Program PWSCF v.5.1.1 starts on 26Oct2015 at 8:59:54 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: ./Al2ZnS4.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 72 46 13 1498 787 126 Max 73 47 14 1499 798 129 Sum 3459 2255 665 71947 38059 6107 bravais-lattice index = 14 lattice parameter (alat) = 23.1693 a.u. unit-cell volume = 931.2917 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 23.169269 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.956123 celldm(5)= 0.956123 celldm(6)= 0.956123 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.956123 0.292965 0.000000 ) a(3) = ( 0.956123 0.143197 0.255584 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.263611 -1.912425 ) b(2) = ( 0.000000 3.413379 -1.912425 ) b(3) = ( 0.000000 0.000000 3.912611 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Al 3.00 26.98150 Al( 1.00) Zn 12.00 65.40900 Zn( 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= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0098039 -0.0319962 -0.0187493), wk = 0.0031949 k( 3) = ( 0.0196078 -0.0639924 -0.0374985), wk = 0.0031949 k( 4) = ( 0.0294118 -0.0959886 -0.0562478), wk = 0.0031949 k( 5) = ( 0.0392157 -0.1279848 -0.0749971), wk = 0.0031949 k( 6) = ( 0.0490196 -0.1599810 -0.0937463), wk = 0.0031949 k( 7) = ( 0.0588235 -0.1919771 -0.1124956), wk = 0.0031949 k( 8) = ( 0.0686275 -0.2239733 -0.1312448), wk = 0.0031949 k( 9) = ( 0.0784314 -0.2559695 -0.1499941), wk = 0.0031949 k( 10) = ( 0.0882353 -0.2879657 -0.1687434), wk = 0.0031949 k( 11) = ( 0.0980392 -0.3199619 -0.1874926), wk = 0.0031949 k( 12) = ( 0.1078431 -0.3519581 -0.2062419), wk = 0.0031949 k( 13) = ( 0.1176471 -0.3839543 -0.2249912), wk = 0.0031949 k( 14) = ( 0.1274510 -0.4159505 -0.2437404), wk = 0.0031949 k( 15) = ( 0.1372549 -0.4479466 -0.2624897), wk = 0.0031949 k( 16) = ( 0.1470588 -0.4799428 -0.2812389), wk = 0.0031949 k( 17) = ( 0.1568627 -0.5119390 -0.2999882), wk = 0.0031949 k( 18) = ( 0.1666667 -0.5439352 -0.3187375), wk = 0.0031949 k( 19) = ( 0.1764706 -0.5759314 -0.3374867), wk = 0.0031949 k( 20) = ( 0.1862745 -0.6079276 -0.3562360), wk = 0.0031949 k( 21) = ( 0.1960784 -0.6399238 -0.3749852), wk = 0.0031949 k( 22) = ( 0.2058823 -0.6719200 -0.3937345), wk = 0.0031949 k( 23) = ( 0.2156863 -0.7039161 -0.4124838), wk = 0.0031949 k( 24) = ( 0.2254902 -0.7359124 -0.4312330), wk = 0.0031949 k( 25) = ( 0.2352941 -0.7679085 -0.4499823), wk = 0.0031949 k( 26) = ( 0.2450980 -0.7999047 -0.4687316), wk = 0.0031949 k( 27) = ( 0.2549020 -0.8319009 -0.4874808), wk = 0.0031949 k( 28) = ( 0.2647059 -0.8638971 -0.5062301), wk = 0.0031949 k( 29) = ( 0.2745098 -0.8958933 -0.5249793), wk = 0.0031949 k( 30) = ( 0.2843137 -0.9278895 -0.5437286), wk = 0.0031949 k( 31) = ( 0.2941177 -0.9598857 -0.5624779), wk = 0.0031949 k( 32) = ( 0.3039216 -0.9918819 -0.5812271), wk = 0.0031949 k( 33) = ( 0.3137255 -1.0238780 -0.5999764), wk = 0.0031949 k( 34) = ( 0.3235294 -1.0558742 -0.6187257), wk = 0.0031949 k( 35) = ( 0.3333333 -1.0878704 -0.6374749), wk = 0.0031949 k( 36) = ( 0.3431373 -1.1198666 -0.6562242), wk = 0.0031949 k( 37) = ( 0.3529412 -1.1518628 -0.6749735), wk = 0.0031949 k( 38) = ( 0.3627451 -1.1838590 -0.6937227), wk = 0.0031949 k( 39) = ( 0.3725490 -1.2158552 -0.7124720), wk = 0.0031949 k( 40) = ( 0.3823529 -1.2478514 -0.7312212), wk = 0.0031949 k( 41) = ( 0.3921569 -1.2798475 -0.7499705), wk = 0.0031949 k( 42) = ( 0.4019608 -1.3118437 -0.7687197), wk = 0.0031949 k( 43) = ( 0.4117647 -1.3438399 -0.7874690), wk = 0.0031949 k( 44) = ( 0.4215686 -1.3758361 -0.8062183), wk = 0.0031949 k( 45) = ( 0.4313726 -1.4078323 -0.8249675), wk = 0.0031949 k( 46) = ( 0.4411765 -1.4398285 -0.8437168), wk = 0.0031949 k( 47) = ( 0.4509804 -1.4718247 -0.8624661), wk = 0.0031949 k( 48) = ( 0.4607843 -1.5038209 -0.8812153), wk = 0.0031949 k( 49) = ( 0.4705882 -1.5358171 -0.8999646), wk = 0.0031949 k( 50) = ( 0.4803922 -1.5678133 -0.9187139), wk = 0.0031949 k( 51) = ( 0.4901961 -1.5998094 -0.9374631), wk = 0.0031949 k( 52) = ( 0.5000000 -1.6318056 -0.9562124), wk = 0.0031949 k( 53) = ( 0.5000000 -1.6318056 -0.9562124), wk = 0.0031949 k( 54) = ( 0.5000000 -1.6122710 -0.9895488), wk = 0.0031949 k( 55) = ( 0.5000000 -1.5927364 -1.0228853), wk = 0.0031949 k( 56) = ( 0.5000000 -1.5732017 -1.0562217), wk = 0.0031949 k( 57) = ( 0.5000000 -1.5536671 -1.0895582), wk = 0.0031949 k( 58) = ( 0.5000000 -1.5341325 -1.1228946), wk = 0.0031949 k( 59) = ( 0.5000000 -1.5145979 -1.1562310), wk = 0.0031949 k( 60) = ( 0.5000000 -1.4950632 -1.1895675), wk = 0.0031949 k( 61) = ( 0.5000000 -1.4755286 -1.2229039), wk = 0.0031949 k( 62) = ( 0.5000000 -1.4559940 -1.2562404), wk = 0.0031949 k( 63) = ( 0.5000000 -1.4364593 -1.2895768), wk = 0.0031949 k( 64) = ( 0.5000000 -1.4169247 -1.3229133), wk = 0.0031949 k( 65) = ( 0.5000000 -1.3973901 -1.3562497), wk = 0.0031949 k( 66) = ( 0.5000000 -1.3778554 -1.3895861), wk = 0.0031949 k( 67) = ( 0.5000000 -1.3583208 -1.4229225), wk = 0.0031949 k( 68) = ( 0.5000000 -1.3387862 -1.4562590), wk = 0.0031949 k( 69) = ( 0.5000000 -1.3192516 -1.4895954), wk = 0.0031949 k( 70) = ( 0.5000000 -1.2997169 -1.5229319), wk = 0.0031949 k( 71) = ( 0.5000000 -1.2801823 -1.5562683), wk = 0.0031949 k( 72) = ( 0.5000000 -1.2606477 -1.5896048), wk = 0.0031949 k( 73) = ( 0.5000000 -1.2411130 -1.6229412), wk = 0.0031949 k( 74) = ( 0.5000000 -1.2215784 -1.6562777), wk = 0.0031949 k( 75) = ( 0.5000000 -1.2020438 -1.6896141), wk = 0.0031949 k( 76) = ( 0.5000000 -1.1825092 -1.7229505), wk = 0.0031949 k( 77) = ( 0.5000000 -1.1629745 -1.7562870), wk = 0.0031949 k( 78) = ( 0.5000000 -1.1434399 -1.7896234), wk = 0.0031949 k( 79) = ( 0.5000000 -1.1239053 -1.8229599), wk = 0.0031949 k( 80) = ( 0.5000000 -1.1043706 -1.8562963), wk = 0.0031949 k( 81) = ( 0.5000000 -1.0848360 -1.8896328), wk = 0.0031949 k( 82) = ( 0.5000000 -1.0653014 -1.9229692), wk = 0.0031949 k( 83) = ( 0.5000000 -1.0457667 -1.9563056), wk = 0.0031949 k( 84) = ( 0.8283112 -0.9965962 -1.8685439), wk = 0.0031949 k( 85) = ( 0.8225514 -0.9777983 -1.8349926), wk = 0.0031949 k( 86) = ( 0.8167915 -0.9590004 -1.8014413), wk = 0.0031949 k( 87) = ( 0.8110317 -0.9402025 -1.7678900), wk = 0.0031949 k( 88) = ( 0.8052719 -0.9214046 -1.7343387), wk = 0.0031949 k( 89) = ( 0.7995120 -0.9026067 -1.7007873), wk = 0.0031949 k( 90) = ( 0.7937522 -0.8838088 -1.6672360), wk = 0.0031949 k( 91) = ( 0.7879923 -0.8650109 -1.6336847), wk = 0.0031949 k( 92) = ( 0.7822325 -0.8462130 -1.6001334), wk = 0.0031949 k( 93) = ( 0.7764726 -0.8274151 -1.5665821), wk = 0.0031949 k( 94) = ( 0.7707128 -0.8086172 -1.5330308), wk = 0.0031949 k( 95) = ( 0.7649529 -0.7898193 -1.4994795), wk = 0.0031949 k( 96) = ( 0.7591931 -0.7710214 -1.4659282), wk = 0.0031949 k( 97) = ( 0.7534332 -0.7522235 -1.4323768), wk = 0.0031949 k( 98) = ( 0.7476734 -0.7334256 -1.3988256), wk = 0.0031949 k( 99) = ( 0.7419135 -0.7146277 -1.3652742), wk = 0.0031949 k( 100) = ( 0.7361537 -0.6958298 -1.3317229), wk = 0.0031949 k( 101) = ( 0.7303939 -0.6770319 -1.2981716), wk = 0.0031949 k( 102) = ( 0.7246340 -0.6582340 -1.2646203), wk = 0.0031949 k( 103) = ( 0.7188742 -0.6394361 -1.2310690), wk = 0.0031949 k( 104) = ( 0.7131143 -0.6206382 -1.1975177), wk = 0.0031949 k( 105) = ( 0.7073545 -0.6018403 -1.1639663), wk = 0.0031949 k( 106) = ( 0.7015946 -0.5830424 -1.1304151), wk = 0.0031949 k( 107) = ( 0.6958348 -0.5642445 -1.0968637), wk = 0.0031949 k( 108) = ( 0.6900749 -0.5454466 -1.0633124), wk = 0.0031949 k( 109) = ( 0.6843151 -0.5266487 -1.0297611), wk = 0.0031949 k( 110) = ( 0.6785552 -0.5078508 -0.9962098), wk = 0.0031949 k( 111) = ( 0.6727954 -0.4890529 -0.9626585), wk = 0.0031949 k( 112) = ( 0.6670355 -0.4702550 -0.9291072), wk = 0.0031949 k( 113) = ( 0.6612757 -0.4514571 -0.8955558), wk = 0.0031949 k( 114) = ( 0.6555159 -0.4326592 -0.8620046), wk = 0.0031949 k( 115) = ( 0.6497560 -0.4138613 -0.8284532), wk = 0.0031949 k( 116) = ( 0.6439962 -0.3950635 -0.7949020), wk = 0.0031949 k( 117) = ( 0.6382363 -0.3762655 -0.7613506), wk = 0.0031949 k( 118) = ( 0.6324765 -0.3574676 -0.7277993), wk = 0.0031949 k( 119) = ( 0.6267166 -0.3386697 -0.6942480), wk = 0.0031949 k( 120) = ( 0.6209568 -0.3198718 -0.6606967), wk = 0.0031949 k( 121) = ( 0.6151969 -0.3010739 -0.6271453), wk = 0.0031949 k( 122) = ( 0.6094371 -0.2822760 -0.5935941), wk = 0.0031949 k( 123) = ( 0.6036772 -0.2634781 -0.5600427), wk = 0.0031949 k( 124) = ( 0.5979174 -0.2446803 -0.5264915), wk = 0.0031949 k( 125) = ( 0.5921575 -0.2258823 -0.4929401), wk = 0.0031949 k( 126) = ( 0.5863977 -0.2070844 -0.4593888), wk = 0.0031949 k( 127) = ( 0.5806379 -0.1882866 -0.4258375), wk = 0.0031949 k( 128) = ( 0.5748780 -0.1694886 -0.3922862), wk = 0.0031949 k( 129) = ( 0.5691181 -0.1506907 -0.3587348), wk = 0.0031949 k( 130) = ( 0.5633583 -0.1318929 -0.3251836), wk = 0.0031949 k( 131) = ( 0.5575985 -0.1130949 -0.2916322), wk = 0.0031949 k( 132) = ( 0.5518386 -0.0942971 -0.2580810), wk = 0.0031949 k( 133) = ( 0.5460788 -0.0754992 -0.2245296), wk = 0.0031949 k( 134) = ( 0.5403189 -0.0567012 -0.1909783), wk = 0.0031949 k( 135) = ( 0.5345591 -0.0379034 -0.1574270), wk = 0.0031949 k( 136) = ( 0.5287992 -0.0191055 -0.1238757), wk = 0.0031949 k( 137) = ( 0.5230394 -0.0003075 -0.0903244), wk = 0.0031949 k( 138) = ( 0.5172795 0.0184903 -0.0567731), wk = 0.0031949 k( 139) = ( 0.5115197 0.0372882 -0.0232217), wk = 0.0031949 k( 140) = ( 0.5057599 0.0560861 0.0103295), wk = 0.0031949 k( 141) = ( 0.5000000 0.0748840 0.0438809), wk = 0.0031949 k( 142) = ( 0.5000000 0.0748840 0.0438809), wk = 0.0031949 k( 143) = ( 0.4642857 0.0695352 0.0407465), wk = 0.0031949 k( 144) = ( 0.4285714 0.0641863 0.0376122), wk = 0.0031949 k( 145) = ( 0.3928571 0.0588375 0.0344778), wk = 0.0031949 k( 146) = ( 0.3571429 0.0534886 0.0313435), wk = 0.0031949 k( 147) = ( 0.3214286 0.0481397 0.0282091), wk = 0.0031949 k( 148) = ( 0.2857143 0.0427909 0.0250748), wk = 0.0031949 k( 149) = ( 0.2500000 0.0374420 0.0219404), wk = 0.0031949 k( 150) = ( 0.2142857 0.0320932 0.0188061), wk = 0.0031949 k( 151) = ( 0.1785714 0.0267443 0.0156717), wk = 0.0031949 k( 152) = ( 0.1428571 0.0213954 0.0125374), wk = 0.0031949 k( 153) = ( 0.1071429 0.0160466 0.0094030), wk = 0.0031949 k( 154) = ( 0.0714286 0.0106977 0.0062687), wk = 0.0031949 k( 155) = ( 0.0357143 0.0053489 0.0031343), wk = 0.0031949 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 158) = ( 0.0056923 -0.0185774 -0.0331577), wk = 0.0031949 k( 159) = ( 0.0113846 -0.0371548 -0.0663155), wk = 0.0031949 k( 160) = ( 0.0170768 -0.0557321 -0.0994731), wk = 0.0031949 k( 161) = ( 0.0227691 -0.0743095 -0.1326309), wk = 0.0031949 k( 162) = ( 0.0284614 -0.0928869 -0.1657886), wk = 0.0031949 k( 163) = ( 0.0341537 -0.1114643 -0.1989464), wk = 0.0031949 k( 164) = ( 0.0398459 -0.1300417 -0.2321040), wk = 0.0031949 k( 165) = ( 0.0455382 -0.1486190 -0.2652618), wk = 0.0031949 k( 166) = ( 0.0512305 -0.1671964 -0.2984195), wk = 0.0031949 k( 167) = ( 0.0569228 -0.1857738 -0.3315772), wk = 0.0031949 k( 168) = ( 0.0626151 -0.2043512 -0.3647349), wk = 0.0031949 k( 169) = ( 0.0683073 -0.2229286 -0.3978927), wk = 0.0031949 k( 170) = ( 0.0739996 -0.2415060 -0.4310504), wk = 0.0031949 k( 171) = ( 0.0796919 -0.2600833 -0.4642081), wk = 0.0031949 k( 172) = ( 0.0853842 -0.2786607 -0.4973659), wk = 0.0031949 k( 173) = ( 0.0910764 -0.2972381 -0.5305235), wk = 0.0031949 k( 174) = ( 0.0967687 -0.3158155 -0.5636813), wk = 0.0031949 k( 175) = ( 0.1024610 -0.3343929 -0.5968390), wk = 0.0031949 k( 176) = ( 0.1081533 -0.3529703 -0.6299968), wk = 0.0031949 k( 177) = ( 0.1138456 -0.3715476 -0.6631544), wk = 0.0031949 k( 178) = ( 0.1195378 -0.3901250 -0.6963122), wk = 0.0031949 k( 179) = ( 0.1252301 -0.4087024 -0.7294699), wk = 0.0031949 k( 180) = ( 0.1309224 -0.4272798 -0.7626276), wk = 0.0031949 k( 181) = ( 0.1366147 -0.4458571 -0.7957853), wk = 0.0031949 k( 182) = ( 0.1423069 -0.4644345 -0.8289431), wk = 0.0031949 k( 183) = ( 0.1479992 -0.4830119 -0.8621008), wk = 0.0031949 k( 184) = ( 0.1536915 -0.5015893 -0.8952585), wk = 0.0031949 k( 185) = ( 0.1593838 -0.5201667 -0.9284163), wk = 0.0031949 k( 186) = ( 0.1650761 -0.5387441 -0.9615739), wk = 0.0031949 k( 187) = ( 0.1707683 -0.5573214 -0.9947317), wk = 0.0031949 k( 188) = ( 0.1764606 -0.5758988 -1.0278894), wk = 0.0031949 k( 189) = ( 0.1821529 -0.5944762 -1.0610471), wk = 0.0031949 k( 190) = ( 0.1878452 -0.6130536 -1.0942048), wk = 0.0031949 k( 191) = ( 0.1935374 -0.6316310 -1.1273626), wk = 0.0031949 k( 192) = ( 0.1992297 -0.6502084 -1.1605203), wk = 0.0031949 k( 193) = ( 0.2049220 -0.6687857 -1.1936780), wk = 0.0031949 k( 194) = ( 0.2106143 -0.6873631 -1.2268357), wk = 0.0031949 k( 195) = ( 0.2163065 -0.7059405 -1.2599934), wk = 0.0031949 k( 196) = ( 0.2219988 -0.7245179 -1.2931512), wk = 0.0031949 k( 197) = ( 0.2276911 -0.7430953 -1.3263089), wk = 0.0031949 k( 198) = ( 0.2333834 -0.7616726 -1.3594666), wk = 0.0031949 k( 199) = ( 0.2390757 -0.7802500 -1.3926243), wk = 0.0031949 k( 200) = ( 0.2447679 -0.7988274 -1.4257821), wk = 0.0031949 k( 201) = ( 0.2504602 -0.8174048 -1.4589398), wk = 0.0031949 k( 202) = ( 0.2561525 -0.8359822 -1.4920975), wk = 0.0031949 k( 203) = ( 0.2618448 -0.8545595 -1.5252552), wk = 0.0031949 k( 204) = ( 0.2675370 -0.8731369 -1.5584130), wk = 0.0031949 k( 205) = ( 0.2732293 -0.8917143 -1.5915707), wk = 0.0031949 k( 206) = ( 0.2789216 -0.9102917 -1.6247284), wk = 0.0031949 k( 207) = ( 0.2846139 -0.9288691 -1.6578861), wk = 0.0031949 k( 208) = ( 0.2903062 -0.9474464 -1.6910438), wk = 0.0031949 k( 209) = ( 0.2959984 -0.9660238 -1.7242016), wk = 0.0031949 k( 210) = ( 0.3016907 -0.9846012 -1.7573593), wk = 0.0031949 k( 211) = ( 0.3073830 -1.0031786 -1.7905170), wk = 0.0031949 k( 212) = ( 0.3130753 -1.0217560 -1.8236747), wk = 0.0031949 k( 213) = ( 0.3187676 -1.0403334 -1.8568325), wk = 0.0031949 k( 214) = ( 0.3244598 -1.0589107 -1.8899902), wk = 0.0031949 k( 215) = ( 0.3301521 -1.0774881 -1.9231479), wk = 0.0031949 k( 216) = ( 0.3358444 -1.0960655 -1.9563056), wk = 0.0031949 k( 217) = ( 0.6641556 -1.0211815 -1.9124248), wk = 0.0031949 k( 218) = ( 0.6584951 -0.9833861 -1.9124248), wk = 0.0031949 k( 219) = ( 0.6528345 -0.9455907 -1.9124248), wk = 0.0031949 k( 220) = ( 0.6471740 -0.9077954 -1.9124248), wk = 0.0031949 k( 221) = ( 0.6415135 -0.8700000 -1.9124248), wk = 0.0031949 k( 222) = ( 0.6358529 -0.8322046 -1.9124248), wk = 0.0031949 k( 223) = ( 0.6301924 -0.7944093 -1.9124248), wk = 0.0031949 k( 224) = ( 0.6245318 -0.7566140 -1.9124248), wk = 0.0031949 k( 225) = ( 0.6188713 -0.7188186 -1.9124248), wk = 0.0031949 k( 226) = ( 0.6132108 -0.6810232 -1.9124248), wk = 0.0031949 k( 227) = ( 0.6075502 -0.6432278 -1.9124248), wk = 0.0031949 k( 228) = ( 0.6018897 -0.6054325 -1.9124248), wk = 0.0031949 k( 229) = ( 0.5962291 -0.5676371 -1.9124248), wk = 0.0031949 k( 230) = ( 0.5905686 -0.5298418 -1.9124248), wk = 0.0031949 k( 231) = ( 0.5849081 -0.4920464 -1.9124248), wk = 0.0031949 k( 232) = ( 0.5792475 -0.4542510 -1.9124248), wk = 0.0031949 k( 233) = ( 0.5735870 -0.4164557 -1.9124248), wk = 0.0031949 k( 234) = ( 0.5679265 -0.3786603 -1.9124248), wk = 0.0031949 k( 235) = ( 0.5622659 -0.3408649 -1.9124248), wk = 0.0031949 k( 236) = ( 0.5566054 -0.3030696 -1.9124248), wk = 0.0031949 k( 237) = ( 0.5509449 -0.2652742 -1.9124248), wk = 0.0031949 k( 238) = ( 0.5452843 -0.2274789 -1.9124248), wk = 0.0031949 k( 239) = ( 0.5396238 -0.1896835 -1.9124248), wk = 0.0031949 k( 240) = ( 0.5339632 -0.1518881 -1.9124248), wk = 0.0031949 k( 241) = ( 0.5283027 -0.1140928 -1.9124248), wk = 0.0031949 k( 242) = ( 0.5226422 -0.0762974 -1.9124248), wk = 0.0031949 k( 243) = ( 0.5169816 -0.0385021 -1.9124248), wk = 0.0031949 k( 244) = ( 0.5113211 -0.0007067 -1.9124248), wk = 0.0031949 k( 245) = ( 0.5056605 0.0370887 -1.9124248), wk = 0.0031949 k( 246) = ( 0.5000000 0.0748840 -1.9124248), wk = 0.0031949 k( 247) = ( 0.5000000 0.0748840 -1.9124248), wk = 0.0031949 k( 248) = ( 0.5328311 0.0798011 -1.9036486), wk = 0.0031949 k( 249) = ( 0.5656623 0.0847181 -1.8948724), wk = 0.0031949 k( 250) = ( 0.5984934 0.0896352 -1.8860962), wk = 0.0031949 k( 251) = ( 0.6313245 0.0945523 -1.8773201), wk = 0.0031949 k( 252) = ( 0.6641556 0.0994693 -1.8685439), wk = 0.0031949 k( 253) = ( 0.6641556 0.0994693 -1.8685439), wk = 0.0031949 k( 254) = ( 0.6608725 0.0989776 -1.8302954), wk = 0.0031949 k( 255) = ( 0.6575894 0.0984859 -1.7920469), wk = 0.0031949 k( 256) = ( 0.6543063 0.0979942 -1.7537984), wk = 0.0031949 k( 257) = ( 0.6510232 0.0975025 -1.7155499), wk = 0.0031949 k( 258) = ( 0.6477401 0.0970108 -1.6773014), wk = 0.0031949 k( 259) = ( 0.6444569 0.0965191 -1.6390529), wk = 0.0031949 k( 260) = ( 0.6411738 0.0960274 -1.6008044), wk = 0.0031949 k( 261) = ( 0.6378907 0.0955357 -1.5625560), wk = 0.0031949 k( 262) = ( 0.6346076 0.0950440 -1.5243074), wk = 0.0031949 k( 263) = ( 0.6313245 0.0945523 -1.4860589), wk = 0.0031949 k( 264) = ( 0.6280414 0.0940605 -1.4478104), wk = 0.0031949 k( 265) = ( 0.6247583 0.0935688 -1.4095620), wk = 0.0031949 k( 266) = ( 0.6214752 0.0930771 -1.3713135), wk = 0.0031949 k( 267) = ( 0.6181920 0.0925854 -1.3330650), wk = 0.0031949 k( 268) = ( 0.6149089 0.0920937 -1.2948164), wk = 0.0031949 k( 269) = ( 0.6116258 0.0916020 -1.2565680), wk = 0.0031949 k( 270) = ( 0.6083427 0.0911103 -1.2183195), wk = 0.0031949 k( 271) = ( 0.6050596 0.0906186 -1.1800710), wk = 0.0031949 k( 272) = ( 0.6017765 0.0901269 -1.1418225), wk = 0.0031949 k( 273) = ( 0.5984934 0.0896352 -1.1035740), wk = 0.0031949 k( 274) = ( 0.5952103 0.0891435 -1.0653255), wk = 0.0031949 k( 275) = ( 0.5919271 0.0886518 -1.0270770), wk = 0.0031949 k( 276) = ( 0.5886440 0.0881601 -0.9888285), wk = 0.0031949 k( 277) = ( 0.5853609 0.0876684 -0.9505800), wk = 0.0031949 k( 278) = ( 0.5820778 0.0871767 -0.9123315), wk = 0.0031949 k( 279) = ( 0.5787947 0.0866850 -0.8740830), wk = 0.0031949 k( 280) = ( 0.5755116 0.0861933 -0.8358345), wk = 0.0031949 k( 281) = ( 0.5722285 0.0857016 -0.7975860), wk = 0.0031949 k( 282) = ( 0.5689454 0.0852098 -0.7593375), wk = 0.0031949 k( 283) = ( 0.5656623 0.0847181 -0.7210890), wk = 0.0031949 k( 284) = ( 0.5623791 0.0842264 -0.6828405), wk = 0.0031949 k( 285) = ( 0.5590960 0.0837347 -0.6445920), wk = 0.0031949 k( 286) = ( 0.5558129 0.0832430 -0.6063436), wk = 0.0031949 k( 287) = ( 0.5525298 0.0827513 -0.5680950), wk = 0.0031949 k( 288) = ( 0.5492467 0.0822596 -0.5298466), wk = 0.0031949 k( 289) = ( 0.5459636 0.0817679 -0.4915981), wk = 0.0031949 k( 290) = ( 0.5426805 0.0812762 -0.4533496), wk = 0.0031949 k( 291) = ( 0.5393973 0.0807845 -0.4151011), wk = 0.0031949 k( 292) = ( 0.5361142 0.0802928 -0.3768526), wk = 0.0031949 k( 293) = ( 0.5328311 0.0798011 -0.3386041), wk = 0.0031949 k( 294) = ( 0.5295480 0.0793094 -0.3003556), wk = 0.0031949 k( 295) = ( 0.5262649 0.0788177 -0.2621071), wk = 0.0031949 k( 296) = ( 0.5229818 0.0783260 -0.2238586), wk = 0.0031949 k( 297) = ( 0.5196987 0.0778343 -0.1856101), wk = 0.0031949 k( 298) = ( 0.5164156 0.0773426 -0.1473616), wk = 0.0031949 k( 299) = ( 0.5131324 0.0768509 -0.1091131), wk = 0.0031949 k( 300) = ( 0.5098493 0.0763592 -0.0708646), wk = 0.0031949 k( 301) = ( 0.5065662 0.0758674 -0.0326161), wk = 0.0031949 k( 302) = ( 0.5032831 0.0753757 0.0056324), wk = 0.0031949 k( 303) = ( 0.5000000 0.0748840 0.0438809), wk = 0.0031949 k( 304) = ( 0.5000000 -1.6318056 -0.9562124), wk = 0.0031949 k( 305) = ( 0.5364790 -1.6234852 -0.9513367), wk = 0.0031949 k( 306) = ( 0.5729580 -1.6151647 -0.9464611), wk = 0.0031949 k( 307) = ( 0.6094371 -1.6068443 -0.9415854), wk = 0.0031949 k( 308) = ( 0.6459161 -1.5985238 -0.9367098), wk = 0.0031949 k( 309) = ( 0.6823951 -1.5902034 -0.9318341), wk = 0.0031949 k( 310) = ( 0.7188742 -1.5818829 -0.9269585), wk = 0.0031949 k( 311) = ( 0.7553532 -1.5735625 -0.9220828), wk = 0.0031949 k( 312) = ( 0.7918322 -1.5652420 -0.9172072), wk = 0.0031949 k( 313) = ( 0.8283112 -1.5569216 -0.9123315), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0098039 -0.0000000 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0196078 -0.0000000 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0392157 0.0000000 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0490196 0.0000000 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0686275 -0.0000000 -0.0000000), wk = 0.0031949 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0031949 k( 10) = ( 0.0882353 0.0000000 -0.0000000), wk = 0.0031949 k( 11) = ( 0.0980392 0.0000000 -0.0000000), wk = 0.0031949 k( 12) = ( 0.1078431 0.0000000 -0.0000000), wk = 0.0031949 k( 13) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0031949 k( 14) = ( 0.1274510 0.0000000 -0.0000000), wk = 0.0031949 k( 15) = ( 0.1372549 -0.0000000 -0.0000000), wk = 0.0031949 k( 16) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0031949 k( 17) = ( 0.1568627 0.0000000 -0.0000000), wk = 0.0031949 k( 18) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0031949 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0031949 k( 20) = ( 0.1862745 -0.0000000 -0.0000000), wk = 0.0031949 k( 21) = ( 0.1960784 0.0000000 -0.0000000), wk = 0.0031949 k( 22) = ( 0.2058823 0.0000000 -0.0000000), wk = 0.0031949 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0031949 k( 24) = ( 0.2254902 0.0000000 -0.0000000), wk = 0.0031949 k( 25) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0031949 k( 26) = ( 0.2450980 0.0000000 -0.0000000), wk = 0.0031949 k( 27) = ( 0.2549020 0.0000000 -0.0000000), wk = 0.0031949 k( 28) = ( 0.2647059 0.0000000 -0.0000000), wk = 0.0031949 k( 29) = ( 0.2745098 -0.0000000 -0.0000000), wk = 0.0031949 k( 30) = ( 0.2843137 0.0000000 -0.0000000), wk = 0.0031949 k( 31) = ( 0.2941177 0.0000000 -0.0000000), wk = 0.0031949 k( 32) = ( 0.3039216 0.0000000 -0.0000000), wk = 0.0031949 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0031949 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0031949 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0031949 k( 36) = ( 0.3431373 -0.0000000 -0.0000000), wk = 0.0031949 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0031949 k( 38) = ( 0.3627451 -0.0000000 -0.0000000), wk = 0.0031949 k( 39) = ( 0.3725490 -0.0000000 -0.0000000), wk = 0.0031949 k( 40) = ( 0.3823529 0.0000000 -0.0000000), wk = 0.0031949 k( 41) = ( 0.3921569 0.0000000 -0.0000000), wk = 0.0031949 k( 42) = ( 0.4019608 0.0000000 -0.0000000), wk = 0.0031949 k( 43) = ( 0.4117647 0.0000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.4313726 0.0000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.4509804 -0.0000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.4607843 -0.0000000 -0.0000000), wk = 0.0031949 k( 49) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.4803922 -0.0000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.4901961 0.0000000 -0.0000000), wk = 0.0031949 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031949 k( 53) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031949 k( 54) = ( 0.5000000 0.0057230 -0.0057230), wk = 0.0031949 k( 55) = ( 0.5000000 0.0114459 -0.0114459), wk = 0.0031949 k( 56) = ( 0.5000000 0.0171689 -0.0171689), wk = 0.0031949 k( 57) = ( 0.5000000 0.0228918 -0.0228918), wk = 0.0031949 k( 58) = ( 0.5000000 0.0286148 -0.0286148), wk = 0.0031949 k( 59) = ( 0.5000000 0.0343378 -0.0343378), wk = 0.0031949 k( 60) = ( 0.5000000 0.0400607 -0.0400607), wk = 0.0031949 k( 61) = ( 0.5000000 0.0457837 -0.0457837), wk = 0.0031949 k( 62) = ( 0.5000000 0.0515066 -0.0515066), wk = 0.0031949 k( 63) = ( 0.5000000 0.0572296 -0.0572296), wk = 0.0031949 k( 64) = ( 0.5000000 0.0629525 -0.0629526), wk = 0.0031949 k( 65) = ( 0.5000000 0.0686755 -0.0686755), wk = 0.0031949 k( 66) = ( 0.5000000 0.0743985 -0.0743985), wk = 0.0031949 k( 67) = ( 0.5000000 0.0801214 -0.0801214), wk = 0.0031949 k( 68) = ( 0.5000000 0.0858444 -0.0858444), wk = 0.0031949 k( 69) = ( 0.5000000 0.0915673 -0.0915673), wk = 0.0031949 k( 70) = ( 0.5000000 0.0972903 -0.0972903), wk = 0.0031949 k( 71) = ( 0.5000000 0.1030133 -0.1030133), wk = 0.0031949 k( 72) = ( 0.5000000 0.1087362 -0.1087362), wk = 0.0031949 k( 73) = ( 0.5000000 0.1144592 -0.1144592), wk = 0.0031949 k( 74) = ( 0.5000000 0.1201821 -0.1201821), wk = 0.0031949 k( 75) = ( 0.5000000 0.1259051 -0.1259051), wk = 0.0031949 k( 76) = ( 0.5000000 0.1316280 -0.1316281), wk = 0.0031949 k( 77) = ( 0.5000000 0.1373510 -0.1373510), wk = 0.0031949 k( 78) = ( 0.5000000 0.1430740 -0.1430740), wk = 0.0031949 k( 79) = ( 0.5000000 0.1487969 -0.1487969), wk = 0.0031949 k( 80) = ( 0.5000000 0.1545199 -0.1545199), wk = 0.0031949 k( 81) = ( 0.5000000 0.1602428 -0.1602428), wk = 0.0031949 k( 82) = ( 0.5000000 0.1659658 -0.1659658), wk = 0.0031949 k( 83) = ( 0.5000000 0.1716888 -0.1716888), wk = 0.0031949 k( 84) = ( 0.8283112 0.5000000 0.1716888), wk = 0.0031949 k( 85) = ( 0.8225514 0.5000000 0.1774486), wk = 0.0031949 k( 86) = ( 0.8167915 0.5000000 0.1832085), wk = 0.0031949 k( 87) = ( 0.8110317 0.5000000 0.1889683), wk = 0.0031949 k( 88) = ( 0.8052719 0.5000000 0.1947281), wk = 0.0031949 k( 89) = ( 0.7995120 0.5000000 0.2004880), wk = 0.0031949 k( 90) = ( 0.7937522 0.5000000 0.2062478), wk = 0.0031949 k( 91) = ( 0.7879923 0.5000000 0.2120077), wk = 0.0031949 k( 92) = ( 0.7822325 0.5000000 0.2177675), wk = 0.0031949 k( 93) = ( 0.7764726 0.5000000 0.2235274), wk = 0.0031949 k( 94) = ( 0.7707128 0.5000000 0.2292872), wk = 0.0031949 k( 95) = ( 0.7649529 0.5000000 0.2350471), wk = 0.0031949 k( 96) = ( 0.7591931 0.5000000 0.2408069), wk = 0.0031949 k( 97) = ( 0.7534332 0.5000000 0.2465668), wk = 0.0031949 k( 98) = ( 0.7476734 0.5000000 0.2523266), wk = 0.0031949 k( 99) = ( 0.7419135 0.5000000 0.2580865), wk = 0.0031949 k( 100) = ( 0.7361537 0.5000000 0.2638463), wk = 0.0031949 k( 101) = ( 0.7303939 0.5000000 0.2696061), wk = 0.0031949 k( 102) = ( 0.7246340 0.5000000 0.2753660), wk = 0.0031949 k( 103) = ( 0.7188742 0.5000000 0.2811258), wk = 0.0031949 k( 104) = ( 0.7131143 0.5000000 0.2868857), wk = 0.0031949 k( 105) = ( 0.7073545 0.5000000 0.2926455), wk = 0.0031949 k( 106) = ( 0.7015946 0.5000000 0.2984054), wk = 0.0031949 k( 107) = ( 0.6958348 0.5000000 0.3041652), wk = 0.0031949 k( 108) = ( 0.6900749 0.5000000 0.3099251), wk = 0.0031949 k( 109) = ( 0.6843151 0.5000000 0.3156849), wk = 0.0031949 k( 110) = ( 0.6785552 0.5000000 0.3214448), wk = 0.0031949 k( 111) = ( 0.6727954 0.5000000 0.3272046), wk = 0.0031949 k( 112) = ( 0.6670355 0.5000000 0.3329645), wk = 0.0031949 k( 113) = ( 0.6612757 0.5000000 0.3387243), wk = 0.0031949 k( 114) = ( 0.6555159 0.5000000 0.3444842), wk = 0.0031949 k( 115) = ( 0.6497560 0.5000000 0.3502440), wk = 0.0031949 k( 116) = ( 0.6439962 0.5000000 0.3560038), wk = 0.0031949 k( 117) = ( 0.6382363 0.5000000 0.3617637), wk = 0.0031949 k( 118) = ( 0.6324765 0.5000000 0.3675235), wk = 0.0031949 k( 119) = ( 0.6267166 0.5000000 0.3732834), wk = 0.0031949 k( 120) = ( 0.6209568 0.5000000 0.3790432), wk = 0.0031949 k( 121) = ( 0.6151969 0.5000000 0.3848031), wk = 0.0031949 k( 122) = ( 0.6094371 0.5000000 0.3905629), wk = 0.0031949 k( 123) = ( 0.6036772 0.5000000 0.3963228), wk = 0.0031949 k( 124) = ( 0.5979174 0.5000000 0.4020826), wk = 0.0031949 k( 125) = ( 0.5921575 0.5000000 0.4078425), wk = 0.0031949 k( 126) = ( 0.5863977 0.5000000 0.4136023), wk = 0.0031949 k( 127) = ( 0.5806379 0.5000000 0.4193621), wk = 0.0031949 k( 128) = ( 0.5748780 0.5000000 0.4251220), wk = 0.0031949 k( 129) = ( 0.5691181 0.5000000 0.4308819), wk = 0.0031949 k( 130) = ( 0.5633583 0.5000000 0.4366417), wk = 0.0031949 k( 131) = ( 0.5575985 0.5000000 0.4424015), wk = 0.0031949 k( 132) = ( 0.5518386 0.5000000 0.4481614), wk = 0.0031949 k( 133) = ( 0.5460788 0.5000000 0.4539212), wk = 0.0031949 k( 134) = ( 0.5403189 0.5000000 0.4596811), wk = 0.0031949 k( 135) = ( 0.5345591 0.5000000 0.4654409), wk = 0.0031949 k( 136) = ( 0.5287992 0.5000000 0.4712008), wk = 0.0031949 k( 137) = ( 0.5230394 0.5000000 0.4769606), wk = 0.0031949 k( 138) = ( 0.5172795 0.5000000 0.4827205), wk = 0.0031949 k( 139) = ( 0.5115197 0.5000000 0.4884803), wk = 0.0031949 k( 140) = ( 0.5057599 0.5000000 0.4942401), wk = 0.0031949 k( 141) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 143) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 144) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 145) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 146) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 147) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 149) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 150) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 151) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 152) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 153) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 154) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 155) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 158) = ( 0.0056923 0.0000000 -0.0056923), wk = 0.0031949 k( 159) = ( 0.0113846 0.0000000 -0.0113846), wk = 0.0031949 k( 160) = ( 0.0170768 0.0000000 -0.0170768), wk = 0.0031949 k( 161) = ( 0.0227691 0.0000000 -0.0227691), wk = 0.0031949 k( 162) = ( 0.0284614 0.0000000 -0.0284614), wk = 0.0031949 k( 163) = ( 0.0341537 0.0000000 -0.0341537), wk = 0.0031949 k( 164) = ( 0.0398459 0.0000000 -0.0398459), wk = 0.0031949 k( 165) = ( 0.0455382 0.0000000 -0.0455382), wk = 0.0031949 k( 166) = ( 0.0512305 0.0000000 -0.0512305), wk = 0.0031949 k( 167) = ( 0.0569228 0.0000000 -0.0569228), wk = 0.0031949 k( 168) = ( 0.0626151 0.0000000 -0.0626151), wk = 0.0031949 k( 169) = ( 0.0683073 0.0000000 -0.0683073), wk = 0.0031949 k( 170) = ( 0.0739996 0.0000000 -0.0739996), wk = 0.0031949 k( 171) = ( 0.0796919 0.0000000 -0.0796919), wk = 0.0031949 k( 172) = ( 0.0853842 0.0000000 -0.0853842), wk = 0.0031949 k( 173) = ( 0.0910764 0.0000000 -0.0910764), wk = 0.0031949 k( 174) = ( 0.0967687 -0.0000000 -0.0967687), wk = 0.0031949 k( 175) = ( 0.1024610 0.0000000 -0.1024610), wk = 0.0031949 k( 176) = ( 0.1081533 0.0000000 -0.1081533), wk = 0.0031949 k( 177) = ( 0.1138456 0.0000000 -0.1138456), wk = 0.0031949 k( 178) = ( 0.1195378 -0.0000000 -0.1195378), wk = 0.0031949 k( 179) = ( 0.1252301 0.0000000 -0.1252301), wk = 0.0031949 k( 180) = ( 0.1309224 -0.0000000 -0.1309224), wk = 0.0031949 k( 181) = ( 0.1366147 0.0000000 -0.1366147), wk = 0.0031949 k( 182) = ( 0.1423069 0.0000000 -0.1423069), wk = 0.0031949 k( 183) = ( 0.1479992 0.0000000 -0.1479992), wk = 0.0031949 k( 184) = ( 0.1536915 -0.0000000 -0.1536915), wk = 0.0031949 k( 185) = ( 0.1593838 0.0000000 -0.1593838), wk = 0.0031949 k( 186) = ( 0.1650761 0.0000000 -0.1650761), wk = 0.0031949 k( 187) = ( 0.1707683 0.0000000 -0.1707683), wk = 0.0031949 k( 188) = ( 0.1764606 0.0000000 -0.1764606), wk = 0.0031949 k( 189) = ( 0.1821529 0.0000000 -0.1821529), wk = 0.0031949 k( 190) = ( 0.1878452 0.0000000 -0.1878452), wk = 0.0031949 k( 191) = ( 0.1935374 -0.0000000 -0.1935374), wk = 0.0031949 k( 192) = ( 0.1992297 -0.0000000 -0.1992297), wk = 0.0031949 k( 193) = ( 0.2049220 0.0000000 -0.2049220), wk = 0.0031949 k( 194) = ( 0.2106143 0.0000000 -0.2106143), wk = 0.0031949 k( 195) = ( 0.2163065 0.0000000 -0.2163066), wk = 0.0031949 k( 196) = ( 0.2219988 0.0000000 -0.2219988), wk = 0.0031949 k( 197) = ( 0.2276911 0.0000000 -0.2276911), wk = 0.0031949 k( 198) = ( 0.2333834 0.0000000 -0.2333834), wk = 0.0031949 k( 199) = ( 0.2390757 -0.0000000 -0.2390757), wk = 0.0031949 k( 200) = ( 0.2447679 -0.0000000 -0.2447679), wk = 0.0031949 k( 201) = ( 0.2504602 0.0000000 -0.2504602), wk = 0.0031949 k( 202) = ( 0.2561525 0.0000000 -0.2561525), wk = 0.0031949 k( 203) = ( 0.2618448 0.0000000 -0.2618448), wk = 0.0031949 k( 204) = ( 0.2675370 0.0000000 -0.2675371), wk = 0.0031949 k( 205) = ( 0.2732293 -0.0000000 -0.2732293), wk = 0.0031949 k( 206) = ( 0.2789216 0.0000000 -0.2789216), wk = 0.0031949 k( 207) = ( 0.2846139 0.0000000 -0.2846139), wk = 0.0031949 k( 208) = ( 0.2903062 0.0000000 -0.2903062), wk = 0.0031949 k( 209) = ( 0.2959984 0.0000000 -0.2959984), wk = 0.0031949 k( 210) = ( 0.3016907 0.0000000 -0.3016907), wk = 0.0031949 k( 211) = ( 0.3073830 0.0000000 -0.3073830), wk = 0.0031949 k( 212) = ( 0.3130753 -0.0000000 -0.3130753), wk = 0.0031949 k( 213) = ( 0.3187676 0.0000000 -0.3187676), wk = 0.0031949 k( 214) = ( 0.3244598 0.0000000 -0.3244598), wk = 0.0031949 k( 215) = ( 0.3301521 0.0000000 -0.3301521), wk = 0.0031949 k( 216) = ( 0.3358444 0.0000000 -0.3358444), wk = 0.0031949 k( 217) = ( 0.6641556 0.3358444 -0.0000000), wk = 0.0031949 k( 218) = ( 0.6584951 0.3415049 0.0000000), wk = 0.0031949 k( 219) = ( 0.6528345 0.3471655 -0.0000000), wk = 0.0031949 k( 220) = ( 0.6471740 0.3528260 -0.0000000), wk = 0.0031949 k( 221) = ( 0.6415135 0.3584865 -0.0000000), wk = 0.0031949 k( 222) = ( 0.6358529 0.3641471 -0.0000000), wk = 0.0031949 k( 223) = ( 0.6301924 0.3698076 -0.0000000), wk = 0.0031949 k( 224) = ( 0.6245318 0.3754681 -0.0000000), wk = 0.0031949 k( 225) = ( 0.6188713 0.3811287 -0.0000000), wk = 0.0031949 k( 226) = ( 0.6132108 0.3867892 0.0000000), wk = 0.0031949 k( 227) = ( 0.6075502 0.3924498 -0.0000000), wk = 0.0031949 k( 228) = ( 0.6018897 0.3981103 0.0000000), wk = 0.0031949 k( 229) = ( 0.5962291 0.4037709 0.0000000), wk = 0.0031949 k( 230) = ( 0.5905686 0.4094314 0.0000000), wk = 0.0031949 k( 231) = ( 0.5849081 0.4150919 -0.0000000), wk = 0.0031949 k( 232) = ( 0.5792475 0.4207525 0.0000000), wk = 0.0031949 k( 233) = ( 0.5735870 0.4264130 -0.0000000), wk = 0.0031949 k( 234) = ( 0.5679265 0.4320735 -0.0000000), wk = 0.0031949 k( 235) = ( 0.5622659 0.4377341 0.0000000), wk = 0.0031949 k( 236) = ( 0.5566054 0.4433946 -0.0000000), wk = 0.0031949 k( 237) = ( 0.5509449 0.4490552 -0.0000000), wk = 0.0031949 k( 238) = ( 0.5452843 0.4547157 0.0000000), wk = 0.0031949 k( 239) = ( 0.5396238 0.4603762 -0.0000000), wk = 0.0031949 k( 240) = ( 0.5339632 0.4660368 -0.0000000), wk = 0.0031949 k( 241) = ( 0.5283027 0.4716973 0.0000000), wk = 0.0031949 k( 242) = ( 0.5226422 0.4773578 -0.0000000), wk = 0.0031949 k( 243) = ( 0.5169816 0.4830184 -0.0000000), wk = 0.0031949 k( 244) = ( 0.5113211 0.4886789 0.0000000), wk = 0.0031949 k( 245) = ( 0.5056605 0.4943395 -0.0000000), wk = 0.0031949 k( 246) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 247) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 248) = ( 0.5328311 0.5328311 0.0343378), wk = 0.0031949 k( 249) = ( 0.5656623 0.5656623 0.0686755), wk = 0.0031949 k( 250) = ( 0.5984934 0.5984934 0.1030133), wk = 0.0031949 k( 251) = ( 0.6313245 0.6313245 0.1373510), wk = 0.0031949 k( 252) = ( 0.6641556 0.6641556 0.1716888), wk = 0.0031949 k( 253) = ( 0.6641556 0.6641556 0.1716888), wk = 0.0031949 k( 254) = ( 0.6608725 0.6608725 0.1782550), wk = 0.0031949 k( 255) = ( 0.6575894 0.6575894 0.1848212), wk = 0.0031949 k( 256) = ( 0.6543063 0.6543063 0.1913874), wk = 0.0031949 k( 257) = ( 0.6510232 0.6510232 0.1979537), wk = 0.0031949 k( 258) = ( 0.6477401 0.6477401 0.2045199), wk = 0.0031949 k( 259) = ( 0.6444569 0.6444569 0.2110861), wk = 0.0031949 k( 260) = ( 0.6411738 0.6411738 0.2176523), wk = 0.0031949 k( 261) = ( 0.6378907 0.6378907 0.2242186), wk = 0.0031949 k( 262) = ( 0.6346076 0.6346076 0.2307848), wk = 0.0031949 k( 263) = ( 0.6313245 0.6313245 0.2373510), wk = 0.0031949 k( 264) = ( 0.6280414 0.6280414 0.2439172), wk = 0.0031949 k( 265) = ( 0.6247583 0.6247583 0.2504835), wk = 0.0031949 k( 266) = ( 0.6214752 0.6214752 0.2570497), wk = 0.0031949 k( 267) = ( 0.6181920 0.6181920 0.2636159), wk = 0.0031949 k( 268) = ( 0.6149089 0.6149089 0.2701821), wk = 0.0031949 k( 269) = ( 0.6116258 0.6116258 0.2767484), wk = 0.0031949 k( 270) = ( 0.6083427 0.6083427 0.2833146), wk = 0.0031949 k( 271) = ( 0.6050596 0.6050596 0.2898808), wk = 0.0031949 k( 272) = ( 0.6017765 0.6017765 0.2964470), wk = 0.0031949 k( 273) = ( 0.5984934 0.5984934 0.3030133), wk = 0.0031949 k( 274) = ( 0.5952103 0.5952103 0.3095795), wk = 0.0031949 k( 275) = ( 0.5919271 0.5919271 0.3161457), wk = 0.0031949 k( 276) = ( 0.5886440 0.5886440 0.3227119), wk = 0.0031949 k( 277) = ( 0.5853609 0.5853609 0.3292782), wk = 0.0031949 k( 278) = ( 0.5820778 0.5820778 0.3358444), wk = 0.0031949 k( 279) = ( 0.5787947 0.5787947 0.3424106), wk = 0.0031949 k( 280) = ( 0.5755116 0.5755116 0.3489768), wk = 0.0031949 k( 281) = ( 0.5722285 0.5722285 0.3555431), wk = 0.0031949 k( 282) = ( 0.5689454 0.5689454 0.3621093), wk = 0.0031949 k( 283) = ( 0.5656623 0.5656623 0.3686755), wk = 0.0031949 k( 284) = ( 0.5623791 0.5623791 0.3752417), wk = 0.0031949 k( 285) = ( 0.5590960 0.5590960 0.3818080), wk = 0.0031949 k( 286) = ( 0.5558129 0.5558129 0.3883742), wk = 0.0031949 k( 287) = ( 0.5525298 0.5525298 0.3949404), wk = 0.0031949 k( 288) = ( 0.5492467 0.5492467 0.4015066), wk = 0.0031949 k( 289) = ( 0.5459636 0.5459636 0.4080728), wk = 0.0031949 k( 290) = ( 0.5426805 0.5426805 0.4146391), wk = 0.0031949 k( 291) = ( 0.5393973 0.5393973 0.4212053), wk = 0.0031949 k( 292) = ( 0.5361142 0.5361142 0.4277715), wk = 0.0031949 k( 293) = ( 0.5328311 0.5328311 0.4343377), wk = 0.0031949 k( 294) = ( 0.5295480 0.5295480 0.4409040), wk = 0.0031949 k( 295) = ( 0.5262649 0.5262649 0.4474702), wk = 0.0031949 k( 296) = ( 0.5229818 0.5229818 0.4540364), wk = 0.0031949 k( 297) = ( 0.5196987 0.5196987 0.4606027), wk = 0.0031949 k( 298) = ( 0.5164156 0.5164156 0.4671689), wk = 0.0031949 k( 299) = ( 0.5131324 0.5131324 0.4737351), wk = 0.0031949 k( 300) = ( 0.5098493 0.5098493 0.4803013), wk = 0.0031949 k( 301) = ( 0.5065662 0.5065662 0.4868675), wk = 0.0031949 k( 302) = ( 0.5032831 0.5032831 0.4934338), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 304) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031949 k( 305) = ( 0.5364790 0.0373160 0.0373160), wk = 0.0031949 k( 306) = ( 0.5729580 0.0746321 0.0746321), wk = 0.0031949 k( 307) = ( 0.6094371 0.1119481 0.1119481), wk = 0.0031949 k( 308) = ( 0.6459161 0.1492642 0.1492642), wk = 0.0031949 k( 309) = ( 0.6823951 0.1865802 0.1865802), wk = 0.0031949 k( 310) = ( 0.7188742 0.2238963 0.2238963), wk = 0.0031949 k( 311) = ( 0.7553532 0.2612123 0.2612123), wk = 0.0031949 k( 312) = ( 0.7918322 0.2985283 0.2985283), wk = 0.0031949 k( 313) = ( 0.8283112 0.3358444 0.3358444), wk = 0.0031949 Dense grid: 71947 G-vectors FFT dimensions: ( 125, 125, 125) Smooth grid: 38059 G-vectors FFT dimensions: ( 100, 100, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 202, 50) NL pseudopotentials 0.37 Mb ( 101, 238) Each V/rho on FFT grid 0.72 Mb ( 46875) Each G-vector array 0.01 Mb ( 1499) G-vector shells 0.01 Mb ( 1303) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 202, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.36 Mb ( 238, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Al2ZnS4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 53.5 secs Computing kpt #: 2 total cpu time spent up to now is 62.8 secs Computing kpt #: 3 total cpu time spent up to now is 72.1 secs Computing kpt #: 4 total cpu time spent up to now is 81.5 secs Computing kpt #: 5 total cpu time spent up to now is 89.4 secs Computing kpt #: 6 total cpu time spent up to now is 97.3 secs Computing kpt #: 7 total cpu time spent up to now is 105.2 secs Computing kpt #: 8 total cpu time spent up to now is 112.9 secs Computing kpt #: 9 total cpu time spent up to now is 120.7 secs Computing kpt #: 10 total cpu time spent up to now is 128.4 secs Computing kpt #: 11 total cpu time spent up to now is 136.3 secs Computing kpt #: 12 total cpu time spent up to now is 146.9 secs Computing kpt #: 13 total cpu time spent up to now is 154.6 secs Computing kpt #: 14 total cpu time spent up to now is 162.4 secs Computing kpt #: 15 total cpu time spent up to now is 170.1 secs Computing kpt #: 16 total cpu time spent up to now is 177.8 secs Computing kpt #: 17 total cpu time spent up to now is 185.6 secs Computing kpt #: 18 total cpu time spent up to now is 193.4 secs Computing kpt #: 19 total cpu time spent up to now is 201.2 secs Computing kpt #: 20 total cpu time spent up to now is 208.9 secs Computing kpt #: 21 total cpu time spent up to now is 216.6 secs Computing kpt #: 22 total cpu time spent up to now is 224.4 secs Computing kpt #: 23 total cpu time spent up to now is 232.2 secs Computing kpt #: 24 total cpu time spent up to now is 239.9 secs Computing kpt #: 25 total cpu time spent up to now is 247.8 secs Computing kpt #: 26 total cpu time spent up to now is 255.6 secs Computing kpt #: 27 total cpu time spent up to now is 263.2 secs Computing kpt #: 28 total cpu time spent up to now is 270.9 secs Computing kpt #: 29 total cpu time spent up to now is 278.7 secs Computing kpt #: 30 total cpu time spent up to now is 286.3 secs Computing kpt #: 31 total cpu time spent up to now is 293.8 secs Computing kpt #: 32 total cpu time spent up to now is 301.3 secs Computing kpt #: 33 total cpu time spent up to now is 308.7 secs Computing kpt #: 34 total cpu time spent up to now is 316.1 secs Computing kpt #: 35 total cpu time spent up to now is 323.5 secs Computing kpt #: 36 total cpu time spent up to now is 330.9 secs Computing kpt #: 37 total cpu time spent up to now is 338.2 secs Computing kpt #: 38 total cpu time spent up to now is 345.5 secs Computing kpt #: 39 total cpu time spent up to now is 352.8 secs Computing kpt #: 40 total cpu time spent up to now is 360.1 secs Computing kpt #: 41 total cpu time spent up to now is 367.3 secs Computing kpt #: 42 total cpu time spent up to now is 374.5 secs Computing kpt #: 43 total cpu time spent up to now is 381.7 secs Computing kpt #: 44 total cpu time spent up to now is 388.8 secs Computing kpt #: 45 total cpu time spent up to now is 395.9 secs Computing kpt #: 46 total cpu time spent up to now is 403.0 secs Computing kpt #: 47 total cpu time spent up to now is 410.0 secs Computing kpt #: 48 total cpu time spent up to now is 417.1 secs Computing kpt #: 49 total cpu time spent up to now is 424.2 secs Computing kpt #: 50 total cpu time spent up to now is 431.3 secs Computing kpt #: 51 total cpu time spent up to now is 440.0 secs Computing kpt #: 52 total cpu time spent up to now is 448.4 secs Computing kpt #: 53 total cpu time spent up to now is 455.4 secs Computing kpt #: 54 total cpu time spent up to now is 462.5 secs Computing kpt #: 55 total cpu time spent up to now is 469.6 secs Computing kpt #: 56 total cpu time spent up to now is 476.7 secs Computing kpt #: 57 total cpu time spent up to now is 483.8 secs Computing kpt #: 58 total cpu time spent up to now is 490.8 secs Computing kpt #: 59 total cpu time spent up to now is 497.9 secs Computing kpt #: 60 total cpu time spent up to now is 505.1 secs Computing kpt #: 61 total cpu time spent up to now is 512.3 secs Computing kpt #: 62 total cpu time spent up to now is 519.5 secs Computing kpt #: 63 total cpu time spent up to now is 526.7 secs Computing kpt #: 64 total cpu time spent up to now is 534.1 secs Computing kpt #: 65 total cpu time spent up to now is 541.6 secs Computing kpt #: 66 total cpu time spent up to now is 550.2 secs Computing kpt #: 67 total cpu time spent up to now is 557.3 secs Computing kpt #: 68 total cpu time spent up to now is 564.8 secs Computing kpt #: 69 total cpu time spent up to now is 572.0 secs Computing kpt #: 70 total cpu time spent up to now is 579.8 secs Computing kpt #: 71 total cpu time spent up to now is 587.0 secs Computing kpt #: 72 total cpu time spent up to now is 594.7 secs Computing kpt #: 73 total cpu time spent up to now is 603.2 secs Computing kpt #: 74 total cpu time spent up to now is 611.7 secs Computing kpt #: 75 total cpu time spent up to now is 620.5 secs Computing kpt #: 76 total cpu time spent up to now is 629.5 secs Computing kpt #: 77 total cpu time spent up to now is 640.8 secs Computing kpt #: 78 total cpu time spent up to now is 652.6 secs Computing kpt #: 79 total cpu time spent up to now is 663.1 secs Computing kpt #: 80 total cpu time spent up to now is 674.6 secs Computing kpt #: 81 total cpu time spent up to now is 686.1 secs Computing kpt #: 82 total cpu time spent up to now is 698.7 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 711.9 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 725.2 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.9 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 752.7 secs Computing kpt #: 87 total cpu time spent up to now is 763.0 secs Computing kpt #: 88 total cpu time spent up to now is 772.8 secs Computing kpt #: 89 total cpu time spent up to now is 782.6 secs Computing kpt #: 90 total cpu time spent up to now is 791.6 secs Computing kpt #: 91 total cpu time spent up to now is 800.5 secs Computing kpt #: 92 total cpu time spent up to now is 809.5 secs Computing kpt #: 93 total cpu time spent up to now is 818.3 secs Computing kpt #: 94 total cpu time spent up to now is 827.2 secs Computing kpt #: 95 total cpu time spent up to now is 836.2 secs Computing kpt #: 96 total cpu time spent up to now is 845.3 secs Computing kpt #: 97 total cpu time spent up to now is 854.3 secs Computing kpt #: 98 total cpu time spent up to now is 863.4 secs Computing kpt #: 99 total cpu time spent up to now is 872.6 secs Computing kpt #: 100 total cpu time spent up to now is 882.7 secs Computing kpt #: 101 total cpu time spent up to now is 892.6 secs Computing kpt #: 102 total cpu time spent up to now is 902.6 secs Computing kpt #: 103 total cpu time spent up to now is 912.5 secs Computing kpt #: 104 total cpu time spent up to now is 922.5 secs Computing kpt #: 105 total cpu time spent up to now is 932.4 secs Computing kpt #: 106 total cpu time spent up to now is 942.3 secs Computing kpt #: 107 total cpu time spent up to now is 951.1 secs Computing kpt #: 108 total cpu time spent up to now is 960.0 secs Computing kpt #: 109 total cpu time spent up to now is 968.5 secs Computing kpt #: 110 total cpu time spent up to now is 976.3 secs Computing kpt #: 111 total cpu time spent up to now is 983.7 secs Computing kpt #: 112 total cpu time spent up to now is 991.3 secs Computing kpt #: 113 total cpu time spent up to now is 998.8 secs Computing kpt #: 114 total cpu time spent up to now is 1006.3 secs Computing kpt #: 115 total cpu time spent up to now is 1014.0 secs Computing kpt #: 116 total cpu time spent up to now is 1021.7 secs Computing kpt #: 117 total cpu time spent up to now is 1030.3 secs Computing kpt #: 118 total cpu time spent up to now is 1040.1 secs Computing kpt #: 119 total cpu time spent up to now is 1049.6 secs Computing kpt #: 120 total cpu time spent up to now is 1059.6 secs Computing kpt #: 121 total cpu time spent up to now is 1069.7 secs Computing kpt #: 122 total cpu time spent up to now is 1081.3 secs Computing kpt #: 123 total cpu time spent up to now is 1093.0 secs Computing kpt #: 124 total cpu time spent up to now is 1101.9 secs Computing kpt #: 125 total cpu time spent up to now is 1110.7 secs Computing kpt #: 126 total cpu time spent up to now is 1119.4 secs Computing kpt #: 127 total cpu time spent up to now is 1127.3 secs Computing kpt #: 128 total cpu time spent up to now is 1135.2 secs Computing kpt #: 129 total cpu time spent up to now is 1143.0 secs Computing kpt #: 130 total cpu time spent up to now is 1150.8 secs Computing kpt #: 131 total cpu time spent up to now is 1158.6 secs Computing kpt #: 132 total cpu time spent up to now is 1166.3 secs Computing kpt #: 133 total cpu time spent up to now is 1174.1 secs Computing kpt #: 134 total cpu time spent up to now is 1182.3 secs Computing kpt #: 135 total cpu time spent up to now is 1190.1 secs Computing kpt #: 136 total cpu time spent up to now is 1198.1 secs Computing kpt #: 137 total cpu time spent up to now is 1206.9 secs Computing kpt #: 138 total cpu time spent up to now is 1215.8 secs Computing kpt #: 139 total cpu time spent up to now is 1225.0 secs Computing kpt #: 140 total cpu time spent up to now is 1234.2 secs Computing kpt #: 141 total cpu time spent up to now is 1243.3 secs Computing kpt #: 142 total cpu time spent up to now is 1252.4 secs Computing kpt #: 143 total cpu time spent up to now is 1261.6 secs Computing kpt #: 144 total cpu time spent up to now is 1270.6 secs Computing kpt #: 145 total cpu time spent up to now is 1280.1 secs Computing kpt #: 146 total cpu time spent up to now is 1289.2 secs Computing kpt #: 147 total cpu time spent up to now is 1298.3 secs Computing kpt #: 148 total cpu time spent up to now is 1307.4 secs Computing kpt #: 149 total cpu time spent up to now is 1316.6 secs Computing kpt #: 150 total cpu time spent up to now is 1325.7 secs Computing kpt #: 151 total cpu time spent up to now is 1334.8 secs Computing kpt #: 152 total cpu time spent up to now is 1345.0 secs Computing kpt #: 153 total cpu time spent up to now is 1354.1 secs Computing kpt #: 154 total cpu time spent up to now is 1363.1 secs Computing kpt #: 155 total cpu time spent up to now is 1372.3 secs Computing kpt #: 156 total cpu time spent up to now is 1381.4 secs Computing kpt #: 157 total cpu time spent up to now is 1390.3 secs Computing kpt #: 158 total cpu time spent up to now is 1399.4 secs Computing kpt #: 159 total cpu time spent up to now is 1408.4 secs Computing kpt #: 160 total cpu time spent up to now is 1417.2 secs Computing kpt #: 161 total cpu time spent up to now is 1425.9 secs Computing kpt #: 162 total cpu time spent up to now is 1433.8 secs Computing kpt #: 163 total cpu time spent up to now is 1441.6 secs Computing kpt #: 164 total cpu time spent up to now is 1449.4 secs Computing kpt #: 165 total cpu time spent up to now is 1457.0 secs Computing kpt #: 166 total cpu time spent up to now is 1464.7 secs Computing kpt #: 167 total cpu time spent up to now is 1472.2 secs Computing kpt #: 168 total cpu time spent up to now is 1480.1 secs Computing kpt #: 169 total cpu time spent up to now is 1487.8 secs Computing kpt #: 170 total cpu time spent up to now is 1495.7 secs Computing kpt #: 171 total cpu time spent up to now is 1503.4 secs Computing kpt #: 172 total cpu time spent up to now is 1511.2 secs Computing kpt #: 173 total cpu time spent up to now is 1519.9 secs Computing kpt #: 174 total cpu time spent up to now is 1528.5 secs Computing kpt #: 175 total cpu time spent up to now is 1537.4 secs Computing kpt #: 176 total cpu time spent up to now is 1546.6 secs Computing kpt #: 177 total cpu time spent up to now is 1555.9 secs Computing kpt #: 178 total cpu time spent up to now is 1565.8 secs Computing kpt #: 179 total cpu time spent up to now is 1574.9 secs Computing kpt #: 180 total cpu time spent up to now is 1583.8 secs Computing kpt #: 181 total cpu time spent up to now is 1592.6 secs Computing kpt #: 182 total cpu time spent up to now is 1601.3 secs Computing kpt #: 183 total cpu time spent up to now is 1609.8 secs Computing kpt #: 184 total cpu time spent up to now is 1618.6 secs Computing kpt #: 185 total cpu time spent up to now is 1626.1 secs Computing kpt #: 186 total cpu time spent up to now is 1633.7 secs Computing kpt #: 187 total cpu time spent up to now is 1642.1 secs Computing kpt #: 188 total cpu time spent up to now is 1650.0 secs Computing kpt #: 189 total cpu time spent up to now is 1658.5 secs Computing kpt #: 190 total cpu time spent up to now is 1666.9 secs Computing kpt #: 191 total cpu time spent up to now is 1675.7 secs Computing kpt #: 192 total cpu time spent up to now is 1684.6 secs Computing kpt #: 193 total cpu time spent up to now is 1693.6 secs Computing kpt #: 194 total cpu time spent up to now is 1703.4 secs Computing kpt #: 195 total cpu time spent up to now is 1713.3 secs Computing kpt #: 196 total cpu time spent up to now is 1722.3 secs Computing kpt #: 197 total cpu time spent up to now is 1731.4 secs Computing kpt #: 198 total cpu time spent up to now is 1741.3 secs Computing kpt #: 199 total cpu time spent up to now is 1751.1 secs Computing kpt #: 200 total cpu time spent up to now is 1761.3 secs Computing kpt #: 201 total cpu time spent up to now is 1771.3 secs Computing kpt #: 202 total cpu time spent up to now is 1781.4 secs Computing kpt #: 203 total cpu time spent up to now is 1790.3 secs Computing kpt #: 204 total cpu time spent up to now is 1799.2 secs Computing kpt #: 205 total cpu time spent up to now is 1808.0 secs Computing kpt #: 206 total cpu time spent up to now is 1816.8 secs Computing kpt #: 207 total cpu time spent up to now is 1825.5 secs Computing kpt #: 208 total cpu time spent up to now is 1834.3 secs Computing kpt #: 209 total cpu time spent up to now is 1843.1 secs Computing kpt #: 210 total cpu time spent up to now is 1852.0 secs Computing kpt #: 211 total cpu time spent up to now is 1860.9 secs Computing kpt #: 212 total cpu time spent up to now is 1869.8 secs Computing kpt #: 213 total cpu time spent up to now is 1879.8 secs Computing kpt #: 214 total cpu time spent up to now is 1889.9 secs Computing kpt #: 215 total cpu time spent up to now is 1901.2 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1914.5 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1927.7 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1941.7 secs Computing kpt #: 219 total cpu time spent up to now is 1952.0 secs Computing kpt #: 220 total cpu time spent up to now is 1960.7 secs Computing kpt #: 221 total cpu time spent up to now is 1969.1 secs Computing kpt #: 222 total cpu time spent up to now is 1977.5 secs Computing kpt #: 223 total cpu time spent up to now is 1985.9 secs Computing kpt #: 224 total cpu time spent up to now is 1993.5 secs Computing kpt #: 225 total cpu time spent up to now is 2001.0 secs Computing kpt #: 226 total cpu time spent up to now is 2008.5 secs Computing kpt #: 227 total cpu time spent up to now is 2015.7 secs Computing kpt #: 228 total cpu time spent up to now is 2022.9 secs Computing kpt #: 229 total cpu time spent up to now is 2030.4 secs Computing kpt #: 230 total cpu time spent up to now is 2037.7 secs Computing kpt #: 231 total cpu time spent up to now is 2046.0 secs Computing kpt #: 232 total cpu time spent up to now is 2053.5 secs Computing kpt #: 233 total cpu time spent up to now is 2061.9 secs Computing kpt #: 234 total cpu time spent up to now is 2069.1 secs Computing kpt #: 235 total cpu time spent up to now is 2076.5 secs Computing kpt #: 236 total cpu time spent up to now is 2084.0 secs Computing kpt #: 237 total cpu time spent up to now is 2091.2 secs Computing kpt #: 238 total cpu time spent up to now is 2098.4 secs Computing kpt #: 239 total cpu time spent up to now is 2105.7 secs Computing kpt #: 240 total cpu time spent up to now is 2112.8 secs Computing kpt #: 241 total cpu time spent up to now is 2120.0 secs Computing kpt #: 242 total cpu time spent up to now is 2127.1 secs Computing kpt #: 243 total cpu time spent up to now is 2134.2 secs Computing kpt #: 244 total cpu time spent up to now is 2141.3 secs Computing kpt #: 245 total cpu time spent up to now is 2148.2 secs Computing kpt #: 246 total cpu time spent up to now is 2155.2 secs Computing kpt #: 247 total cpu time spent up to now is 2162.3 secs Computing kpt #: 248 total cpu time spent up to now is 2169.3 secs Computing kpt #: 249 total cpu time spent up to now is 2176.3 secs Computing kpt #: 250 total cpu time spent up to now is 2183.3 secs Computing kpt #: 251 total cpu time spent up to now is 2190.4 secs Computing kpt #: 252 total cpu time spent up to now is 2197.4 secs Computing kpt #: 253 total cpu time spent up to now is 2204.4 secs Computing kpt #: 254 total cpu time spent up to now is 2211.4 secs Computing kpt #: 255 total cpu time spent up to now is 2218.5 secs Computing kpt #: 256 total cpu time spent up to now is 2225.6 secs Computing kpt #: 257 total cpu time spent up to now is 2232.6 secs Computing kpt #: 258 total cpu time spent up to now is 2240.4 secs Computing kpt #: 259 total cpu time spent up to now is 2249.7 secs Computing kpt #: 260 total cpu time spent up to now is 2257.0 secs Computing kpt #: 261 total cpu time spent up to now is 2264.0 secs Computing kpt #: 262 total cpu time spent up to now is 2271.2 secs Computing kpt #: 263 total cpu time spent up to now is 2278.4 secs Computing kpt #: 264 total cpu time spent up to now is 2285.6 secs Computing kpt #: 265 total cpu time spent up to now is 2292.9 secs Computing kpt #: 266 total cpu time spent up to now is 2300.1 secs Computing kpt #: 267 total cpu time spent up to now is 2307.4 secs Computing kpt #: 268 total cpu time spent up to now is 2314.6 secs Computing kpt #: 269 total cpu time spent up to now is 2321.9 secs Computing kpt #: 270 total cpu time spent up to now is 2329.2 secs Computing kpt #: 271 total cpu time spent up to now is 2336.6 secs Computing kpt #: 272 total cpu time spent up to now is 2343.9 secs Computing kpt #: 273 total cpu time spent up to now is 2351.4 secs Computing kpt #: 274 total cpu time spent up to now is 2358.8 secs Computing kpt #: 275 total cpu time spent up to now is 2366.5 secs Computing kpt #: 276 total cpu time spent up to now is 2374.1 secs Computing kpt #: 277 total cpu time spent up to now is 2381.8 secs Computing kpt #: 278 total cpu time spent up to now is 2389.4 secs Computing kpt #: 279 total cpu time spent up to now is 2397.4 secs Computing kpt #: 280 total cpu time spent up to now is 2405.1 secs Computing kpt #: 281 total cpu time spent up to now is 2412.7 secs Computing kpt #: 282 total cpu time spent up to now is 2420.4 secs Computing kpt #: 283 total cpu time spent up to now is 2428.1 secs Computing kpt #: 284 total cpu time spent up to now is 2435.7 secs Computing kpt #: 285 total cpu time spent up to now is 2443.5 secs Computing kpt #: 286 total cpu time spent up to now is 2451.0 secs Computing kpt #: 287 total cpu time spent up to now is 2458.8 secs Computing kpt #: 288 total cpu time spent up to now is 2466.7 secs Computing kpt #: 289 total cpu time spent up to now is 2474.7 secs Computing kpt #: 290 total cpu time spent up to now is 2482.5 secs Computing kpt #: 291 total cpu time spent up to now is 2490.3 secs Computing kpt #: 292 total cpu time spent up to now is 2498.0 secs Computing kpt #: 293 total cpu time spent up to now is 2505.7 secs Computing kpt #: 294 total cpu time spent up to now is 2513.4 secs Computing kpt #: 295 total cpu time spent up to now is 2521.3 secs Computing kpt #: 296 total cpu time spent up to now is 2529.1 secs Computing kpt #: 297 total cpu time spent up to now is 2537.0 secs Computing kpt #: 298 total cpu time spent up to now is 2546.2 secs Computing kpt #: 299 total cpu time spent up to now is 2555.1 secs Computing kpt #: 300 total cpu time spent up to now is 2564.0 secs Computing kpt #: 301 total cpu time spent up to now is 2573.2 secs Computing kpt #: 302 total cpu time spent up to now is 2582.6 secs Computing kpt #: 303 total cpu time spent up to now is 2591.7 secs Computing kpt #: 304 total cpu time spent up to now is 2598.7 secs Computing kpt #: 305 total cpu time spent up to now is 2605.7 secs Computing kpt #: 306 total cpu time spent up to now is 2612.7 secs Computing kpt #: 307 total cpu time spent up to now is 2619.7 secs Computing kpt #: 308 total cpu time spent up to now is 2626.7 secs Computing kpt #: 309 total cpu time spent up to now is 2633.8 secs Computing kpt #: 310 total cpu time spent up to now is 2640.7 secs Computing kpt #: 311 total cpu time spent up to now is 2647.8 secs Computing kpt #: 312 total cpu time spent up to now is 2654.8 secs Computing kpt #: 313 total cpu time spent up to now is 2661.9 secs ethr = 2.38E-11, avg # of iterations = 43.9 total cpu time spent up to now is 2662.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4783 PWs) bands (ev): -9.2718 -9.2718 -8.7841 -8.7841 -7.2982 -7.2982 -5.5547 -5.5547 -1.2440 -1.2440 0.1838 0.1838 0.2753 0.2753 0.4684 0.4684 0.7628 0.7628 0.7821 0.7821 1.6446 1.6446 2.4899 2.4899 2.5482 2.5482 2.6006 2.6006 3.4042 3.4042 3.4620 3.4620 4.3722 4.3722 4.4335 4.4335 5.7271 5.7271 7.1018 7.1018 7.1503 7.1503 7.4543 7.4543 8.2923 8.2923 9.1030 9.1030 9.7061 9.7061 k = 0.0098-0.0320-0.0187 ( 4783 PWs) bands (ev): -9.2710 -9.2710 -8.7833 -8.7833 -7.2976 -7.2976 -5.5541 -5.5540 -1.2434 -1.2434 0.1834 0.1844 0.2754 0.2754 0.4674 0.4694 0.7620 0.7632 0.7820 0.7820 1.6438 1.6452 2.4799 2.4936 2.5402 2.5530 2.5985 2.5986 3.4001 3.4008 3.4582 3.4582 4.3698 4.3700 4.4312 4.4312 5.7268 5.7271 7.0965 7.0975 7.1458 7.1458 7.4610 7.4616 8.2978 8.2978 9.1075 9.1089 9.7038 9.7049 k = 0.0196-0.0640-0.0375 ( 4779 PWs) bands (ev): -9.2683 -9.2683 -8.7808 -8.7808 -7.2961 -7.2960 -5.5520 -5.5518 -1.2417 -1.2417 0.1833 0.1854 0.2756 0.2756 0.4665 0.4705 0.7612 0.7634 0.7819 0.7821 1.6428 1.6456 2.4631 2.4881 2.5311 2.5548 2.5923 2.5930 3.3877 3.3892 3.4475 3.4476 4.3617 4.3622 4.4253 4.4254 5.7261 5.7268 7.0799 7.0815 7.1347 7.1348 7.4808 7.4822 8.3141 8.3142 9.1223 9.1251 9.6924 9.6946 k = 0.0294-0.0960-0.0562 ( 4769 PWs) bands (ev): -9.2639 -9.2639 -8.7768 -8.7767 -7.2934 -7.2934 -5.5487 -5.5484 -1.2389 -1.2389 0.1835 0.1865 0.2760 0.2761 0.4657 0.4716 0.7602 0.7632 0.7817 0.7823 1.6416 1.6457 2.4381 2.4684 2.5252 2.5542 2.5835 2.5852 3.3654 3.3677 3.4321 3.4324 4.3455 4.3462 4.4187 4.4189 5.7251 5.7260 7.0488 7.0507 7.1216 7.1223 7.5124 7.5145 8.3408 8.3410 9.1468 9.1511 9.6704 9.6735 k = 0.0392-0.1280-0.0750 ( 4781 PWs) bands (ev): -9.2578 -9.2578 -8.7711 -8.7710 -7.2898 -7.2897 -5.5439 -5.5435 -1.2350 -1.2349 0.1839 0.1880 0.2765 0.2766 0.4648 0.4728 0.7591 0.7623 0.7813 0.7828 1.6400 1.6454 2.4033 2.4341 2.5220 2.5509 2.5740 2.5763 3.3320 3.3350 3.4142 3.4146 4.3193 4.3203 4.4135 4.4139 5.7236 5.7247 7.0036 7.0054 7.1081 7.1094 7.5539 7.5570 8.3768 8.3772 9.1800 9.1858 9.6407 9.6448 k = 0.0490-0.1600-0.0937 ( 4785 PWs) bands (ev): -9.2500 -9.2500 -8.7638 -8.7637 -7.2851 -7.2850 -5.5378 -5.5374 -1.2300 -1.2299 0.1845 0.1896 0.2771 0.2774 0.4640 0.4740 0.7580 0.7610 0.7807 0.7835 1.6380 1.6445 2.3585 2.3881 2.5183 2.5432 2.5667 2.5674 3.2879 3.2914 3.3947 3.3951 4.2834 4.2846 4.4101 4.4105 5.7216 5.7228 6.9465 6.9481 7.0934 7.0954 7.6042 7.6082 8.4209 8.4216 9.2202 9.2277 9.6060 9.6112 k = 0.0588-0.1920-0.1125 ( 4779 PWs) bands (ev): -9.2404 -9.2404 -8.7549 -8.7548 -7.2793 -7.2793 -5.5304 -5.5298 -1.2239 -1.2238 0.1854 0.1915 0.2778 0.2784 0.4633 0.4753 0.7568 0.7591 0.7800 0.7846 1.6351 1.6427 2.3040 2.3322 2.5118 2.5306 2.5595 2.5625 3.2345 3.2384 3.3733 3.3737 4.2391 4.2404 4.4076 4.4082 5.7188 5.7200 6.8793 6.8808 7.0769 7.0795 7.6617 7.6667 8.4716 8.4726 9.2649 9.2744 9.5697 9.5763 k = 0.0686-0.2240-0.1312 ( 4778 PWs) bands (ev): -9.2291 -9.2291 -8.7444 -8.7443 -7.2726 -7.2725 -5.5217 -5.5210 -1.2168 -1.2168 0.1864 0.1935 0.2787 0.2796 0.4625 0.4766 0.7556 0.7566 0.7792 0.7860 1.6311 1.6396 2.2408 2.2680 2.5014 2.5146 2.5532 2.5594 3.1738 3.1780 3.3499 3.3502 4.1877 4.1891 4.4055 4.4061 5.7152 5.7162 6.8034 6.8048 7.0583 7.0615 7.7252 7.7310 8.5267 8.5280 9.3094 9.3210 9.5372 9.5455 k = 0.0784-0.2560-0.1500 ( 4776 PWs) bands (ev): -9.2161 -9.2161 -8.7324 -8.7322 -7.2650 -7.2648 -5.5116 -5.5109 -1.2088 -1.2088 0.1876 0.1957 0.2797 0.2810 0.4618 0.4780 0.7536 0.7542 0.7783 0.7876 1.6255 1.6346 2.1700 2.1968 2.4868 2.4963 2.5478 2.5558 3.1079 3.1122 3.3244 3.3245 4.1304 4.1318 4.4033 4.4040 5.7106 5.7113 6.7202 6.7217 7.0375 7.0412 7.7930 7.7997 8.5835 8.5852 9.3443 9.3571 9.5199 9.5289 k = 0.0882-0.2880-0.1687 ( 4769 PWs) bands (ev): -9.2015 -9.2014 -8.7188 -8.7186 -7.2563 -7.2562 -5.5003 -5.4994 -1.1999 -1.1999 0.1890 0.1979 0.2807 0.2826 0.4611 0.4794 0.7501 0.7528 0.7774 0.7894 1.6176 1.6271 2.0931 2.1201 2.4690 2.4761 2.5417 2.5503 3.0391 3.0433 3.2968 3.2968 4.0681 4.0695 4.4007 4.4014 5.7048 5.7050 6.6309 6.6325 7.0146 7.0189 7.8634 7.8710 8.6384 8.6404 9.3582 9.3682 9.5334 9.5394 k = 0.0980-0.3200-0.1875 ( 4774 PWs) bands (ev): -9.1852 -9.1851 -8.7037 -8.7035 -7.2468 -7.2467 -5.4877 -5.4868 -1.1902 -1.1901 0.1903 0.2001 0.2818 0.2844 0.4604 0.4809 0.7461 0.7513 0.7765 0.7914 1.6063 1.6159 2.0118 2.0394 2.4485 2.4540 2.5329 2.5412 2.9703 2.9742 3.2672 3.2673 4.0019 4.0032 4.3975 4.3982 5.6971 5.6977 6.5364 6.5384 6.9897 6.9944 7.9344 7.9427 8.6866 8.6889 9.3555 9.3608 9.5726 9.5741 k = 0.1078-0.3520-0.2062 ( 4766 PWs) bands (ev): -9.1672 -9.1672 -8.6871 -8.6868 -7.2364 -7.2362 -5.4740 -5.4729 -1.1797 -1.1796 0.1917 0.2023 0.2830 0.2864 0.4596 0.4824 0.7416 0.7496 0.7756 0.7936 1.5902 1.5994 1.9279 1.9567 2.4258 2.4304 2.5189 2.5262 2.9051 2.9084 3.2359 3.2362 3.9324 3.9336 4.3935 4.3942 5.6871 5.6888 6.4380 6.4406 6.9629 6.9680 8.0035 8.0124 8.7230 8.7254 9.3534 9.3549 9.6178 9.6197 k = 0.1176-0.3840-0.2250 ( 4762 PWs) bands (ev): -9.1477 -9.1476 -8.6690 -8.6688 -7.2251 -7.2249 -5.4590 -5.4579 -1.1687 -1.1685 0.1931 0.2042 0.2843 0.2887 0.4587 0.4839 0.7366 0.7478 0.7748 0.7960 1.5666 1.5752 1.8442 1.8747 2.4013 2.4052 2.4967 2.5025 2.8479 2.8500 3.2031 3.2035 3.8607 3.8616 4.3885 4.3893 5.6746 5.6777 6.3368 6.3406 6.9343 6.9399 8.0679 8.0773 8.7436 8.7459 9.3608 9.3627 9.6607 9.6653 k = 0.1275-0.4160-0.2437 ( 4763 PWs) bands (ev): -9.1266 -9.1265 -8.6495 -8.6493 -7.2131 -7.2129 -5.4429 -5.4417 -1.1571 -1.1568 0.1943 0.2059 0.2856 0.2912 0.4575 0.4853 0.7311 0.7457 0.7742 0.7985 1.5320 1.5398 1.7645 1.7968 2.3751 2.3787 2.4640 2.4676 2.8024 2.8031 3.1690 3.1695 3.7874 3.7880 4.3826 4.3835 5.6587 5.6639 6.2344 6.2399 6.9041 6.9101 8.1243 8.1340 8.7480 8.7503 9.3797 9.3849 9.7001 9.7069 k = 0.1373-0.4479-0.2625 ( 4764 PWs) bands (ev): -9.1039 -9.1039 -8.6287 -8.6284 -7.2002 -7.2000 -5.4257 -5.4244 -1.1452 -1.1448 0.1952 0.2070 0.2869 0.2939 0.4561 0.4867 0.7251 0.7434 0.7737 0.8012 1.4818 1.4898 1.6929 1.7263 2.3474 2.3508 2.4208 2.4219 2.7692 2.7701 3.1338 3.1345 3.7134 3.7136 4.3757 4.3766 5.6380 5.6460 6.1326 6.1406 6.8724 6.8787 8.1687 8.1782 8.7409 8.7433 9.4053 9.4137 9.7384 9.7474 k = 0.1471-0.4799-0.2812 ( 4755 PWs) bands (ev): -9.0798 -9.0797 -8.6065 -8.6061 -7.1867 -7.1865 -5.4074 -5.4060 -1.1331 -1.1325 0.1957 0.2074 0.2883 0.2969 0.4542 0.4880 0.7184 0.7408 0.7734 0.8040 1.4144 1.4244 1.6310 1.6638 2.3178 2.3213 2.3692 2.3703 2.7470 2.7491 3.0978 3.0986 3.6392 3.6394 4.3677 4.3686 5.6102 5.6221 6.0340 6.0456 6.8395 6.8461 8.1967 8.2058 8.7292 8.7321 9.4279 9.4389 9.7821 9.7926 k = 0.1569-0.5119-0.3000 ( 4755 PWs) bands (ev): -9.0542 -9.0541 -8.5830 -8.5826 -7.1725 -7.1723 -5.3881 -5.3867 -1.1208 -1.1201 0.1955 0.2068 0.2896 0.3000 0.4516 0.4890 0.7111 0.7380 0.7733 0.8068 1.3337 1.3467 1.5746 1.6059 2.2855 2.2891 2.3156 2.3186 2.7331 2.7359 3.0610 3.0621 3.5654 3.5662 4.3587 4.3596 5.5720 5.5887 5.9429 5.9589 6.8053 6.8123 8.2050 8.2133 8.7191 8.7226 9.4397 9.4522 9.8368 9.8478 k = 0.1667-0.5439-0.3187 ( 4752 PWs) bands (ev): -9.0271 -9.0271 -8.5582 -8.5579 -7.1577 -7.1575 -5.3678 -5.3663 -1.1088 -1.1077 0.1945 0.2048 0.2910 0.3033 0.4481 0.4897 0.7031 0.7349 0.7733 0.8098 1.2455 1.2620 1.5182 1.5478 2.2469 2.2484 2.2712 2.2735 2.7245 2.7276 3.0237 3.0251 3.4931 3.4945 4.3487 4.3496 5.5196 5.5409 5.8645 5.8849 6.7702 6.7775 8.1927 8.2000 8.7131 8.7175 9.4384 9.4514 9.9028 9.9135 k = 0.1765-0.5759-0.3375 ( 4750 PWs) bands (ev): -8.9987 -8.9987 -8.5323 -8.5319 -7.1424 -7.1422 -5.3467 -5.3451 -1.0971 -1.0958 0.1921 0.2007 0.2923 0.3067 0.4433 0.4899 0.6943 0.7314 0.7735 0.8127 1.1547 1.1749 1.4579 1.4860 2.2013 2.2027 2.2369 2.2373 2.7186 2.7217 2.9861 2.9878 3.4232 3.4253 4.3377 4.3387 5.4506 5.4750 5.8032 5.8264 6.7343 6.7418 8.1621 8.1684 8.7102 8.7154 9.4261 9.4391 9.9759 9.9858 k = 0.1863-0.6079-0.3562 ( 4752 PWs) bands (ev): -8.9690 -8.9690 -8.5052 -8.5048 -7.1267 -7.1264 -5.3246 -5.3231 -1.0860 -1.0843 0.1878 0.1940 0.2935 0.3100 0.4369 0.4893 0.6846 0.7274 0.7737 0.8155 1.0646 1.0887 1.3922 1.4193 2.1571 2.1601 2.2043 2.2048 2.7137 2.7166 2.9484 2.9504 3.3564 3.3592 4.3257 4.3267 5.3667 5.3920 5.7584 5.7823 6.6978 6.7055 8.1175 8.1228 8.7071 8.7128 9.4061 9.4190 10.0500 10.0590 k = 0.1961-0.6399-0.3750 ( 4753 PWs) bands (ev): -8.9381 -8.9380 -8.4771 -8.4767 -7.1105 -7.1102 -5.3019 -5.3002 -1.0758 -1.0738 0.1806 0.1836 0.2947 0.3133 0.4285 0.4877 0.6740 0.7226 0.7737 0.8179 0.9784 1.0065 1.3213 1.3479 2.1179 2.1217 2.1720 2.1730 2.7085 2.7109 2.9106 2.9130 3.2936 3.2972 4.3129 4.3140 5.2721 5.2969 5.7258 5.7491 6.6607 6.6686 8.0629 8.0675 8.7006 8.7065 9.3810 9.3939 10.1192 10.1276 k = 0.2059-0.6719-0.3937 ( 4748 PWs) bands (ev): -8.9060 -8.9059 -8.4480 -8.4475 -7.0940 -7.0937 -5.2783 -5.2767 -1.0669 -1.0644 0.1683 0.1691 0.2958 0.3161 0.4180 0.4845 0.6628 0.7164 0.7731 0.8188 0.8993 0.9313 1.2468 1.2733 2.0834 2.0877 2.1400 2.1414 2.7018 2.7035 2.8729 2.8758 3.2358 3.2403 4.2993 4.3004 5.1710 5.1947 5.7008 5.7229 6.6233 6.6313 8.0017 8.0057 8.6884 8.6943 9.3524 9.3653 10.1783 10.1864 k = 0.2157-0.7039-0.4125 ( 4746 PWs) bands (ev): -8.8727 -8.8726 -8.4180 -8.4175 -7.0772 -7.0770 -5.2542 -5.2525 -1.0596 -1.0566 0.1466 0.1514 0.2968 0.3182 0.4059 0.4792 0.6512 0.7064 0.7702 0.8121 0.8331 0.8703 1.1708 1.1980 2.0526 2.0570 2.1082 2.1099 2.6927 2.6936 2.8356 2.8389 3.1838 3.1890 4.2851 4.2861 5.0664 5.0891 5.6803 5.7013 6.5857 6.5939 7.9363 7.9399 8.6696 8.6754 9.3211 9.3340 10.2234 10.2315 k = 0.2255-0.7359-0.4312 ( 4747 PWs) bands (ev): -8.8384 -8.8383 -8.3871 -8.3866 -7.0603 -7.0600 -5.2295 -5.2277 -1.0544 -1.0509 0.1172 0.1253 0.2976 0.3190 0.3938 0.4713 0.6396 0.6870 0.7588 0.7764 0.7932 0.8454 1.0963 1.1246 2.0244 2.0286 2.0765 2.0787 2.6804 2.6807 2.7987 2.8025 3.1382 3.1442 4.2701 4.2712 4.9605 4.9822 5.6626 5.6826 6.5481 6.5563 7.8685 7.8718 8.6443 8.6499 9.2873 9.3003 10.2525 10.2607 k = 0.2353-0.7679-0.4500 ( 4752 PWs) bands (ev): -8.8031 -8.8030 -8.3555 -8.3550 -7.0432 -7.0430 -5.2043 -5.2025 -1.0517 -1.0476 0.0790 0.0892 0.2981 0.3182 0.3834 0.4600 0.6283 0.6529 0.7239 0.7421 0.7817 0.8431 1.0267 1.0564 1.9977 2.0017 2.0451 2.0478 2.6635 2.6652 2.7624 2.7667 3.0993 3.1061 4.2547 4.2558 4.8548 4.8756 5.6468 5.6659 6.5105 6.5189 7.7994 7.8024 8.6132 8.6184 9.2509 9.2639 10.2656 10.2740 k = 0.2451-0.7999-0.4687 ( 4760 PWs) bands (ev): -8.7669 -8.7668 -8.3232 -8.3227 -7.0262 -7.0260 -5.1787 -5.1769 -1.0522 -1.0475 0.0324 0.0430 0.2981 0.3156 0.3755 0.4446 0.6127 0.6157 0.6730 0.7328 0.7760 0.8446 0.9662 0.9963 1.9718 1.9755 2.0140 2.0175 2.6429 2.6464 2.7268 2.7314 3.0670 3.0745 4.2388 4.2399 4.7504 4.7703 5.6323 5.6507 6.4732 6.4816 7.7299 7.7326 8.5771 8.5821 9.2120 9.2250 10.2644 10.2729 k = 0.2549-0.8319-0.4875 ( 4762 PWs) bands (ev): -8.7299 -8.7298 -8.2904 -8.2898 -7.0093 -7.0090 -5.1528 -5.1509 -1.0563 -1.0509 -0.0216 -0.0118 0.2972 0.3118 0.3690 0.4236 0.5745 0.5919 0.6358 0.7282 0.7692 0.8467 0.9188 0.9466 1.9460 1.9495 1.9834 1.9878 2.6191 2.6247 2.6920 2.6967 3.0406 3.0487 4.2226 4.2237 4.6481 4.6671 5.6189 5.6366 6.4363 6.4446 7.6606 7.6631 8.5373 8.5420 9.1705 9.1833 10.2512 10.2598 k = 0.2647-0.8639-0.5062 ( 4759 PWs) bands (ev): -8.6923 -8.6922 -8.2571 -8.2566 -6.9925 -6.9923 -5.1266 -5.1248 -1.0647 -1.0587 -0.0809 -0.0724 0.2941 0.3064 0.3607 0.3955 0.5420 0.5501 0.6214 0.7257 0.7600 0.8474 0.8867 0.9087 1.9201 1.9236 1.9532 1.9587 2.5928 2.6008 2.6581 2.6628 3.0189 3.0276 4.2062 4.2073 4.5487 4.5669 5.6064 5.6235 6.3998 6.4081 7.5920 7.5943 8.4946 8.4990 9.1266 9.1392 10.2288 10.2372 k = 0.2745-0.8959-0.5250 ( 4754 PWs) bands (ev): -8.6540 -8.6539 -8.2235 -8.2229 -6.9760 -6.9758 -5.1003 -5.0985 -1.0780 -1.0714 -0.1431 -0.1363 0.2848 0.2964 0.3476 0.3624 0.5107 0.5175 0.6156 0.7233 0.7509 0.8431 0.8684 0.8851 1.8941 1.8978 1.9237 1.9303 2.5650 2.5755 2.6251 2.6296 3.0006 3.0099 4.1896 4.1907 4.4530 4.4703 5.5947 5.6112 6.3639 6.3722 7.5244 7.5266 8.4500 8.4542 9.0805 9.0929 10.1993 10.2074 k = 0.2843-0.9279-0.5437 ( 4752 PWs) bands (ev): -8.6153 -8.6152 -8.1897 -8.1891 -6.9598 -6.9596 -5.0740 -5.0722 -1.0966 -1.0895 -0.2065 -0.2013 0.2588 0.2725 0.3336 0.3363 0.4855 0.5009 0.6125 0.7182 0.7465 0.8305 0.8597 0.8772 1.8681 1.8722 1.8948 1.9028 2.5361 2.5492 2.5929 2.5971 2.9843 2.9943 4.1730 4.1740 4.3617 4.3780 5.5838 5.5998 6.3288 6.3370 7.4582 7.4602 8.4043 8.4083 9.0327 9.0448 10.1645 10.1723 k = 0.2941-0.9599-0.5625 ( 4747 PWs) bands (ev): -8.5762 -8.5761 -8.1558 -8.1552 -6.9440 -6.9439 -5.0478 -5.0460 -1.1208 -1.1135 -0.2694 -0.2658 0.2128 0.2297 0.3247 0.3260 0.4751 0.4902 0.6109 0.7101 0.7483 0.8150 0.8567 0.8777 1.8425 1.8473 1.8668 1.8761 2.5068 2.5224 2.5616 2.5656 2.9689 2.9795 4.1563 4.1574 4.2755 4.2907 5.5737 5.5891 6.2945 6.3025 7.3936 7.3955 8.3581 8.3618 8.9836 8.9953 10.1260 10.1333 k = 0.3039-0.9919-0.5812 ( 4737 PWs) bands (ev): -8.5369 -8.5368 -8.1220 -8.1213 -6.9288 -6.9287 -5.0217 -5.0199 -1.1508 -1.1433 -0.3312 -0.3291 0.1581 0.1766 0.3202 0.3230 0.4742 0.4835 0.6101 0.7014 0.7540 0.8006 0.8570 0.8811 1.8174 1.8234 1.8398 1.8506 2.4772 2.4952 2.5313 2.5349 2.9531 2.9643 4.1394 4.1406 4.1952 4.2093 5.5644 5.5793 6.2611 6.2690 7.3309 7.3327 8.3120 8.3155 8.9337 8.9449 10.0848 10.0917 k = 0.3137-1.0239-0.6000 ( 4732 PWs) bands (ev): -8.4976 -8.4974 -8.0883 -8.0876 -6.9142 -6.9141 -4.9960 -4.9942 -1.1863 -1.1788 -0.3915 -0.3909 0.1025 0.1212 0.3180 0.3218 0.4785 0.4797 0.6100 0.6932 0.7620 0.7881 0.8594 0.8857 1.7933 1.8007 1.8143 1.8265 2.4473 2.4677 2.5019 2.5051 2.9362 2.9478 4.1150 4.1210 4.1290 4.1370 5.5559 5.5703 6.2287 6.2365 7.2702 7.2718 8.2664 8.2697 8.8834 8.8942 10.0419 10.0483 k = 0.3235-1.0559-0.6187 ( 4727 PWs) bands (ev): -8.4583 -8.4582 -8.0550 -8.0543 -6.9003 -6.9001 -4.9706 -4.9688 -1.2267 -1.2195 -0.4511 -0.4505 0.0497 0.0679 0.3165 0.3214 0.4779 0.4859 0.6103 0.6855 0.7715 0.7772 0.8632 0.8909 1.7703 1.7789 1.7909 1.8041 2.4170 2.4399 2.4736 2.4764 2.9173 2.9293 4.0513 4.0629 4.1090 4.1103 5.5483 5.5621 6.1975 6.2050 7.2116 7.2131 8.2217 8.2249 8.8332 8.8436 9.9979 10.0039 k = 0.3333-1.0879-0.6375 ( 4728 PWs) bands (ev): -8.4193 -8.4191 -8.0221 -8.0214 -6.8871 -6.8870 -4.9457 -4.9440 -1.2714 -1.2645 -0.5102 -0.5085 0.0016 0.0186 0.3151 0.3213 0.4775 0.4949 0.6111 0.6783 0.7676 0.7820 0.8681 0.8965 1.7483 1.7572 1.7713 1.7841 2.3861 2.4114 2.4464 2.4487 2.8960 2.9082 3.9911 4.0016 4.0932 4.0943 5.5415 5.5548 6.1674 6.1748 7.1554 7.1568 8.1783 8.1813 8.7837 8.7935 9.9535 9.9590 k = 0.3431-1.1199-0.6562 ( 4731 PWs) bands (ev): -8.3807 -8.3805 -7.9899 -7.9892 -6.8748 -6.8747 -4.9215 -4.9198 -1.3193 -1.3129 -0.5682 -0.5658 -0.0412 -0.0256 0.3136 0.3213 0.4784 0.5047 0.6125 0.6714 0.7592 0.7930 0.8740 0.9026 1.7273 1.7352 1.7558 1.7670 2.3545 2.3820 2.4204 2.4223 2.8719 2.8840 3.9379 3.9473 4.0781 4.0792 5.5356 5.5483 6.1387 6.1458 7.1015 7.1029 8.1364 8.1393 8.7351 8.7445 9.9092 9.9142 k = 0.3529-1.1519-0.6750 ( 4739 PWs) bands (ev): -8.3427 -8.3425 -7.9586 -7.9579 -6.8633 -6.8632 -4.8980 -4.8964 -1.3694 -1.3635 -0.6253 -0.6224 -0.0783 -0.0644 0.3119 0.3212 0.4803 0.5146 0.6145 0.6650 0.7518 0.8039 0.8810 0.9091 1.7072 1.7138 1.7443 1.7530 2.3220 2.3517 2.3957 2.3972 2.8449 2.8567 3.8921 3.9004 4.0636 4.0646 5.5305 5.5426 6.1113 6.1181 7.0503 7.0515 8.0963 8.0990 8.6880 8.6969 9.8653 9.8699 k = 0.3627-1.1839-0.6937 ( 4738 PWs) bands (ev): -8.3055 -8.3053 -7.9282 -7.9275 -6.8527 -6.8526 -4.8753 -4.8738 -1.4206 -1.4152 -0.6813 -0.6783 -0.1100 -0.0979 0.3100 0.3208 0.4830 0.5239 0.6174 0.6588 0.7456 0.8145 0.8893 0.9159 1.6879 1.6932 1.7362 1.7425 2.2888 2.3204 2.3725 2.3737 2.8152 2.8264 3.8534 3.8607 4.0497 4.0507 5.5262 5.5377 6.0854 6.0919 7.0017 7.0028 8.0582 8.0607 8.6426 8.6509 9.8223 9.8264 k = 0.3725-1.2159-0.7125 ( 4742 PWs) bands (ev): -8.2694 -8.2692 -7.8989 -7.8982 -6.8431 -6.8430 -4.8536 -4.8522 -1.4720 -1.4671 -0.7360 -0.7329 -0.1370 -0.1268 0.3079 0.3202 0.4864 0.5321 0.6213 0.6529 0.7409 0.8241 0.8990 0.9232 1.6695 1.6738 1.7312 1.7352 2.2551 2.2884 2.3507 2.3518 2.7829 2.7933 3.8213 3.8278 4.0366 4.0375 5.5227 5.5335 6.0610 6.0671 6.9559 6.9570 8.0222 8.0246 8.5993 8.6071 9.7805 9.7842 k = 0.3824-1.2479-0.7312 ( 4740 PWs) bands (ev): -8.2345 -8.2342 -7.8710 -7.8703 -6.8344 -6.8344 -4.8330 -4.8316 -1.5226 -1.5182 -0.7889 -0.7859 -0.1598 -0.1515 0.3056 0.3192 0.4903 0.5386 0.6258 0.6474 0.7382 0.8324 0.9104 0.9309 1.6521 1.6555 1.7290 1.7309 2.2214 2.2561 2.3304 2.3314 2.7486 2.7578 3.7954 3.8011 4.0241 4.0250 5.5200 5.5301 6.0381 6.0439 6.9130 6.9140 7.9885 7.9907 8.5583 8.5656 9.7403 9.7436 k = 0.3922-1.2798-0.7500 ( 4740 PWs) bands (ev): -8.2010 -8.2008 -7.8446 -7.8439 -6.8267 -6.8267 -4.8135 -4.8122 -1.5716 -1.5677 -0.8395 -0.8367 -0.1792 -0.1726 0.3033 0.3179 0.4947 0.5434 0.6303 0.6422 0.7380 0.8393 0.9233 0.9391 1.6358 1.6386 1.7288 1.7290 2.1887 2.2243 2.3117 2.3127 2.7127 2.7205 3.7748 3.7798 4.0125 4.0133 5.5179 5.5272 6.0169 6.0224 6.8731 6.8740 7.9572 7.9592 8.5199 8.5266 9.7019 9.7049 k = 0.4020-1.3118-0.7687 ( 4735 PWs) bands (ev): -8.1693 -8.1691 -7.8198 -7.8192 -6.8200 -6.8199 -4.7954 -4.7942 -1.6183 -1.6148 -0.8873 -0.8848 -0.1958 -0.1908 0.3010 0.3163 0.4995 0.5466 0.6341 0.6374 0.7409 0.8447 0.9375 0.9478 1.6208 1.6231 1.7281 1.7303 2.1579 2.1939 2.2945 2.2955 2.6756 2.6820 3.7589 3.7633 4.0017 4.0025 5.5163 5.5250 5.9974 6.0024 6.8363 6.8371 7.9283 7.9302 8.4843 8.4904 9.6657 9.6683 k = 0.4118-1.3438-0.7875 ( 4738 PWs) bands (ev): -8.1395 -8.1393 -7.7969 -7.7963 -6.8141 -6.8141 -4.7786 -4.7775 -1.6621 -1.6591 -0.9319 -0.9297 -0.2101 -0.2064 0.2988 0.3144 0.5044 0.5485 0.6331 0.6363 0.7471 0.8489 0.9527 0.9572 1.6069 1.6089 1.7278 1.7319 2.1304 2.1661 2.2789 2.2799 2.6379 2.6427 3.7469 3.7508 3.9918 3.9925 5.5154 5.5232 5.9797 5.9842 6.8026 6.8033 7.9021 7.9038 8.4517 8.4572 9.6319 9.6342 k = 0.4216-1.3758-0.8062 ( 4738 PWs) bands (ev): -8.1120 -8.1117 -7.7759 -7.7753 -6.8092 -6.8092 -4.7633 -4.7623 -1.7026 -1.7000 -0.9729 -0.9709 -0.2224 -0.2198 0.2969 0.3122 0.5093 0.5493 0.6292 0.6369 0.7561 0.8518 0.9671 0.9684 1.5945 1.5961 1.7266 1.7327 2.1078 2.1422 2.2649 2.2659 2.6001 2.6032 3.7380 3.7415 3.9829 3.9835 5.5148 5.5218 5.9637 5.9678 6.7723 6.7729 7.8785 7.8800 8.4222 8.4271 9.6009 9.6029 k = 0.4314-1.4078-0.8250 ( 4743 PWs) bands (ev): -8.0869 -8.0867 -7.7571 -7.7565 -6.8050 -6.8050 -4.7495 -4.7487 -1.7392 -1.7370 -1.0098 -1.0081 -0.2330 -0.2313 0.2952 0.3099 0.5143 0.5495 0.6258 0.6359 0.7672 0.8537 0.9777 0.9842 1.5834 1.5847 1.7233 1.7315 2.0913 2.1236 2.2525 2.2536 2.5627 2.5642 3.7317 3.7347 3.9749 3.9755 5.5146 5.5208 5.9495 5.9532 6.7453 6.7458 7.8576 7.8589 8.3960 8.4003 9.5728 9.5745 k = 0.4412-1.4398-0.8437 ( 4751 PWs) bands (ev): -8.0645 -8.0643 -7.7405 -7.7400 -6.8016 -6.8016 -4.7375 -4.7367 -1.7717 -1.7698 -1.0423 -1.0409 -0.2421 -0.2411 0.2938 0.3074 0.5191 0.5492 0.6230 0.6340 0.7793 0.8546 0.9889 0.9994 1.5737 1.5749 1.7175 1.7275 2.0821 2.1112 2.2417 2.2428 2.5262 2.5263 3.7274 3.7300 3.9679 3.9684 5.5147 5.5201 5.9372 5.9404 6.7217 6.7221 7.8394 7.8406 8.3731 8.3768 9.5479 9.5494 k = 0.4510-1.4718-0.8625 ( 4762 PWs) bands (ev): -8.0451 -8.0450 -7.7262 -7.7258 -6.7990 -6.7989 -4.7271 -4.7264 -1.7996 -1.7981 -1.0703 -1.0691 -0.2498 -0.2492 0.2929 0.3049 0.5236 0.5485 0.6208 0.6314 0.7916 0.8545 1.0004 1.0134 1.5655 1.5665 1.7093 1.7205 2.0800 2.1052 2.2325 2.2336 2.4901 2.4914 3.7246 3.7267 3.9620 3.9624 5.5150 5.5195 5.9268 5.9295 6.7016 6.7020 7.8240 7.8250 8.3537 8.3568 9.5265 9.5277 k = 0.4608-1.5038-0.8812 ( 4763 PWs) bands (ev): -8.0289 -8.0288 -7.7144 -7.7140 -6.7969 -6.7968 -4.7185 -4.7180 -1.8228 -1.8216 -1.0934 -1.0925 -0.2561 -0.2558 0.2924 0.3024 0.5279 0.5476 0.6192 0.6286 0.8033 0.8534 1.0119 1.0256 1.5588 1.5595 1.6997 1.7111 2.0841 2.1050 2.2250 2.2261 2.4568 2.4590 3.7228 3.7246 3.9571 3.9574 5.5154 5.5190 5.9183 5.9204 6.6851 6.6854 7.8114 7.8122 8.3378 8.3403 9.5087 9.5097 k = 0.4706-1.5358-0.9000 ( 4765 PWs) bands (ev): -8.0161 -8.0159 -7.7051 -7.7048 -6.7953 -6.7953 -4.7118 -4.7114 -1.8410 -1.8401 -1.1115 -1.1109 -0.2610 -0.2609 0.2923 0.3001 0.5318 0.5464 0.6183 0.6259 0.8141 0.8514 1.0228 1.0353 1.5536 1.5541 1.6905 1.7008 2.0924 2.1087 2.2192 2.2202 2.4277 2.4304 3.7219 3.7232 3.9533 3.9535 5.5159 5.5186 5.9117 5.9133 6.6722 6.6724 7.8016 7.8022 8.3254 8.3273 9.4947 9.4954 k = 0.4804-1.5678-0.9187 ( 4759 PWs) bands (ev): -8.0068 -8.0067 -7.6984 -7.6982 -6.7943 -6.7943 -4.7069 -4.7066 -1.8540 -1.8535 -1.1246 -1.1241 -0.2646 -0.2645 0.2927 0.2980 0.5353 0.5449 0.6181 0.6234 0.8236 0.8483 1.0323 1.0418 1.5498 1.5502 1.6832 1.6910 2.1025 2.1138 2.2150 2.2159 2.4047 2.4072 3.7214 3.7223 3.9506 3.9507 5.5164 5.5182 5.9071 5.9082 6.6629 6.6631 7.7946 7.7950 8.3167 8.3179 9.4847 9.4851 k = 0.4902-1.5998-0.9375 ( 4761 PWs) bands (ev): -8.0011 -8.0011 -7.6944 -7.6943 -6.7937 -6.7936 -4.7039 -4.7038 -1.8619 -1.8616 -1.1324 -1.1321 -0.2667 -0.2667 0.2934 0.2962 0.5383 0.5431 0.6185 0.6213 0.8318 0.8440 1.0396 1.0447 1.5476 1.5478 1.6792 1.6834 2.1115 2.1173 2.2126 2.2131 2.3899 2.3914 3.7213 3.7217 3.9489 3.9490 5.5169 5.5178 5.9044 5.9050 6.6574 6.6575 7.7905 7.7907 8.3115 8.3121 9.4787 9.4789 k = 0.5000-1.6318-0.9562 ( 4770 PWs) bands (ev): -7.9992 -7.9992 -7.6930 -7.6930 -6.7935 -6.7935 -4.7029 -4.7029 -1.8644 -1.8644 -1.1349 -1.1349 -0.2674 -0.2674 0.2946 0.2946 0.5409 0.5409 0.6196 0.6196 0.8386 0.8386 1.0439 1.0439 1.5470 1.5470 1.6793 1.6793 2.1169 2.1169 2.2120 2.2120 2.3853 2.3853 3.7214 3.7214 3.9484 3.9484 5.5174 5.5174 5.9037 5.9037 6.6556 6.6556 7.7891 7.7891 8.3100 8.3100 9.4767 9.4767 k = 0.5000-1.6318-0.9562 ( 4770 PWs) bands (ev): -7.9992 -7.9992 -7.6930 -7.6930 -6.7935 -6.7935 -4.7029 -4.7029 -1.8644 -1.8644 -1.1349 -1.1349 -0.2674 -0.2674 0.2946 0.2946 0.5409 0.5409 0.6196 0.6196 0.8386 0.8386 1.0439 1.0439 1.5470 1.5470 1.6793 1.6793 2.1169 2.1169 2.2120 2.2120 2.3853 2.3853 3.7214 3.7214 3.9484 3.9484 5.5174 5.5174 5.9037 5.9037 6.6556 6.6556 7.7891 7.7891 8.3100 8.3100 9.4767 9.4767 k = 0.5000-1.6123-0.9895 ( 4762 PWs) bands (ev): -7.9988 -7.9987 -7.6927 -7.6926 -6.7932 -6.7932 -4.7027 -4.7025 -1.8637 -1.8633 -1.1343 -1.1342 -0.2670 -0.2668 0.2919 0.2976 0.5349 0.5467 0.6181 0.6209 0.8338 0.8431 1.0389 1.0491 1.5410 1.5423 1.6790 1.6810 2.0988 2.1051 2.2178 2.2245 2.3834 2.3900 3.7208 3.7227 3.9437 3.9453 5.5162 5.5187 5.8979 5.8995 6.6619 6.6625 7.7949 7.7956 8.3137 8.3139 9.4801 9.4804 k = 0.5000-1.5927-1.0229 ( 4754 PWs) bands (ev): -7.9974 -7.9973 -7.6917 -7.6916 -6.7924 -6.7923 -4.7019 -4.7016 -1.8611 -1.8602 -1.1325 -1.1324 -0.2655 -0.2650 0.2895 0.3008 0.5288 0.5523 0.6166 0.6222 0.8288 0.8474 1.0340 1.0544 1.5245 1.5270 1.6802 1.6841 2.0620 2.0716 2.2338 2.2444 2.3844 2.3971 3.7207 3.7246 3.9314 3.9346 5.5148 5.5201 5.8823 5.8855 6.6813 6.6824 7.8126 7.8140 8.3250 8.3255 9.4904 9.4910 k = 0.5000-1.5732-1.0562 ( 4758 PWs) bands (ev): -7.9951 -7.9949 -7.6900 -7.6899 -6.7911 -6.7910 -4.7006 -4.7001 -1.8566 -1.8554 -1.1295 -1.1293 -0.2629 -0.2622 0.2872 0.3042 0.5226 0.5578 0.6151 0.6231 0.8234 0.8515 1.0293 1.0597 1.4982 1.5015 1.6829 1.6884 2.0155 2.0271 2.2501 2.2634 2.3882 2.4060 3.7205 3.7269 3.9118 3.9170 5.5129 5.5214 5.8574 5.8626 6.7132 6.7149 7.8419 7.8442 8.3438 8.3446 9.5076 9.5085 k = 0.5000-1.5537-1.0896 ( 4750 PWs) bands (ev): -7.9919 -7.9917 -7.6877 -7.6876 -6.7893 -6.7891 -4.6987 -4.6981 -1.8503 -1.8486 -1.1253 -1.1250 -0.2593 -0.2584 0.2851 0.3079 0.5162 0.5630 0.6134 0.6238 0.8176 0.8553 1.0247 1.0650 1.4628 1.4667 1.6868 1.6939 1.9625 1.9756 2.2641 2.2792 2.3943 2.4159 3.7195 3.7290 3.8859 3.8937 5.5095 5.5219 5.8244 5.8322 6.7567 6.7589 7.8823 7.8853 8.3701 8.3712 9.5312 9.5325 k = 0.5000-1.5341-1.1229 ( 4748 PWs) bands (ev): -7.9878 -7.9875 -7.6847 -7.6846 -6.7869 -6.7868 -4.6963 -4.6956 -1.8422 -1.8401 -1.1200 -1.1196 -0.2548 -0.2536 0.2831 0.3118 0.5096 0.5680 0.6118 0.6241 0.8114 0.8588 1.0203 1.0701 1.4191 1.4236 1.6916 1.7004 1.9050 1.9191 2.2757 2.2915 2.4022 2.4260 3.7157 3.7295 3.8557 3.8669 5.5034 5.5207 5.7849 5.7962 6.8109 6.8136 7.9328 7.9366 8.4038 8.4051 9.5611 9.5626 k = 0.5000-1.5146-1.1562 ( 4754 PWs) bands (ev): -7.9829 -7.9825 -7.6811 -7.6810 -6.7841 -6.7840 -4.6934 -4.6925 -1.8322 -1.8297 -1.1135 -1.1131 -0.2494 -0.2479 0.2812 0.3160 0.5028 0.5726 0.6100 0.6238 0.8045 0.8620 1.0158 1.0748 1.3683 1.3734 1.6966 1.7080 1.8445 1.8588 2.2851 2.3005 2.4109 2.4358 3.7058 3.7250 3.8252 3.8407 5.4923 5.5158 5.7417 5.7576 6.8744 6.8774 7.9923 7.9970 8.4447 8.4464 9.5967 9.5986 k = 0.5000-1.4951-1.1896 ( 4744 PWs) bands (ev): -7.9771 -7.9766 -7.6769 -7.6768 -6.7809 -6.7807 -4.6900 -4.6890 -1.8206 -1.8176 -1.1060 -1.1055 -0.2431 -0.2413 0.2793 0.3203 0.4958 0.5768 0.6082 0.6229 0.7969 0.8648 1.0111 1.0786 1.3116 1.3178 1.6993 1.7164 1.7843 1.7966 2.2927 2.3068 2.4200 2.4447 3.6851 3.7081 3.8023 3.8203 5.4730 5.5035 5.6992 5.7207 6.9457 6.9490 8.0595 8.0651 8.4928 8.4948 9.6378 9.6399 k = 0.5000-1.4755-1.2229 ( 4738 PWs) bands (ev): -7.9705 -7.9700 -7.6722 -7.6720 -6.7772 -6.7770 -4.6862 -4.6850 -1.8072 -1.8037 -1.0975 -1.0969 -0.2362 -0.2340 0.2774 0.3247 0.4884 0.5802 0.6063 0.6209 0.7884 0.8670 1.0058 1.0801 1.2508 1.2593 1.6834 1.7203 1.7337 1.7463 2.2986 2.3107 2.4290 2.4527 3.6512 3.6740 3.7926 3.8090 5.4418 5.4782 5.6639 5.6898 7.0233 7.0269 8.1330 8.1395 8.5477 8.5501 9.6838 9.6862 k = 0.5000-1.4560-1.2562 ( 4738 PWs) bands (ev): -7.9631 -7.9626 -7.6670 -7.6668 -6.7732 -6.7729 -4.6819 -4.6806 -1.7921 -1.7881 -1.0880 -1.0874 -0.2287 -0.2262 0.2753 0.3292 0.4806 0.5824 0.6044 0.6179 0.7788 0.8686 0.9986 1.0756 1.1883 1.2030 1.6305 1.6628 1.7370 1.7413 2.3028 2.3123 2.4380 2.4599 3.6065 3.6276 3.7921 3.8052 5.3970 5.4357 5.6408 5.6676 7.1056 7.1094 8.2110 8.2184 8.6090 8.6117 9.7345 9.7371 k = 0.5000-1.4365-1.2896 ( 4736 PWs) bands (ev): -7.9551 -7.9545 -7.6613 -7.6611 -6.7688 -6.7686 -4.6773 -4.6759 -1.7754 -1.7709 -1.0778 -1.0770 -0.2208 -0.2179 0.2728 0.3337 0.4722 0.5825 0.6022 0.6140 0.7678 0.8692 0.9871 1.0546 1.1281 1.1610 1.5668 1.5986 1.7463 1.7507 2.3049 2.3113 2.4470 2.4666 3.5549 3.5748 3.7957 3.8060 5.3400 5.3781 5.6289 5.6538 7.1910 7.1948 8.2919 8.3003 8.6754 8.6784 9.7895 9.7924 k = 0.5000-1.4169-1.3229 ( 4732 PWs) bands (ev): -7.9464 -7.9457 -7.6552 -7.6550 -6.7642 -6.7639 -4.6723 -4.6708 -1.7573 -1.7522 -1.0668 -1.0660 -0.2127 -0.2094 0.2700 0.3380 0.4630 0.5795 0.5977 0.6111 0.7554 0.8679 0.9655 1.0089 1.0783 1.1432 1.5026 1.5360 1.7572 1.7628 2.3045 2.3076 2.4562 2.4731 3.4994 3.5186 3.8012 3.8094 5.2739 5.3102 5.6239 5.6459 7.2779 7.2818 8.3742 8.3834 8.7452 8.7483 9.8483 9.8514 k = 0.5000-1.3974-1.3562 ( 4730 PWs) bands (ev): -7.9372 -7.9364 -7.6488 -7.6485 -6.7593 -6.7590 -4.6670 -4.6654 -1.7377 -1.7320 -1.0552 -1.0543 -0.2047 -0.2010 0.2665 0.3420 0.4528 0.5727 0.5877 0.6110 0.7415 0.8608 0.9304 0.9507 1.0473 1.1397 1.4406 1.4765 1.7692 1.7757 2.3004 2.3020 2.4659 2.4799 3.4418 3.4608 3.8077 3.8142 5.2018 5.2363 5.6226 5.6419 7.3648 7.3688 8.4563 8.4662 8.8150 8.8182 9.9093 9.9127 k = 0.5000-1.3779-1.3896 ( 4730 PWs) bands (ev): -7.9274 -7.9266 -7.6420 -7.6417 -6.7543 -6.7539 -4.6615 -4.6597 -1.7167 -1.7105 -1.0432 -1.0422 -0.1970 -0.1929 0.2622 0.3453 0.4409 0.5616 0.5714 0.6123 0.7262 0.8357 0.8886 0.9035 1.0314 1.1412 1.3825 1.4215 1.7820 1.7892 2.2909 2.2954 2.4762 2.4874 3.3835 3.4026 3.8149 3.8200 5.1261 5.1590 5.6231 5.6401 7.4507 7.4547 8.5366 8.5472 8.8803 8.8835 9.9668 9.9710 k = 0.5000-1.3583-1.4229 ( 4736 PWs) bands (ev): -7.9172 -7.9164 -7.6351 -7.6347 -6.7491 -6.7487 -4.6558 -4.6539 -1.6946 -1.6877 -1.0309 -1.0298 -0.1901 -0.1856 0.2568 0.3474 0.4269 0.5450 0.5481 0.6136 0.7100 0.7908 0.8344 0.8920 1.0219 1.1439 1.3297 1.3719 1.7950 1.8029 2.2781 2.2857 2.4873 2.4960 3.3257 3.3450 3.8225 3.8266 5.0485 5.0800 5.6245 5.6395 7.5343 7.5383 8.6139 8.6249 8.9355 8.9385 10.0077 10.0136 k = 0.5000-1.3388-1.4563 ( 4744 PWs) bands (ev): -7.9067 -7.9058 -7.6279 -7.6276 -6.7439 -6.7435 -4.6499 -4.6479 -1.6715 -1.6638 -1.0185 -1.0172 -0.1844 -0.1795 0.2500 0.3472 0.4096 0.5152 0.5236 0.6143 0.6933 0.7453 0.7880 0.8886 1.0148 1.1465 1.2835 1.3287 1.8078 1.8166 2.2626 2.2727 2.4990 2.5058 3.2691 3.2886 3.8306 3.8338 4.9703 5.0006 5.6263 5.6396 7.6152 7.6191 8.6865 8.6979 8.9749 8.9776 10.0397 10.0465 k = 0.5000-1.3193-1.4896 ( 4740 PWs) bands (ev): -7.8960 -7.8950 -7.6207 -7.6203 -6.7387 -6.7382 -4.6439 -4.6418 -1.6474 -1.6389 -1.0061 -1.0048 -0.1803 -0.1751 0.2413 0.3426 0.3876 0.4746 0.4985 0.6136 0.6754 0.7098 0.7516 0.8874 1.0087 1.1474 1.2452 1.2924 1.8200 1.8297 2.2449 2.2569 2.5113 2.5170 3.2144 3.2340 3.8390 3.8416 4.8926 4.9219 5.6280 5.6399 7.6926 7.6966 8.7529 8.7646 8.9949 8.9972 10.0877 10.0945 k = 0.5000-1.2997-1.5229 ( 4740 PWs) bands (ev): -7.8851 -7.8840 -7.6135 -7.6131 -6.7335 -6.7330 -4.6380 -4.6358 -1.6227 -1.6134 -0.9941 -0.9925 -0.1784 -0.1732 0.2302 0.3283 0.3618 0.4286 0.4764 0.6106 0.6553 0.6879 0.7253 0.8871 1.0030 1.1447 1.2161 1.2633 1.8309 1.8417 2.2258 2.2390 2.5240 2.5296 3.1620 3.1816 3.8479 3.8502 4.8164 4.8445 5.6295 5.6402 7.7665 7.7705 8.8114 8.8231 8.9959 8.9977 10.1603 10.1668 k = 0.5000-1.2802-1.5563 ( 4738 PWs) bands (ev): -7.8742 -7.8730 -7.6064 -7.6059 -6.7284 -6.7280 -4.6320 -4.6298 -1.5977 -1.5874 -0.9826 -0.9808 -0.1795 -0.1743 0.2157 0.2961 0.3379 0.3836 0.4620 0.6036 0.6380 0.6737 0.7081 0.8874 0.9978 1.1366 1.1968 1.2416 1.8398 1.8521 2.2066 2.2199 2.5373 2.5433 3.1122 3.1317 3.8572 3.8595 4.7423 4.7693 5.6307 5.6403 7.8367 7.8407 8.8599 8.8711 8.9820 8.9840 10.2565 10.2625 k = 0.5000-1.2606-1.5896 ( 4736 PWs) bands (ev): -7.8634 -7.8622 -7.5994 -7.5989 -6.7236 -6.7231 -4.6262 -4.6239 -1.5725 -1.5613 -0.9719 -0.9699 -0.1840 -0.1793 0.1961 0.2514 0.3122 0.3476 0.4557 0.5926 0.6268 0.6619 0.6990 0.8883 0.9935 1.1241 1.1843 1.2273 1.8457 1.8599 2.1885 2.2012 2.5511 2.5579 3.0652 3.0844 3.8669 3.8697 4.6710 4.6969 5.6315 5.6401 7.9031 7.9072 8.8919 8.9005 8.9634 8.9683 10.3716 10.3773 k = 0.5000-1.2411-1.6229 ( 4732 PWs) bands (ev): -7.8528 -7.8516 -7.5926 -7.5921 -6.7190 -6.7184 -4.6206 -4.6182 -1.5476 -1.5353 -0.9622 -0.9599 -0.1925 -0.1885 0.1697 0.2033 0.2844 0.3227 0.4553 0.5809 0.6190 0.6518 0.6952 0.8899 0.9905 1.1107 1.1737 1.2196 1.8477 1.8644 2.1729 2.1843 2.5655 2.5731 3.0211 3.0398 3.8772 3.8806 4.6031 4.6277 5.6318 5.6394 7.9659 7.9701 8.8871 8.8923 8.9643 8.9749 10.5004 10.5060 k = 0.5000-1.2216-1.6563 ( 4732 PWs) bands (ev): -7.8426 -7.8413 -7.5862 -7.5857 -6.7147 -6.7141 -4.6153 -4.6128 -1.5233 -1.5099 -0.9538 -0.9510 -0.2050 -0.2022 0.1373 0.1564 0.2625 0.3035 0.4586 0.5710 0.6117 0.6443 0.6944 0.8921 0.9890 1.0986 1.1629 1.2163 1.8453 1.8647 2.1611 2.1708 2.5804 2.5888 2.9799 2.9979 3.8881 3.8922 4.5391 4.5624 5.6316 5.6384 8.0248 8.0293 8.8540 8.8592 8.9816 8.9936 10.6379 10.6435 k = 0.5000-1.2020-1.6896 ( 4728 PWs) bands (ev): -7.8330 -7.8316 -7.5802 -7.5797 -6.7107 -6.7101 -4.6103 -4.6077 -1.5002 -1.4856 -0.9467 -0.9435 -0.2213 -0.2199 0.1025 0.1133 0.2476 0.2878 0.4643 0.5641 0.6038 0.6394 0.6950 0.8949 0.9892 1.0883 1.1516 1.2152 1.8384 1.8605 2.1536 2.1618 2.5958 2.6050 2.9417 2.9587 3.8995 3.9044 4.4795 4.5015 5.6309 5.6368 8.0799 8.0847 8.8146 8.8204 8.9971 9.0094 10.7784 10.7839 k = 0.5000-1.1825-1.7230 ( 4732 PWs) bands (ev): -7.8240 -7.8226 -7.5747 -7.5742 -6.7072 -6.7066 -4.6057 -4.6031 -1.4787 -1.4629 -0.9412 -0.9374 -0.2407 -0.2404 0.0692 0.0754 0.2379 0.2755 0.4715 0.5599 0.5954 0.6365 0.6963 0.8982 0.9913 1.0798 1.1398 1.2148 1.8276 1.8522 2.1501 2.1577 2.6117 2.6216 2.9063 2.9223 3.9114 3.9171 4.4247 4.4453 5.6297 5.6348 8.1305 8.1357 8.7752 8.7819 9.0075 9.0197 10.9152 10.9200 k = 0.5000-1.1630-1.7563 ( 4732 PWs) bands (ev): -7.8159 -7.8145 -7.5698 -7.5692 -6.7041 -6.7035 -4.6015 -4.5989 -1.4595 -1.4424 -0.9370 -0.9327 -0.2631 -0.2611 0.0398 0.0434 0.2317 0.2664 0.4797 0.5583 0.5870 0.6350 0.6978 0.9017 0.9955 1.0729 1.1272 1.2144 1.8142 1.8406 2.1503 2.1580 2.6281 2.6387 2.8737 2.8886 3.9234 3.9300 4.3754 4.3946 5.6280 5.6323 8.1761 8.1819 8.7392 8.7468 9.0128 9.0249 11.0390 11.0424 k = 0.5000-1.1434-1.7896 ( 4732 PWs) bands (ev): -7.8089 -7.8074 -7.5656 -7.5650 -6.7015 -6.7009 -4.5980 -4.5953 -1.4429 -1.4248 -0.9343 -0.9294 -0.2850 -0.2815 0.0153 0.0176 0.2279 0.2603 0.4884 0.5584 0.5792 0.6342 0.6994 0.9051 1.0017 1.0671 1.1138 1.2136 1.7996 1.8272 2.1535 2.1616 2.6452 2.6565 2.8440 2.8576 3.9351 3.9425 4.3322 4.3499 5.6259 5.6294 8.2155 8.2219 8.7091 8.7174 9.0137 9.0256 11.1331 11.1401 k = 0.5000-1.1239-1.8230 ( 4740 PWs) bands (ev): -7.8030 -7.8015 -7.5621 -7.5615 -6.6994 -6.6988 -4.5951 -4.5924 -1.4296 -1.4105 -0.9326 -0.9273 -0.3048 -0.3000 -0.0039 -0.0019 0.2256 0.2567 0.4971 0.5583 0.5734 0.6338 0.7007 0.9081 1.0100 1.0624 1.0996 1.2125 1.7851 1.8131 2.1590 2.1674 2.6630 2.6751 2.8170 2.8293 3.9458 3.9539 4.2959 4.3121 5.6234 5.6262 8.2472 8.2543 8.6871 8.6961 9.0113 9.0229 11.1880 11.2018 k = 0.5000-1.1044-1.8563 ( 4732 PWs) bands (ev): -7.7985 -7.7970 -7.5595 -7.5589 -6.6979 -6.6973 -4.5929 -4.5902 -1.4199 -1.4000 -0.9319 -0.9261 -0.3207 -0.3149 -0.0182 -0.0151 0.2244 0.2550 0.5052 0.5553 0.5724 0.6333 0.7018 0.9105 1.0204 1.0584 1.0850 1.2113 1.7716 1.7995 2.1662 2.1746 2.6815 2.6947 2.7928 2.8035 3.9545 3.9632 4.2676 4.2825 5.6206 5.6226 8.2699 8.2776 8.6753 8.6845 9.0066 9.0178 11.2263 11.2422 k = 0.5000-1.0848-1.8896 ( 4730 PWs) bands (ev): -7.7956 -7.7941 -7.5578 -7.5572 -6.6970 -6.6963 -4.5915 -4.5888 -1.4139 -1.3934 -0.9316 -0.9256 -0.3313 -0.3248 -0.0276 -0.0225 0.2238 0.2544 0.5112 0.5508 0.5749 0.6328 0.7026 0.9121 1.0324 1.0551 1.0706 1.2100 1.7597 1.7871 2.1749 2.1828 2.7004 2.7155 2.7715 2.7800 3.9600 3.9690 4.2484 4.2623 5.6177 5.6189 8.2829 8.2908 8.6748 8.6835 9.0006 9.0113 11.2606 11.2772 k = 0.5000-1.0653-1.9230 ( 4724 PWs) bands (ev): -7.7945 -7.7929 -7.5571 -7.5565 -6.6966 -6.6960 -4.5909 -4.5882 -1.4115 -1.3908 -0.9317 -0.9255 -0.3357 -0.3290 -0.0321 -0.0244 0.2237 0.2545 0.5130 0.5489 0.5780 0.6321 0.7032 0.9129 1.0440 1.0521 1.0589 1.2088 1.7500 1.7767 2.1849 2.1920 2.7170 2.7374 2.7556 2.7590 3.9614 3.9704 4.2393 4.2527 5.6146 5.6153 8.2871 8.2950 8.6844 8.6921 8.9945 9.0045 11.2928 11.3096 k = 0.5000-1.0458-1.9563 ( 4728 PWs) bands (ev): -7.7952 -7.7936 -7.5576 -7.5570 -6.6968 -6.6962 -4.5913 -4.5886 -1.4123 -1.3917 -0.9319 -0.9257 -0.3334 -0.3268 -0.0321 -0.0213 0.2239 0.2547 0.5096 0.5508 0.5806 0.6315 0.7036 0.9126 1.0377 1.0548 1.0625 1.2078 1.7427 1.7686 2.1962 2.2024 2.7177 2.7371 2.7584 2.7632 3.9583 3.9672 4.2402 4.2539 5.6111 5.6121 8.2843 8.2922 8.7014 8.7075 8.9896 8.9988 11.3220 11.3386 k = 0.8283-0.9966-1.8685 ( 4728 PWs) bands (ev): -7.7952 -7.7936 -7.5576 -7.5570 -6.6968 -6.6962 -4.5913 -4.5886 -1.4123 -1.3917 -0.9319 -0.9257 -0.3334 -0.3268 -0.0321 -0.0213 0.2239 0.2547 0.5096 0.5508 0.5806 0.6315 0.7036 0.9126 1.0377 1.0548 1.0625 1.2078 1.7427 1.7686 2.1962 2.2024 2.7177 2.7371 2.7584 2.7632 3.9583 3.9672 4.2402 4.2539 5.6111 5.6121 8.2843 8.2922 8.7014 8.7075 8.9896 8.9988 11.3220 11.3386 k = 0.8226-0.9778-1.8350 ( 4736 PWs) bands (ev): -7.7980 -7.7965 -7.5592 -7.5586 -6.6976 -6.6970 -4.5926 -4.5900 -1.4158 -1.3955 -0.9318 -0.9258 -0.3241 -0.3181 -0.0279 -0.0135 0.2241 0.2548 0.5027 0.5539 0.5824 0.6311 0.7040 0.9114 1.0251 1.0555 1.0775 1.2070 1.7381 1.7633 2.2088 2.2148 2.7031 2.7180 2.7791 2.7887 3.9515 3.9600 4.2507 4.2651 5.6077 5.6095 8.2773 8.2851 8.7221 8.7264 8.9874 8.9955 11.3435 11.3530 k = 0.8168-0.9590-1.8014 ( 4742 PWs) bands (ev): -7.8030 -7.8015 -7.5621 -7.5615 -6.6990 -6.6984 -4.5951 -4.5924 -1.4211 -1.4015 -0.9312 -0.9254 -0.3081 -0.3032 -0.0198 -0.0014 0.2242 0.2546 0.4944 0.5546 0.5847 0.6310 0.7044 0.9092 1.0130 1.0583 1.0931 1.2062 1.7368 1.7613 2.2229 2.2296 2.6856 2.6990 2.8047 2.8164 3.9422 3.9504 4.2692 4.2848 5.6046 5.6072 8.2682 8.2761 8.7421 8.7452 8.9895 8.9967 11.3140 11.3219 k = 0.8110-0.9402-1.7679 ( 4742 PWs) bands (ev): -7.8103 -7.8088 -7.5664 -7.5658 -6.7010 -6.7004 -4.5986 -4.5960 -1.4275 -1.4086 -0.9298 -0.9242 -0.2863 -0.2827 -0.0080 0.0146 0.2241 0.2539 0.4859 0.5509 0.5886 0.6309 0.7049 0.9060 1.0017 1.0632 1.1084 1.2054 1.7391 1.7630 2.2386 2.2469 2.6673 2.6801 2.8327 2.8458 3.9320 3.9396 4.2945 4.3114 5.6020 5.6056 8.2587 8.2669 8.7576 8.7614 8.9977 9.0044 11.2539 11.2620 k = 0.8053-0.9214-1.7343 ( 4736 PWs) bands (ev): -7.8200 -7.8186 -7.5722 -7.5716 -6.7036 -6.7030 -4.6033 -4.6007 -1.4342 -1.4161 -0.9271 -0.9216 -0.2597 -0.2570 0.0073 0.0344 0.2238 0.2530 0.4776 0.5432 0.5938 0.6306 0.7055 0.9016 0.9912 1.0699 1.1228 1.2050 1.7459 1.7689 2.2564 2.2667 2.6486 2.6610 2.8625 2.8768 3.9219 3.9290 4.3253 4.3434 5.6001 5.6047 8.2501 8.2585 8.7667 8.7726 9.0126 9.0195 11.1860 11.1931 k = 0.7995-0.9026-1.7008 ( 4736 PWs) bands (ev): -7.8321 -7.8307 -7.5796 -7.5790 -6.7067 -6.7061 -4.6092 -4.6066 -1.4402 -1.4230 -0.9228 -0.9174 -0.2304 -0.2261 0.0258 0.0579 0.2231 0.2521 0.4700 0.5332 0.5991 0.6299 0.7062 0.8960 0.9812 1.0779 1.1356 1.2059 1.7574 1.7794 2.2763 2.2886 2.6294 2.6416 2.8937 2.9091 3.9126 3.9192 4.3607 4.3800 5.5991 5.6046 8.2429 8.2517 8.7700 8.7777 9.0339 9.0415 11.1150 11.1213 k = 0.7938-0.8838-1.6672 ( 4734 PWs) bands (ev): -7.8467 -7.8454 -7.5886 -7.5880 -6.7103 -6.7098 -4.6164 -4.6138 -1.4451 -1.4287 -0.9164 -0.9111 -0.1993 -0.1913 0.0475 0.0849 0.2219 0.2517 0.4634 0.5220 0.6037 0.6288 0.7068 0.8890 0.9715 1.0858 1.1462 1.2097 1.7742 1.7946 2.2984 2.3124 2.6101 2.6220 2.9262 2.9426 3.9046 3.9108 4.4002 4.4206 5.5990 5.6055 8.2376 8.2466 8.7686 8.7776 9.0603 9.0685 11.0437 11.0495 k = 0.7880-0.8650-1.6337 ( 4734 PWs) bands (ev): -7.8637 -7.8624 -7.5993 -7.5987 -6.7145 -6.7140 -4.6248 -4.6223 -1.4481 -1.4327 -0.9077 -0.9023 -0.1671 -0.1542 0.0718 0.1153 0.2205 0.2528 0.4577 0.5105 0.6070 0.6278 0.7075 0.8804 0.9620 1.0915 1.1552 1.2179 1.7961 1.8148 2.3222 2.3373 2.5909 2.6024 2.9597 2.9770 3.8983 3.9041 4.4432 4.4647 5.6001 5.6075 8.2343 8.2436 8.7642 8.7739 9.0899 9.0985 10.9736 10.9791 k = 0.7822-0.8462-1.6001 ( 4738 PWs) bands (ev): -7.8831 -7.8819 -7.6118 -7.6111 -6.7193 -6.7188 -4.6346 -4.6320 -1.4489 -1.4343 -0.8963 -0.8908 -0.1348 -0.1156 0.0976 0.1489 0.2191 0.2569 0.4531 0.4996 0.6085 0.6273 0.7080 0.8700 0.9527 1.0926 1.1651 1.2304 1.8233 1.8400 2.3473 2.3625 2.5726 2.5834 2.9940 3.0123 3.8939 3.8994 4.4896 4.5120 5.6022 5.6107 8.2329 8.2425 8.7579 8.7679 9.1208 9.1298 10.9058 10.9113 k = 0.7765-0.8274-1.5666 ( 4734 PWs) bands (ev): -7.9048 -7.9037 -7.6261 -7.6254 -6.7245 -6.7241 -4.6456 -4.6431 -1.4470 -1.4332 -0.8820 -0.8764 -0.1030 -0.0765 0.1226 0.1843 0.2194 0.2667 0.4497 0.4898 0.6078 0.6276 0.7086 0.8578 0.9437 1.0881 1.1782 1.2461 1.8552 1.8699 2.3724 2.3863 2.5564 2.5662 3.0292 3.0483 3.8916 3.8969 4.5390 4.5623 5.6056 5.6150 8.2335 8.2433 8.7508 8.7609 9.1517 9.1609 10.8412 10.8467 k = 0.7707-0.8086-1.5330 ( 4734 PWs) bands (ev): -7.9288 -7.9278 -7.6422 -7.6416 -6.7304 -6.7299 -4.6580 -4.6555 -1.4423 -1.4293 -0.8648 -0.8590 -0.0722 -0.0374 0.1435 0.2071 0.2358 0.2853 0.4475 0.4818 0.6056 0.6283 0.7093 0.8441 0.9352 1.0791 1.1945 1.2641 1.8917 1.9041 2.3957 2.4058 2.5442 2.5535 3.0650 3.0849 3.8917 3.8967 4.5913 4.6153 5.6101 5.6205 8.2359 8.2458 8.7438 8.7538 9.1814 9.1909 10.7803 10.7858 k = 0.7650-0.7898-1.4995 ( 4736 PWs) bands (ev): -7.9550 -7.9540 -7.6603 -7.6596 -6.7368 -6.7364 -4.6716 -4.6692 -1.4346 -1.4222 -0.8445 -0.8386 -0.0425 0.0012 0.1582 0.2094 0.2755 0.3138 0.4468 0.4763 0.6024 0.6290 0.7102 0.8293 0.9270 1.0674 1.2130 1.2835 1.9321 1.9425 2.4129 2.4171 2.5382 2.5507 3.1016 3.1221 3.8943 3.8992 4.6462 4.6709 5.6158 5.6271 8.2398 8.2497 8.7374 8.7470 9.2091 9.2188 10.7237 10.7292 k = 0.7592-0.7710-1.4659 ( 4732 PWs) bands (ev): -7.9832 -7.9823 -7.6801 -7.6794 -6.7438 -6.7434 -4.6866 -4.6842 -1.4237 -1.4120 -0.8211 -0.8150 -0.0139 0.0390 0.1677 0.2095 0.3194 0.3493 0.4487 0.4751 0.5988 0.6296 0.7113 0.8142 0.9194 1.0541 1.2330 1.3038 1.9761 1.9844 2.4152 2.4214 2.5425 2.5611 3.1388 3.1599 3.8996 3.9044 4.7036 4.7288 5.6226 5.6347 8.2449 8.2549 8.7322 8.7413 9.2342 9.2441 10.6717 10.6772 k = 0.7534-0.7522-1.4324 ( 4724 PWs) bands (ev): -8.0133 -8.0125 -7.7017 -7.7010 -6.7514 -6.7510 -4.7028 -4.7005 -1.4098 -1.3987 -0.7948 -0.7885 0.0139 0.0759 0.1748 0.2099 0.3608 0.3842 0.4565 0.4823 0.5951 0.6305 0.7128 0.7996 0.9121 1.0402 1.2540 1.3248 2.0230 2.0296 2.4058 2.4165 2.5590 2.5817 3.1769 3.1984 3.9080 3.9127 4.7633 4.7890 5.6304 5.6433 8.2511 8.2610 8.7284 8.7369 9.2560 9.2662 10.6246 10.6300 k = 0.7477-0.7334-1.3988 ( 4728 PWs) bands (ev): -8.0452 -8.0444 -7.7251 -7.7244 -6.7596 -6.7593 -4.7203 -4.7180 -1.3929 -1.3823 -0.7655 -0.7591 0.0411 0.1111 0.1823 0.2113 0.3912 0.4072 0.4780 0.5047 0.5916 0.6331 0.7148 0.7866 0.9052 1.0261 1.2757 1.3460 2.0725 2.0774 2.3913 2.4040 2.5838 2.6079 3.2158 3.2375 3.9196 3.9243 4.8251 4.8511 5.6391 5.6528 8.2582 8.2677 8.7265 8.7342 9.2742 9.2847 10.5825 10.5879 k = 0.7419-0.7146-1.3653 ( 4728 PWs) bands (ev): -8.0788 -8.0780 -7.7502 -7.7494 -6.7685 -6.7682 -4.7390 -4.7367 -1.3733 -1.3630 -0.7334 -0.7269 0.0676 0.1428 0.1937 0.2142 0.4063 0.4159 0.5127 0.5419 0.5885 0.6413 0.7175 0.7768 0.8986 1.0123 1.2978 1.3673 2.1239 2.1276 2.3744 2.3877 2.6130 2.6369 3.2556 3.2775 3.9348 3.9394 4.8887 4.9150 5.6486 5.6630 8.2657 8.2750 8.7267 8.7336 9.2886 9.2994 10.5455 10.5509 k = 0.7362-0.6958-1.3317 ( 4726 PWs) bands (ev): -8.1137 -8.1131 -7.7768 -7.7760 -6.7781 -6.7778 -4.7589 -4.7566 -1.3511 -1.3412 -0.6987 -0.6921 0.0936 0.1672 0.2132 0.2196 0.4126 0.4180 0.5434 0.5796 0.5920 0.6622 0.7222 0.7723 0.8923 0.9990 1.3203 1.3887 2.1766 2.1793 2.3569 2.3699 2.6443 2.6674 3.2964 3.3183 3.9537 3.9582 4.9539 4.9804 5.6588 5.6738 8.2736 8.2824 8.7293 8.7352 9.2989 9.3100 10.5134 10.5188 k = 0.7304-0.6770-1.2982 ( 4732 PWs) bands (ev): -8.1501 -8.1494 -7.8048 -7.8040 -6.7883 -6.7880 -4.7798 -4.7776 -1.3267 -1.3171 -0.6615 -0.6549 0.1188 0.1847 0.2247 0.2444 0.4149 0.4184 0.5567 0.5827 0.6313 0.6932 0.7355 0.7774 0.8865 0.9865 1.3433 1.4102 2.2294 2.2308 2.3406 2.3525 2.6768 2.6986 3.3382 3.3600 3.9767 3.9811 5.0204 5.0470 5.6696 5.6852 8.2817 8.2901 8.7343 8.7393 9.3054 9.3168 10.4858 10.4912 k = 0.7246-0.6582-1.2646 ( 4740 PWs) bands (ev): -8.1875 -8.1869 -7.8342 -7.8334 -6.7993 -6.7990 -4.8018 -4.7996 -1.3005 -1.2912 -0.6220 -0.6154 0.1427 0.2007 0.2341 0.2778 0.4150 0.4197 0.5568 0.5841 0.6652 0.7092 0.7762 0.7987 0.8816 0.9751 1.3671 1.4318 2.2736 2.2776 2.3333 2.3410 2.7100 2.7303 3.3808 3.4024 4.0038 4.0082 5.0880 5.1144 5.6809 5.6970 8.2900 8.2977 8.7419 8.7458 9.3080 9.3197 10.4619 10.4672 k = 0.7189-0.6394-1.2311 ( 4752 PWs) bands (ev): -8.2260 -8.2254 -7.8649 -7.8641 -6.8109 -6.8106 -4.8247 -4.8225 -1.2731 -1.2639 -0.5803 -0.5738 0.1649 0.2183 0.2461 0.3115 0.4152 0.4219 0.5518 0.5864 0.6847 0.7138 0.8333 0.8368 0.8795 0.9654 1.3918 1.4539 2.2802 2.2936 2.3587 2.3661 2.7439 2.7626 3.4241 3.4454 4.0355 4.0398 5.1562 5.1823 5.6929 5.7094 8.2983 8.3054 8.7520 8.7548 9.3072 9.3192 10.4402 10.4456 k = 0.7131-0.6206-1.1975 ( 4756 PWs) bands (ev): -8.2652 -8.2647 -7.8966 -7.8958 -6.8232 -6.8230 -4.8486 -4.8464 -1.2449 -1.2359 -0.5366 -0.5303 0.1853 0.2380 0.2615 0.3422 0.4184 0.4250 0.5460 0.5896 0.6942 0.7164 0.8620 0.8907 0.9047 0.9613 1.4180 1.4768 2.2651 2.2796 2.4094 2.4177 2.7784 2.7956 3.4679 3.4887 4.0718 4.0761 5.2245 5.2501 5.7057 5.7225 8.3068 8.3133 8.7643 8.7663 9.3033 9.3157 10.4186 10.4242 k = 0.7074-0.6018-1.1640 ( 4754 PWs) bands (ev): -8.3052 -8.3047 -7.9292 -7.9285 -6.8362 -6.8360 -4.8732 -4.8710 -1.2166 -1.2078 -0.4908 -0.4848 0.2044 0.2583 0.2809 0.3648 0.4288 0.4295 0.5422 0.5940 0.6994 0.7188 0.8617 0.9203 0.9669 0.9836 1.4461 1.5011 2.2459 2.2606 2.4647 2.4735 2.8135 2.8295 3.5117 3.5321 4.1129 4.1175 5.2922 5.3170 5.7197 5.7365 8.3155 8.3214 8.7785 8.7803 9.2969 9.3095 10.3945 10.4004 k = 0.7016-0.5830-1.1304 ( 4760 PWs) bands (ev): -8.3457 -8.3452 -7.9627 -7.9619 -6.8498 -6.8496 -4.8985 -4.8964 -1.1888 -1.1801 -0.4432 -0.4375 0.2225 0.2772 0.3043 0.3763 0.4361 0.4479 0.5434 0.5996 0.7033 0.7211 0.8588 0.9200 1.0336 1.0400 1.4764 1.5271 2.2253 2.2404 2.5206 2.5300 2.8496 2.8644 3.5554 3.5753 4.1590 4.1641 5.3585 5.3819 5.7356 5.7523 8.3247 8.3300 8.7942 8.7965 9.2884 9.3012 10.3653 10.3719 k = 0.6958-0.5642-1.0969 ( 4764 PWs) bands (ev): -8.3865 -8.3861 -7.9968 -7.9961 -6.8641 -6.8639 -4.9245 -4.9224 -1.1622 -1.1537 -0.3937 -0.3883 0.2398 0.2936 0.3301 0.3813 0.4459 0.4691 0.5532 0.6066 0.7073 0.7236 0.8560 0.9132 1.1012 1.1056 1.5096 1.5555 2.2042 2.2196 2.5761 2.5861 2.8866 2.9006 3.5985 3.6181 4.2102 4.2160 5.4220 5.4431 5.7546 5.7707 8.3345 8.3393 8.8111 8.8143 9.2784 9.2913 10.3307 10.3383 k = 0.6901-0.5454-1.0633 ( 4766 PWs) bands (ev): -8.4275 -8.4272 -8.0315 -8.0307 -6.8789 -6.8787 -4.9510 -4.9489 -1.1373 -1.1291 -0.3423 -0.3372 0.2558 0.3065 0.3555 0.3841 0.4606 0.4884 0.5733 0.6152 0.7121 0.7262 0.8539 0.9054 1.1697 1.1737 1.5459 1.5868 2.1829 2.1988 2.6306 2.6411 2.9248 2.9382 3.6410 3.6601 4.2666 4.2732 5.4808 5.4986 5.7785 5.7936 8.3452 8.3496 8.8289 8.8331 9.2674 9.2802 10.2926 10.3010 k = 0.6843-0.5266-1.0298 ( 4768 PWs) bands (ev): -8.4687 -8.4683 -8.0665 -8.0658 -6.8943 -6.8941 -4.9779 -4.9758 -1.1147 -1.1068 -0.2892 -0.2843 0.2703 0.3150 0.3779 0.3860 0.4810 0.5092 0.6004 0.6256 0.7183 0.7295 0.8527 0.8976 1.2391 1.2428 1.5856 1.6214 2.1619 2.1783 2.6834 2.6942 2.9644 2.9774 3.6826 3.7013 4.3280 4.3357 5.5325 5.5458 5.8091 5.8234 8.3571 8.3610 8.8469 8.8522 9.2557 9.2685 10.2533 10.2623 k = 0.6786-0.5079-0.9962 ( 4762 PWs) bands (ev): -8.5097 -8.5094 -8.1018 -8.1010 -6.9102 -6.9100 -5.0052 -5.0031 -1.0949 -1.0874 -0.2344 -0.2297 0.2829 0.3194 0.3864 0.3959 0.5062 0.5369 0.6300 0.6384 0.7252 0.7354 0.8528 0.8902 1.3092 1.3123 1.6288 1.6597 2.1416 2.1584 2.7340 2.7450 3.0054 3.0180 3.7233 3.7416 4.3944 4.4033 5.5748 5.5831 5.8479 5.8623 8.3702 8.3739 8.8644 8.8709 9.2440 9.2565 10.2147 10.2243 k = 0.6728-0.4891-0.9627 ( 4756 PWs) bands (ev): -8.5506 -8.5503 -8.1371 -8.1364 -6.9265 -6.9263 -5.0327 -5.0306 -1.0781 -1.0711 -0.1782 -0.1736 0.2936 0.3210 0.3859 0.4092 0.5328 0.5732 0.6524 0.6600 0.7309 0.7482 0.8544 0.8833 1.3800 1.3823 1.6755 1.7017 2.1225 2.1396 2.7820 2.7931 3.0481 3.0603 3.7631 3.7810 4.4656 4.4758 5.6059 5.6112 5.8950 5.9108 8.3850 8.3885 8.8806 8.8883 9.2327 9.2446 10.1784 10.1884 k = 0.6670-0.4703-0.9291 ( 4758 PWs) bands (ev): -8.5912 -8.5909 -8.1725 -8.1718 -6.9432 -6.9430 -5.0603 -5.0583 -1.0645 -1.0581 -0.1213 -0.1165 0.3024 0.3208 0.3847 0.4198 0.5579 0.6160 0.6689 0.6875 0.7359 0.7698 0.8582 0.8772 1.4513 1.4526 1.7256 1.7475 2.1052 2.1226 2.8270 2.8379 3.0924 3.1040 3.8021 3.8196 4.5412 4.5527 5.6260 5.6326 5.9492 5.9668 8.4017 8.4050 8.8943 8.9032 9.2223 9.2334 10.1455 10.1557 k = 0.6613-0.4515-0.8956 ( 4756 PWs) bands (ev): -8.6313 -8.6311 -8.2077 -8.2071 -6.9602 -6.9600 -5.0880 -5.0860 -1.0541 -1.0484 -0.0645 -0.0593 0.3094 0.3196 0.3837 0.4289 0.5797 0.6607 0.6852 0.7162 0.7422 0.7990 0.8652 0.8727 1.5229 1.5233 1.7788 1.7969 2.0907 2.1080 2.8687 2.8793 3.1381 3.1492 3.8403 3.8574 4.6208 4.6336 5.6387 5.6480 6.0088 6.0278 8.4203 8.4236 8.9042 8.9145 9.2134 9.2234 10.1169 10.1272 k = 0.6555-0.4327-0.8620 ( 4750 PWs) bands (ev): -8.6709 -8.6707 -8.2426 -8.2420 -6.9775 -6.9772 -5.1156 -5.1136 -1.0469 -1.0419 -0.0089 -0.0031 0.3146 0.3179 0.3841 0.4372 0.5974 0.6904 0.7112 0.7481 0.7538 0.8310 0.8731 0.8771 1.5939 1.5946 1.8349 1.8496 2.0800 2.0969 2.9069 2.9172 3.1852 3.1955 3.8779 3.8945 4.7041 4.7183 5.6469 5.6586 6.0717 6.0917 8.4411 8.4444 8.9092 8.9209 9.2067 9.2153 10.0932 10.1035 k = 0.6498-0.4139-0.8285 ( 4758 PWs) bands (ev): -8.7098 -8.7097 -8.2772 -8.2766 -6.9949 -6.9946 -5.1431 -5.1411 -1.0428 -1.0384 0.0439 0.0510 0.3159 0.3183 0.3867 0.4450 0.6116 0.7014 0.7363 0.7791 0.7864 0.8491 0.8929 0.8968 1.6640 1.6654 1.8936 1.9051 2.0745 2.0906 2.9417 2.9516 3.2332 3.2427 3.9149 3.9310 4.7905 4.8060 5.6521 5.6657 6.1363 6.1569 8.4642 8.4676 8.9079 8.9210 9.2027 9.2098 10.0749 10.0850 k = 0.6440-0.3951-0.7949 ( 4766 PWs) bands (ev): -8.7480 -8.7479 -8.3113 -8.3107 -7.0124 -7.0121 -5.1703 -5.1684 -1.0413 -1.0376 0.0919 0.1013 0.3140 0.3200 0.3926 0.4528 0.6233 0.7090 0.7468 0.8141 0.8286 0.8561 0.9216 0.9354 1.7326 1.7346 1.9544 1.9626 2.0768 2.0909 2.9731 2.9827 3.2819 3.2905 3.9513 3.9669 4.8793 4.8962 5.6555 5.6709 6.2016 6.2224 8.4896 8.4932 8.8996 8.9138 9.2015 9.2071 10.0621 10.0720 k = 0.6382-0.3763-0.7614 ( 4762 PWs) bands (ev): -8.7854 -8.7853 -8.3448 -8.3442 -7.0299 -7.0296 -5.1972 -5.1953 -1.0423 -1.0393 0.1335 0.1465 0.3122 0.3203 0.4023 0.4604 0.6333 0.7153 0.7529 0.8306 0.8741 0.8833 0.9561 0.9806 1.7983 1.8010 2.0144 2.0196 2.0918 2.1018 3.0013 3.0107 3.3309 3.3386 3.9871 4.0021 4.9698 4.9880 5.6581 5.6751 6.2667 6.2874 8.5172 8.5211 8.8841 8.8991 9.2028 9.2072 10.0550 10.0644 k = 0.6325-0.3575-0.7278 ( 4768 PWs) bands (ev): -8.8218 -8.8217 -8.3776 -8.3770 -7.0473 -7.0471 -5.2236 -5.2218 -1.0455 -1.0431 0.1674 0.1853 0.3105 0.3195 0.4155 0.4678 0.6423 0.7207 0.7571 0.8312 0.9223 0.9321 0.9949 1.0257 1.8596 1.8631 2.0618 2.0730 2.1270 2.1345 3.0265 3.0357 3.3799 3.3868 4.0224 4.0367 5.0607 5.0804 5.6612 5.6798 6.3311 6.3515 8.5469 8.5512 8.8619 8.8772 9.2060 9.2094 10.0532 10.0621 k = 0.6267-0.3387-0.6942 ( 4762 PWs) bands (ev): -8.8573 -8.8572 -8.4096 -8.4091 -7.0646 -7.0644 -5.2496 -5.2478 -1.0506 -1.0487 0.1935 0.2171 0.3089 0.3180 0.4309 0.4749 0.6508 0.7257 0.7598 0.8287 0.9773 0.9891 1.0341 1.0688 1.9153 1.9201 2.0995 2.1149 2.1846 2.1947 3.0491 3.0581 3.4288 3.4348 4.0569 4.0705 5.1503 5.1715 5.6665 5.6866 6.3942 6.4143 8.5780 8.5831 8.8338 8.8489 9.2098 9.2128 10.0564 10.0647 k = 0.6210-0.3199-0.6607 ( 4764 PWs) bands (ev): -8.8916 -8.8915 -8.4407 -8.4402 -7.0817 -7.0815 -5.2749 -5.2732 -1.0572 -1.0558 0.2128 0.2419 0.3075 0.3162 0.4469 0.4814 0.6589 0.7303 0.7616 0.8255 1.0396 1.0512 1.0715 1.1094 1.9661 1.9720 2.1406 2.1558 2.2563 2.2668 3.0691 3.0781 3.4774 3.4826 4.0906 4.1034 5.2359 5.2583 5.6768 5.6982 6.4557 6.4753 8.6091 8.6159 8.8017 8.8160 9.2135 9.2161 10.0640 10.0717 k = 0.6152-0.3011-0.6271 ( 4762 PWs) bands (ev): -8.9248 -8.9247 -8.4709 -8.4705 -7.0985 -7.0983 -5.2996 -5.2979 -1.0651 -1.0641 0.2267 0.2603 0.3062 0.3146 0.4619 0.4871 0.6669 0.7346 0.7626 0.8221 1.0944 1.1104 1.1194 1.1543 2.0139 2.0207 2.1883 2.2028 2.3338 2.3445 3.0871 3.0960 3.5257 3.5302 4.1233 4.1353 5.3132 5.3359 5.6968 5.7187 6.5154 6.5344 8.6362 8.6467 8.7694 8.7820 9.2159 9.2184 10.0756 10.0825 k = 0.6094-0.2823-0.5936 ( 4754 PWs) bands (ev): -8.9567 -8.9566 -8.5001 -8.4996 -7.1150 -7.1148 -5.3236 -5.3219 -1.0740 -1.0734 0.2368 0.2731 0.3049 0.3135 0.4747 0.4920 0.6748 0.7388 0.7631 0.8188 1.1223 1.1482 1.1954 1.2202 2.0612 2.0681 2.2419 2.2560 2.4143 2.4251 3.1031 3.1121 3.5737 3.5775 4.1549 4.1660 5.3764 5.3975 5.7331 5.7537 6.5729 6.5913 8.6461 8.6632 8.7494 8.7598 9.2165 9.2188 10.0902 10.0965 k = 0.6037-0.2635-0.5600 ( 4746 PWs) bands (ev): -8.9873 -8.9873 -8.5281 -8.5277 -7.1311 -7.1309 -5.3467 -5.3451 -1.0836 -1.0833 0.2442 0.2809 0.3036 0.3133 0.4848 0.4961 0.6825 0.7429 0.7634 0.8155 1.1413 1.1700 1.2799 1.3012 2.1091 2.1156 2.3005 2.3144 2.4960 2.5071 3.1176 3.1267 3.6215 3.6247 4.1852 4.1954 5.4208 5.4379 5.7904 5.8075 6.6281 6.6457 8.6230 8.6423 8.7611 8.7682 9.2149 9.2169 10.1007 10.1069 k = 0.5979-0.2447-0.5265 ( 4750 PWs) bands (ev): -9.0166 -9.0166 -8.5550 -8.5546 -7.1466 -7.1464 -5.3689 -5.3674 -1.0939 -1.0937 0.2497 0.2850 0.3021 0.3141 0.4921 0.4998 0.6901 0.7467 0.7635 0.8123 1.1539 1.1834 1.3696 1.3889 2.1575 2.1632 2.3636 2.3775 2.5775 2.5889 3.1310 3.1402 3.6694 3.6719 4.2141 4.2233 5.4467 5.4588 5.8667 5.8798 6.6809 6.6977 8.5783 8.5965 8.7907 8.7947 9.2112 9.2131 10.0373 10.0450 k = 0.5922-0.2259-0.4929 ( 4748 PWs) bands (ev): -9.0445 -9.0445 -8.5807 -8.5803 -7.1617 -7.1615 -5.3902 -5.3888 -1.1046 -1.1043 0.2540 0.2865 0.3003 0.3152 0.4965 0.5035 0.6974 0.7503 0.7635 0.8092 1.1611 1.1907 1.4628 1.4808 2.2053 2.2102 2.4311 2.4452 2.6574 2.6692 3.1436 3.1532 3.7174 3.7194 4.2413 4.2496 5.4581 5.4659 5.9558 5.9658 6.7309 6.7469 8.5244 8.5413 8.8220 8.8239 9.2064 9.2085 9.9710 9.9787 k = 0.5864-0.2071-0.4594 ( 4750 PWs) bands (ev): -9.0710 -9.0709 -8.6051 -8.6047 -7.1761 -7.1759 -5.4105 -5.4092 -1.1154 -1.1150 0.2575 0.2866 0.2985 0.3162 0.4990 0.5068 0.7045 0.7537 0.7636 0.8063 1.1640 1.1932 1.5584 1.5752 2.2513 2.2555 2.5030 2.5173 2.7343 2.7466 3.1561 3.1661 3.7660 3.7675 4.2667 4.2741 5.4598 5.4644 6.0522 6.0605 6.7783 6.7934 8.4651 8.4811 8.8473 8.8485 9.2032 9.2062 9.9045 9.9120 k = 0.5806-0.1883-0.4258 ( 4760 PWs) bands (ev): -9.0959 -9.0959 -8.6281 -8.6278 -7.1898 -7.1896 -5.4298 -5.4285 -1.1262 -1.1257 0.2603 0.2859 0.2967 0.3167 0.5004 0.5093 0.7112 0.7568 0.7639 0.8034 1.1634 1.1920 1.6552 1.6710 2.2946 2.2983 2.5789 2.5934 2.8064 2.8195 3.1692 3.1797 3.8153 3.8163 4.2902 4.2967 5.4551 5.4575 6.1523 6.1599 6.8228 6.8370 8.4022 8.4173 8.8606 8.8629 9.2057 9.2100 9.8380 9.8451 k = 0.5749-0.1695-0.3923 ( 4760 PWs) bands (ev): -9.1193 -9.1193 -8.6497 -8.6495 -7.2029 -7.2027 -5.4479 -5.4467 -1.1367 -1.1362 0.2628 0.2849 0.2949 0.3166 0.5012 0.5109 0.7177 0.7592 0.7647 0.8007 1.1602 1.1879 1.7523 1.7672 2.3348 2.3381 2.6579 2.6727 2.8719 2.8862 3.1838 3.1950 3.8656 3.8663 4.3117 4.3173 5.4460 5.4468 6.2539 6.2612 6.8643 6.8776 8.3366 8.3509 8.8582 8.8616 9.2181 9.2235 9.7719 9.7784 k = 0.5691-0.1507-0.3587 ( 4768 PWs) bands (ev): -9.1411 -9.1411 -8.6700 -8.6697 -7.2151 -7.2150 -5.4649 -5.4637 -1.1470 -1.1464 0.2650 0.2837 0.2932 0.3160 0.5016 0.5118 0.7238 0.7608 0.7662 0.7981 1.1551 1.1818 1.8486 1.8626 2.3716 2.3746 2.7388 2.7540 2.9291 2.9451 3.2010 3.2130 3.9170 3.9175 4.3311 4.3357 5.4331 5.4340 6.3553 6.3626 6.9029 6.9152 8.2692 8.2825 8.8391 8.8430 9.2411 9.2472 9.7070 9.7124 k = 0.5634-0.1319-0.3252 ( 4776 PWs) bands (ev): -9.1613 -9.1613 -8.6887 -8.6885 -7.2266 -7.2264 -5.4807 -5.4796 -1.1568 -1.1562 0.2669 0.2825 0.2916 0.3149 0.5019 0.5121 0.7296 0.7616 0.7684 0.7957 1.1488 1.1744 1.9430 1.9563 2.4051 2.4078 2.8200 2.8362 2.9765 2.9948 3.2221 3.2345 3.9695 3.9699 4.3482 4.3520 5.4177 5.4193 6.4553 6.4625 6.9385 6.9498 8.2007 8.2132 8.8060 8.8098 9.2713 9.2781 9.6450 9.6489 k = 0.5576-0.1131-0.2916 ( 4774 PWs) bands (ev): -9.1798 -9.1798 -8.7059 -8.7057 -7.2372 -7.2371 -5.4952 -5.4942 -1.1660 -1.1654 0.2687 0.2813 0.2901 0.3135 0.5020 0.5120 0.7351 0.7621 0.7708 0.7934 1.1419 1.1660 2.0346 2.0472 2.4353 2.4378 2.8993 2.9178 3.0135 3.0351 3.2474 3.2598 4.0228 4.0233 4.3631 4.3660 5.4006 5.4029 6.5527 6.5597 6.9710 6.9814 8.1322 8.1438 8.7628 8.7663 9.3020 9.3099 9.5895 9.5918 k = 0.5518-0.0943-0.2581 ( 4782 PWs) bands (ev): -9.1967 -9.1967 -8.7216 -8.7214 -7.2469 -7.2468 -5.5084 -5.5075 -1.1746 -1.1740 0.2704 0.2801 0.2888 0.3118 0.5020 0.5115 0.7402 0.7625 0.7731 0.7913 1.1347 1.1572 2.1223 2.1341 2.4624 2.4648 2.9729 2.9971 3.0413 3.0696 3.2760 3.2877 4.0765 4.0771 4.3757 4.3779 5.3822 5.3849 6.6462 6.6530 7.0006 7.0099 8.0648 8.0755 8.7136 8.7166 9.3222 9.3324 9.5470 9.5512 k = 0.5461-0.0755-0.2245 ( 4782 PWs) bands (ev): -9.2118 -9.2118 -8.7357 -8.7356 -7.2557 -7.2556 -5.5204 -5.5196 -1.1826 -1.1820 0.2719 0.2791 0.2878 0.3099 0.5020 0.5108 0.7450 0.7629 0.7752 0.7893 1.1276 1.1483 2.2050 2.2161 2.4866 2.4888 3.0308 3.0566 3.0779 3.1085 3.3060 3.3165 4.1298 4.1305 4.3862 4.3877 5.3630 5.3660 6.7347 6.7411 7.0271 7.0354 7.9996 8.0093 8.6618 8.6643 9.3183 9.3303 9.5320 9.5391 k = 0.5403-0.0567-0.1910 ( 4784 PWs) bands (ev): -9.2252 -9.2252 -8.7482 -8.7481 -7.2635 -7.2634 -5.5310 -5.5303 -1.1897 -1.1891 0.2731 0.2782 0.2870 0.3079 0.5020 0.5100 0.7494 0.7633 0.7770 0.7875 1.1209 1.1397 2.2816 2.2918 2.5080 2.5101 3.0630 3.0721 3.1482 3.1626 3.3354 3.3444 4.1817 4.1825 4.3946 4.3955 5.3435 5.3466 6.8169 6.8228 7.0507 7.0579 7.9380 7.9467 8.6101 8.6122 9.2891 9.3005 9.5476 9.5551 k = 0.5346-0.0379-0.1574 ( 4774 PWs) bands (ev): -9.2369 -9.2369 -8.7591 -8.7590 -7.2703 -7.2703 -5.5402 -5.5396 -1.1960 -1.1955 0.2742 0.2774 0.2866 0.3058 0.5021 0.5092 0.7533 0.7638 0.7786 0.7859 1.1149 1.1315 2.3506 2.3600 2.5269 2.5289 3.0790 3.0818 3.2143 3.2227 3.3626 3.3700 4.2307 4.2315 4.4013 4.4018 5.3240 5.3271 6.8915 6.8967 7.0716 7.0777 7.8812 7.8888 8.5608 8.5625 9.2480 9.2577 9.5790 9.5856 k = 0.5288-0.0191-0.1239 ( 4776 PWs) bands (ev): -9.2468 -9.2468 -8.7684 -8.7683 -7.2762 -7.2761 -5.5480 -5.5475 -1.2013 -1.2009 0.2749 0.2767 0.2868 0.3037 0.5023 0.5082 0.7568 0.7643 0.7799 0.7846 1.1098 1.1240 2.4108 2.4192 2.5437 2.5455 3.0881 3.0885 3.2732 3.2789 3.3870 3.3928 4.2751 4.2760 4.4068 4.4070 5.3054 5.3082 6.9570 6.9613 7.0899 7.0948 7.8305 7.8370 8.5159 8.5173 9.2054 9.2133 9.6143 9.6198 k = 0.5230-0.0003-0.0903 ( 4778 PWs) bands (ev): -9.2549 -9.2549 -8.7760 -8.7759 -7.2810 -7.2809 -5.5544 -5.5540 -1.2058 -1.2055 0.2752 0.2761 0.2873 0.3015 0.5025 0.5073 0.7597 0.7648 0.7809 0.7835 1.1057 1.1173 2.4606 2.4678 2.5590 2.5605 3.0931 3.0937 3.3228 3.3266 3.4088 3.4128 4.3130 4.3138 4.4119 4.4120 5.2883 5.2908 7.0118 7.0151 7.1061 7.1097 7.7872 7.7925 8.4770 8.4780 9.1666 9.1729 9.6479 9.6524 k = 0.5173 0.0185-0.0568 ( 4774 PWs) bands (ev): -9.2613 -9.2613 -8.7819 -8.7818 -7.2847 -7.2847 -5.5594 -5.5591 -1.2093 -1.2090 0.2754 0.2757 0.2884 0.2993 0.5028 0.5065 0.7620 0.7652 0.7815 0.7827 1.1028 1.1116 2.4985 2.5040 2.5734 2.5745 3.0963 3.0971 3.3610 3.3632 3.4283 3.4306 4.3420 4.3427 4.4178 4.4179 5.2737 5.2758 7.0540 7.0560 7.1210 7.1232 7.7524 7.7564 8.4454 8.4461 9.1344 9.1391 9.6765 9.6800 k = 0.5115 0.0373-0.0232 ( 4766 PWs) bands (ev): -9.2658 -9.2658 -8.7861 -8.7860 -7.2874 -7.2873 -5.5630 -5.5628 -1.2118 -1.2116 0.2754 0.2755 0.2898 0.2972 0.5032 0.5057 0.7637 0.7656 0.7819 0.7823 1.1010 1.1070 2.5236 2.5271 2.5869 2.5874 3.0984 3.0991 3.3867 3.3875 3.4452 3.4460 4.3607 4.3612 4.4250 4.4250 5.2625 5.2640 7.0821 7.0829 7.1349 7.1357 7.7270 7.7297 8.4221 8.4226 9.1106 9.1137 9.6976 9.7000 k = 0.5058 0.0561 0.0103 ( 4756 PWs) bands (ev): -9.2685 -9.2685 -8.7886 -8.7886 -7.2890 -7.2890 -5.5651 -5.5650 -1.2132 -1.2132 0.2753 0.2754 0.2914 0.2952 0.5037 0.5049 0.7649 0.7657 0.7821 0.7821 1.1006 1.1036 2.5373 2.5389 2.5971 2.5971 3.0997 3.1001 3.4005 3.4007 3.4571 3.4572 4.3702 4.3704 4.4315 4.4315 5.2555 5.2563 7.0967 7.0968 7.1457 7.1458 7.7117 7.7131 8.4079 8.4081 9.0962 9.0977 9.7084 9.7095 k = 0.5000 0.0749 0.0439 ( 4752 PWs) bands (ev): -9.2694 -9.2694 -8.7895 -8.7895 -7.2895 -7.2895 -5.5658 -5.5658 -1.2137 -1.2137 0.2753 0.2753 0.2933 0.2933 0.5043 0.5043 0.7655 0.7655 0.7821 0.7821 1.1014 1.1014 2.5419 2.5419 2.6008 2.6008 3.1003 3.1003 3.4048 3.4048 3.4614 3.4614 4.3730 4.3730 4.4342 4.4342 5.2534 5.2534 7.1010 7.1010 7.1498 7.1498 7.7071 7.7071 8.4032 8.4032 9.0918 9.0918 9.7106 9.7106 k = 0.5000 0.0749 0.0439 ( 4752 PWs) bands (ev): -9.2694 -9.2694 -8.7895 -8.7895 -7.2895 -7.2895 -5.5658 -5.5658 -1.2137 -1.2137 0.2753 0.2753 0.2933 0.2933 0.5043 0.5043 0.7655 0.7655 0.7821 0.7821 1.1014 1.1014 2.5419 2.5419 2.6008 2.6008 3.1003 3.1003 3.4048 3.4048 3.4614 3.4614 4.3730 4.3730 4.4342 4.4342 5.2534 5.2534 7.1010 7.1010 7.1498 7.1498 7.7071 7.7071 8.4032 8.4032 9.0918 9.0918 9.7106 9.7106 k = 0.4643 0.0695 0.0407 ( 4764 PWs) bands (ev): -9.2694 -9.2694 -8.7894 -8.7894 -7.2896 -7.2896 -5.5657 -5.5657 -1.2141 -1.2141 0.2753 0.2753 0.2916 0.2916 0.5032 0.5032 0.7654 0.7654 0.7821 0.7821 1.1077 1.1077 2.5419 2.5419 2.6008 2.6008 3.0936 3.0936 3.4048 3.4048 3.4614 3.4614 4.3730 4.3730 4.4342 4.4342 5.2595 5.2595 7.1010 7.1010 7.1498 7.1498 7.7047 7.7047 8.4014 8.4014 9.0920 9.0920 9.7105 9.7105 k = 0.4286 0.0642 0.0376 ( 4773 PWs) bands (ev): -9.2695 -9.2695 -8.7892 -8.7892 -7.2899 -7.2899 -5.5652 -5.5652 -1.2152 -1.2152 0.2753 0.2753 0.2869 0.2869 0.5003 0.5003 0.7651 0.7651 0.7821 0.7821 1.1259 1.1259 2.5419 2.5419 2.6008 2.6008 3.0738 3.0738 3.4047 3.4047 3.4614 3.4614 4.3729 4.3729 4.4342 4.4342 5.2773 5.2773 7.1010 7.1010 7.1498 7.1498 7.6975 7.6975 8.3961 8.3961 9.0925 9.0925 9.7104 9.7104 k = 0.3929 0.0588 0.0345 ( 4779 PWs) bands (ev): -9.2697 -9.2697 -8.7889 -8.7889 -7.2905 -7.2905 -5.5646 -5.5646 -1.2171 -1.2171 0.2753 0.2753 0.2794 0.2794 0.4961 0.4961 0.7647 0.7647 0.7821 0.7821 1.1550 1.1550 2.5419 2.5419 2.6008 2.6008 3.0420 3.0420 3.4046 3.4046 3.4614 3.4615 4.3729 4.3729 4.4341 4.4341 5.3058 5.3058 7.1010 7.1010 7.1499 7.1499 7.6856 7.6856 8.3879 8.3879 9.0932 9.0932 9.7101 9.7101 k = 0.3571 0.0535 0.0313 ( 4792 PWs) bands (ev): -9.2699 -9.2699 -8.7885 -8.7885 -7.2912 -7.2912 -5.5637 -5.5637 -1.2195 -1.2195 0.2696 0.2696 0.2753 0.2753 0.4914 0.4914 0.7643 0.7643 0.7820 0.7820 1.1934 1.1934 2.5418 2.5418 2.6008 2.6008 2.9996 2.9996 3.4044 3.4044 3.4615 3.4615 4.3728 4.3728 4.4341 4.4341 5.3434 5.3434 7.1011 7.1011 7.1499 7.1499 7.6692 7.6692 8.3774 8.3774 9.0942 9.0942 9.7097 9.7097 k = 0.3214 0.0481 0.0282 ( 4804 PWs) bands (ev): -9.2701 -9.2701 -8.7879 -8.7879 -7.2920 -7.2920 -5.5627 -5.5627 -1.2223 -1.2223 0.2583 0.2583 0.2753 0.2753 0.4867 0.4867 0.7640 0.7640 0.7820 0.7820 1.2393 1.2393 2.5417 2.5417 2.6008 2.6008 2.9483 2.9483 3.4043 3.4043 3.4616 3.4616 4.3727 4.3727 4.4340 4.4340 5.3880 5.3880 7.1012 7.1012 7.1499 7.1500 7.6487 7.6487 8.3653 8.3653 9.0954 9.0954 9.7093 9.7093 k = 0.2857 0.0428 0.0251 ( 4804 PWs) bands (ev): -9.2704 -9.2704 -8.7874 -8.7874 -7.2929 -7.2929 -5.5615 -5.5615 -1.2255 -1.2255 0.2460 0.2460 0.2753 0.2753 0.4825 0.4825 0.7636 0.7636 0.7820 0.7820 1.2910 1.2910 2.5416 2.5416 2.6008 2.6008 2.8903 2.8903 3.4042 3.4042 3.4616 3.4616 4.3726 4.3726 4.4339 4.4339 5.4375 5.4375 7.1012 7.1012 7.1500 7.1500 7.6245 7.6245 8.3526 8.3526 9.0966 9.0966 9.7089 9.7089 k = 0.2500 0.0374 0.0219 ( 4804 PWs) bands (ev): -9.2706 -9.2706 -8.7868 -8.7868 -7.2938 -7.2938 -5.5602 -5.5602 -1.2289 -1.2289 0.2336 0.2336 0.2753 0.2753 0.4788 0.4788 0.7634 0.7634 0.7820 0.7820 1.3466 1.3466 2.5414 2.5414 2.6007 2.6007 2.8277 2.8277 3.4042 3.4042 3.4617 3.4617 4.3725 4.3725 4.4338 4.4339 5.4894 5.4894 7.1013 7.1013 7.1501 7.1501 7.5975 7.5975 8.3400 8.3400 9.0979 9.0979 9.7084 9.7084 k = 0.2143 0.0321 0.0188 ( 4804 PWs) bands (ev): -9.2709 -9.2709 -8.7862 -8.7862 -7.2948 -7.2948 -5.5590 -5.5590 -1.2323 -1.2323 0.2217 0.2217 0.2753 0.2753 0.4758 0.4758 0.7632 0.7632 0.7820 0.7820 1.4045 1.4045 2.5410 2.5410 2.6007 2.6007 2.7629 2.7629 3.4042 3.4042 3.4618 3.4618 4.3725 4.3725 4.4338 4.4338 5.5414 5.5414 7.1014 7.1014 7.1501 7.1501 7.5689 7.5689 8.3281 8.3281 9.0991 9.0991 9.7079 9.7079 k = 0.1786 0.0267 0.0157 ( 4789 PWs) bands (ev): -9.2711 -9.2711 -8.7856 -8.7856 -7.2957 -7.2957 -5.5578 -5.5578 -1.2354 -1.2354 0.2109 0.2109 0.2753 0.2753 0.4734 0.4734 0.7630 0.7630 0.7820 0.7820 1.4624 1.4624 2.5405 2.5405 2.6007 2.6007 2.6986 2.6986 3.4042 3.4042 3.4618 3.4619 4.3724 4.3724 4.4337 4.4337 5.5911 5.5911 7.1015 7.1015 7.1502 7.1502 7.5401 7.5401 8.3175 8.3175 9.1002 9.1002 9.7074 9.7074 k = 0.1429 0.0214 0.0125 ( 4789 PWs) bands (ev): -9.2714 -9.2714 -8.7851 -8.7851 -7.2965 -7.2965 -5.5568 -5.5568 -1.2383 -1.2383 0.2015 0.2015 0.2753 0.2753 0.4715 0.4715 0.7629 0.7629 0.7820 0.7820 1.5179 1.5179 2.5393 2.5393 2.6007 2.6007 2.6380 2.6380 3.4042 3.4042 3.4619 3.4619 4.3723 4.3723 4.4336 4.4337 5.6361 5.6361 7.1016 7.1016 7.1502 7.1502 7.5129 7.5129 8.3086 8.3086 9.1011 9.1011 9.7070 9.7070 k = 0.1071 0.0160 0.0094 ( 4783 PWs) bands (ev): -9.2716 -9.2716 -8.7847 -8.7847 -7.2972 -7.2972 -5.5559 -5.5559 -1.2407 -1.2407 0.1939 0.1939 0.2753 0.2753 0.4701 0.4701 0.7629 0.7629 0.7821 0.7821 1.5678 1.5678 2.5356 2.5356 2.5865 2.5865 2.6007 2.6007 3.4042 3.4042 3.4620 3.4620 4.3723 4.3723 4.4336 4.4336 5.6740 5.6740 7.1017 7.1017 7.1503 7.1503 7.4890 7.4890 8.3015 8.3015 9.1019 9.1019 9.7066 9.7066 k = 0.0714 0.0107 0.0063 ( 4783 PWs) bands (ev): -9.2717 -9.2717 -8.7843 -8.7843 -7.2977 -7.2977 -5.5552 -5.5552 -1.2425 -1.2425 0.1883 0.1883 0.2753 0.2753 0.4691 0.4691 0.7628 0.7628 0.7821 0.7821 1.6083 1.6083 2.5211 2.5211 2.5566 2.5566 2.6006 2.6006 3.4042 3.4042 3.4620 3.4620 4.3722 4.3722 4.4335 4.4336 5.7029 5.7029 7.1017 7.1017 7.1503 7.1503 7.4703 7.4703 8.2964 8.2964 9.1025 9.1025 9.7064 9.7064 k = 0.0357 0.0053 0.0031 ( 4783 PWs) bands (ev): -9.2718 -9.2718 -8.7842 -8.7842 -7.2980 -7.2980 -5.5548 -5.5548 -1.2436 -1.2436 0.1849 0.1849 0.2753 0.2753 0.4686 0.4686 0.7628 0.7628 0.7820 0.7820 1.6351 1.6351 2.4990 2.4990 2.5494 2.5494 2.6006 2.6006 3.4042 3.4042 3.4620 3.4620 4.3722 4.3722 4.4335 4.4335 5.7209 5.7209 7.1018 7.1018 7.1503 7.1503 7.4584 7.4584 8.2933 8.2933 9.1029 9.1029 9.7062 9.7062 k = 0.0000 0.0000 0.0000 ( 4783 PWs) bands (ev): -9.2718 -9.2718 -8.7841 -8.7841 -7.2982 -7.2982 -5.5547 -5.5547 -1.2440 -1.2440 0.1838 0.1838 0.2753 0.2753 0.4684 0.4684 0.7628 0.7628 0.7821 0.7821 1.6446 1.6446 2.4899 2.4899 2.5482 2.5482 2.6006 2.6006 3.4042 3.4042 3.4620 3.4620 4.3722 4.3722 4.4335 4.4335 5.7271 5.7271 7.1018 7.1018 7.1503 7.1503 7.4543 7.4543 8.2923 8.2923 9.1030 9.1030 9.7061 9.7061 k = 0.0000 0.0000 0.0000 ( 4783 PWs) bands (ev): -9.2718 -9.2718 -8.7841 -8.7841 -7.2982 -7.2982 -5.5547 -5.5547 -1.2440 -1.2440 0.1838 0.1838 0.2753 0.2753 0.4684 0.4684 0.7628 0.7628 0.7821 0.7821 1.6446 1.6446 2.4899 2.4899 2.5482 2.5482 2.6006 2.6006 3.4042 3.4042 3.4620 3.4620 4.3722 4.3722 4.4335 4.4335 5.7271 5.7271 7.1018 7.1018 7.1503 7.1503 7.4543 7.4543 8.2923 8.2923 9.1030 9.1030 9.7061 9.7061 k = 0.0057-0.0186-0.0332 ( 4789 PWs) bands (ev): -9.2709 -9.2709 -8.7833 -8.7832 -7.2976 -7.2976 -5.5540 -5.5539 -1.2434 -1.2434 0.1834 0.1844 0.2753 0.2753 0.4674 0.4694 0.7620 0.7632 0.7820 0.7820 1.6439 1.6453 2.4798 2.4935 2.5401 2.5530 2.5984 2.5985 3.4000 3.4007 3.4581 3.4582 4.3697 4.3699 4.4312 4.4312 5.7268 5.7272 7.0965 7.0974 7.1457 7.1458 7.4610 7.4617 8.2978 8.2979 9.1076 9.1090 9.7037 9.7049 k = 0.0114-0.0372-0.0663 ( 4783 PWs) bands (ev): -9.2683 -9.2683 -8.7808 -8.7808 -7.2960 -7.2960 -5.5520 -5.5518 -1.2417 -1.2417 0.1833 0.1853 0.2756 0.2756 0.4665 0.4705 0.7612 0.7634 0.7819 0.7821 1.6431 1.6459 2.4627 2.4877 2.5310 2.5547 2.5922 2.5929 3.3875 3.3890 3.4471 3.4476 4.3616 4.3621 4.4252 4.4254 5.7263 5.7270 7.0796 7.0813 7.1343 7.1348 7.4810 7.4824 8.3143 8.3144 9.1225 9.1254 9.6921 9.6945 k = 0.0171-0.0557-0.0995 ( 4771 PWs) bands (ev): -9.2639 -9.2639 -8.7767 -8.7766 -7.2934 -7.2933 -5.5486 -5.5483 -1.2389 -1.2388 0.1834 0.1865 0.2760 0.2761 0.4656 0.4716 0.7602 0.7632 0.7816 0.7825 1.6423 1.6464 2.4372 2.4676 2.5248 2.5539 2.5831 2.5849 3.3650 3.3676 3.4310 3.4323 4.3453 4.3462 4.4181 4.4187 5.7256 5.7265 7.0480 7.0503 7.1209 7.1224 7.5127 7.5149 8.3412 8.3415 9.1473 9.1516 9.6695 9.6730 k = 0.0228-0.0743-0.1326 ( 4777 PWs) bands (ev): -9.2577 -9.2577 -8.7709 -8.7708 -7.2897 -7.2896 -5.5438 -5.5434 -1.2349 -1.2349 0.1837 0.1878 0.2765 0.2766 0.4648 0.4728 0.7590 0.7624 0.7810 0.7830 1.6412 1.6466 2.4021 2.4331 2.5211 2.5503 2.5732 2.5758 3.3316 3.3353 3.4117 3.4141 4.3196 4.3210 4.4120 4.4131 5.7244 5.7255 7.0023 7.0050 7.1069 7.1094 7.5545 7.5575 8.3776 8.3781 9.1808 9.1867 9.6389 9.6435 k = 0.0285-0.0929-0.1658 ( 4783 PWs) bands (ev): -9.2497 -9.2497 -8.7635 -8.7634 -7.2849 -7.2849 -5.5376 -5.5371 -1.2299 -1.2298 0.1843 0.1894 0.2772 0.2774 0.4640 0.4740 0.7577 0.7614 0.7802 0.7839 1.6397 1.6463 2.3571 2.3870 2.5167 2.5423 2.5647 2.5669 3.2881 3.2927 3.3895 3.3931 4.2853 4.2870 4.4066 4.4082 5.7229 5.7240 6.9447 6.9479 7.0915 7.0950 7.6050 7.6090 8.4223 8.4231 9.2215 9.2291 9.6029 9.6086 k = 0.0342-0.1115-0.1989 ( 4777 PWs) bands (ev): -9.2400 -9.2400 -8.7545 -8.7544 -7.2792 -7.2791 -5.5301 -5.5295 -1.2238 -1.2237 0.1851 0.1912 0.2780 0.2783 0.4632 0.4753 0.7559 0.7602 0.7791 0.7852 1.6375 1.6451 2.3027 2.3314 2.5093 2.5290 2.5570 2.5611 3.2361 3.2416 3.3640 3.3687 4.2441 4.2462 4.4011 4.4033 5.7207 5.7218 6.8772 6.8809 7.0738 7.0784 7.6630 7.6680 8.4740 8.4751 9.2665 9.2761 9.5645 9.5715 k = 0.0398-0.1300-0.2321 ( 4773 PWs) bands (ev): -9.2286 -9.2286 -8.7439 -8.7438 -7.2724 -7.2723 -5.5212 -5.5206 -1.2166 -1.2166 0.1860 0.1932 0.2789 0.2795 0.4625 0.4766 0.7536 0.7591 0.7778 0.7868 1.6342 1.6425 2.2399 2.2678 2.4973 2.5118 2.5504 2.5574 3.1776 3.1837 3.3345 3.3403 4.1979 4.2003 4.3945 4.3973 5.7177 5.7187 6.8015 6.8058 7.0535 7.0591 7.7274 7.7333 8.5309 8.5325 9.3099 9.3219 9.5298 9.5383 k = 0.0455-0.1486-0.2653 ( 4769 PWs) bands (ev): -9.2155 -9.2155 -8.7317 -8.7316 -7.2646 -7.2645 -5.5111 -5.5103 -1.2086 -1.2085 0.1871 0.1952 0.2800 0.2808 0.4617 0.4780 0.7506 0.7582 0.7762 0.7886 1.6291 1.6381 2.1700 2.1976 2.4806 2.4916 2.5450 2.5538 3.1142 3.1209 3.3005 3.3075 4.1483 4.1509 4.3864 4.3898 5.7139 5.7145 6.7190 6.7238 7.0304 7.0370 7.7968 7.8036 8.5911 8.5933 9.3381 9.3512 9.5143 9.5227 k = 0.0512-0.1672-0.2984 ( 4765 PWs) bands (ev): -9.2007 -9.2007 -8.7180 -8.7178 -7.2559 -7.2558 -5.4996 -5.4987 -1.1996 -1.1996 0.1882 0.1974 0.2811 0.2823 0.4610 0.4794 0.7471 0.7575 0.7744 0.7907 1.6216 1.6309 2.0947 2.1224 2.4598 2.4686 2.5398 2.5492 3.0477 3.0549 3.2619 3.2702 4.0968 4.0996 4.3763 4.3804 5.7088 5.7091 6.6310 6.6362 7.0045 7.0121 7.8702 7.8778 8.6525 8.6554 9.3336 9.3439 9.5381 9.5425 k = 0.0569-0.1858-0.3316 ( 4757 PWs) bands (ev): -9.1842 -9.1842 -8.7027 -8.7025 -7.2463 -7.2462 -5.4869 -5.4859 -1.1898 -1.1898 0.1895 0.1995 0.2824 0.2840 0.4603 0.4808 0.7431 0.7570 0.7723 0.7929 1.6106 1.6199 2.0154 2.0438 2.4353 2.4430 2.5336 2.5429 2.9797 2.9874 3.2189 3.2285 4.0444 4.0475 4.3639 4.3687 5.7019 5.7028 6.5386 6.5443 6.9756 6.9841 7.9462 7.9547 8.7124 8.7161 9.3032 9.3112 9.5897 9.5919 k = 0.0626-0.2044-0.3647 ( 4757 PWs) bands (ev): -9.1661 -9.1660 -8.6859 -8.6857 -7.2358 -7.2356 -5.4729 -5.4719 -1.1793 -1.1792 0.1907 0.2016 0.2839 0.2859 0.4594 0.4823 0.7385 0.7566 0.7698 0.7953 1.5945 1.6034 1.9343 1.9638 2.4076 2.4146 2.5253 2.5339 2.9120 2.9201 3.1721 3.1832 3.9922 3.9955 4.3492 4.3548 5.6928 5.6949 6.4432 6.4495 6.9437 6.9533 8.0239 8.0332 8.7675 8.7720 9.2646 9.2719 9.6508 9.6549 k = 0.0683-0.2229-0.3979 ( 4755 PWs) bands (ev): -9.1463 -9.1463 -8.6676 -8.6674 -7.2244 -7.2242 -5.4578 -5.4566 -1.1682 -1.1679 0.1919 0.2036 0.2854 0.2880 0.4585 0.4838 0.7335 0.7564 0.7672 0.7979 1.5709 1.5791 1.8539 1.8849 2.3769 2.3837 2.5135 2.5211 2.8460 2.8547 3.1225 3.1351 3.9407 3.9443 4.3321 4.3384 5.6813 5.6849 6.3460 6.3531 6.9089 6.9194 8.1022 8.1122 8.8133 8.8185 9.2282 9.2354 9.7158 9.7216 k = 0.0740-0.2415-0.4311 ( 4767 PWs) bands (ev): -9.1250 -9.1249 -8.6479 -8.6477 -7.2122 -7.2121 -5.4415 -5.4403 -1.1565 -1.1562 0.1929 0.2052 0.2870 0.2903 0.4573 0.4853 0.7281 0.7564 0.7642 0.8006 1.5366 1.5443 1.7776 1.8100 2.3434 2.3502 2.4969 2.5032 2.7830 2.7927 3.0717 3.0858 3.8904 3.8943 4.3125 4.3196 5.6664 5.6720 6.2486 6.2570 6.8712 6.8825 8.1801 8.1910 8.8445 8.8498 9.2014 9.2082 9.7815 9.7888 k = 0.0797-0.2601-0.4642 ( 4765 PWs) bands (ev): -9.1021 -9.1020 -8.6268 -8.6265 -7.1993 -7.1991 -5.4240 -5.4227 -1.1444 -1.1439 0.1937 0.2064 0.2887 0.2928 0.4558 0.4868 0.7222 0.7565 0.7611 0.8035 1.4882 1.4962 1.7089 1.7419 2.3074 2.3142 2.4743 2.4793 2.7242 2.7348 3.0218 3.0374 3.8413 3.8455 4.2905 4.2985 5.6467 5.6552 6.1528 6.1630 6.8305 6.8428 8.2569 8.2686 8.8558 8.8605 9.1897 9.1952 9.8464 9.8548 k = 0.0854-0.2787-0.4974 ( 4761 PWs) bands (ev): -9.0777 -9.0776 -8.6044 -8.6040 -7.1856 -7.1854 -5.4055 -5.4042 -1.1320 -1.1314 0.1941 0.2071 0.2906 0.2954 0.4540 0.4882 0.7158 0.7568 0.7576 0.8065 1.4247 1.4346 1.6487 1.6810 2.2692 2.2761 2.4447 2.4488 2.6695 2.6813 2.9752 2.9920 3.7934 3.7980 4.2662 4.2750 5.6203 5.6324 6.0612 6.0742 6.7870 6.8001 8.3319 8.3444 8.8467 8.8500 9.1931 9.1969 9.9096 9.9191 k = 0.0911-0.2972-0.5305 ( 4761 PWs) bands (ev): -9.0518 -9.0517 -8.5806 -8.5802 -7.1713 -7.1711 -5.3860 -5.3846 -1.1195 -1.1187 0.1941 0.2068 0.2926 0.2982 0.4515 0.4893 0.7090 0.7539 0.7572 0.8096 1.3494 1.3623 1.5941 1.6248 2.2289 2.2360 2.4080 2.4123 2.6184 2.6312 2.9343 2.9519 3.7465 3.7516 4.2395 4.2492 5.5843 5.6006 5.9774 5.9937 6.7406 6.7546 8.4044 8.4178 8.8218 8.8241 9.2061 9.2081 9.9709 9.9813 k = 0.0968-0.3158-0.5637 ( 4765 PWs) bands (ev): -9.0245 -9.0244 -8.5556 -8.5552 -7.1563 -7.1561 -5.3655 -5.3640 -1.1070 -1.1060 0.1932 0.2054 0.2947 0.3012 0.4482 0.4902 0.7015 0.7499 0.7577 0.8128 1.2674 1.2836 1.5405 1.5696 2.1868 2.1937 2.3647 2.3703 2.5701 2.5841 2.9006 2.9185 3.7003 3.7060 4.2107 4.2212 5.5358 5.5562 5.9055 5.9252 6.6916 6.7064 8.4736 8.4879 8.7878 8.7901 9.2214 9.2228 10.0301 10.0416 k = 0.1025-0.3344-0.5968 ( 4759 PWs) bands (ev): -8.9957 -8.9957 -8.5293 -8.5289 -7.1408 -7.1406 -5.3440 -5.3425 -1.0948 -1.0935 0.1914 0.2025 0.2969 0.3044 0.4440 0.4907 0.6936 0.7456 0.7584 0.8160 1.1829 1.2025 1.4850 1.5127 2.1426 2.1493 2.3156 2.3233 2.5244 2.5407 2.8743 2.8920 3.6547 3.6609 4.1798 4.1912 5.4736 5.4966 5.8486 5.8704 6.6401 6.6555 8.5379 8.5536 8.7503 8.7542 9.2345 9.2364 10.0857 10.0983 k = 0.1082-0.3530-0.6300 ( 4755 PWs) bands (ev): -8.9657 -8.9656 -8.5019 -8.5015 -7.1248 -7.1246 -5.3218 -5.3201 -1.0831 -1.0815 0.1880 0.1975 0.2991 0.3076 0.4384 0.4906 0.6850 0.7410 0.7590 0.8192 1.0991 1.1223 1.4260 1.4527 2.0961 2.1021 2.2614 2.2712 2.4828 2.5022 2.8547 2.8720 3.6093 3.6161 4.1470 4.1594 5.3988 5.4229 5.8062 5.8285 6.5861 6.6022 8.5926 8.6102 8.7166 8.7240 9.2435 9.2461 10.1219 10.1249 k = 0.1138-0.3715-0.6632 ( 4751 PWs) bands (ev): -8.9344 -8.9343 -8.4734 -8.4730 -7.1084 -7.1081 -5.2987 -5.2970 -1.0720 -1.0700 0.1824 0.1898 0.3014 0.3109 0.4313 0.4895 0.6759 0.7360 0.7595 0.8221 1.0186 1.0456 1.3634 1.3893 2.0466 2.0516 2.2029 2.2142 2.4471 2.4697 2.8404 2.8571 3.5639 3.5714 4.1125 4.1258 5.3150 5.3388 5.7750 5.7966 6.5299 6.5465 8.6177 8.6329 8.7110 8.7223 9.2479 9.2509 10.1195 10.1243 k = 0.1195-0.3901-0.6963 ( 4747 PWs) bands (ev): -8.9019 -8.9018 -8.4439 -8.4435 -7.0916 -7.0913 -5.2748 -5.2731 -1.0618 -1.0594 0.1737 0.1787 0.3037 0.3141 0.4225 0.4872 0.6661 0.7305 0.7595 0.8240 0.9441 0.9749 1.2977 1.3232 1.9938 1.9976 2.1416 2.1530 2.4182 2.4434 2.8298 2.8459 3.5183 3.5265 4.0764 4.0907 5.2255 5.2485 5.7510 5.7713 6.4716 6.4888 8.6001 8.6089 8.7488 8.7617 9.2475 9.2507 10.1122 10.1189 k = 0.1252-0.4087-0.7295 ( 4747 PWs) bands (ev): -8.8682 -8.8681 -8.4135 -8.4130 -7.0745 -7.0742 -5.2503 -5.2486 -1.0529 -1.0500 0.1603 0.1634 0.3060 0.3171 0.4123 0.4832 0.6560 0.7241 0.7581 0.8223 0.8798 0.9134 1.2300 1.2551 1.9372 1.9396 2.0788 2.0893 2.3959 2.4228 2.8216 2.8372 3.4724 3.4815 4.0391 4.0543 5.1333 5.1553 5.7315 5.7504 6.4116 6.4291 8.5685 8.5747 8.7965 8.8108 9.2427 9.2460 10.1056 10.1132 k = 0.1309-0.4273-0.7626 ( 4747 PWs) bands (ev): -8.8334 -8.8333 -8.3822 -8.3817 -7.0571 -7.0569 -5.2253 -5.2234 -1.0455 -1.0421 0.1401 0.1436 0.3081 0.3197 0.4014 0.4772 0.6456 0.7162 0.7529 0.8041 0.8360 0.8696 1.1615 1.1860 1.8766 1.8780 2.0160 2.0248 2.3791 2.4071 2.8149 2.8299 3.4262 3.4360 4.0008 4.0168 5.0402 5.0612 5.7146 5.7319 6.3500 6.3678 8.5351 8.5402 8.8431 8.8584 9.2340 9.2373 10.1008 10.1091 k = 0.1366-0.4459-0.7958 ( 4749 PWs) bands (ev): -8.7976 -8.7975 -8.3501 -8.3496 -7.0397 -7.0394 -5.1997 -5.1978 -1.0399 -1.0360 0.1123 0.1176 0.3101 0.3216 0.3913 0.4689 0.6351 0.7045 0.7393 0.7709 0.8078 0.8554 1.0937 1.1171 1.8119 1.8138 1.9541 1.9608 2.3667 2.3952 2.8086 2.8232 3.3795 3.3903 3.9616 3.9785 4.9477 4.9677 5.6990 5.7148 6.2874 6.3053 8.5028 8.5073 8.8860 8.9020 9.2223 9.2253 10.0992 10.1080 k = 0.1423-0.4644-0.8289 ( 4753 PWs) bands (ev): -8.7609 -8.7607 -8.3173 -8.3168 -7.0221 -7.0219 -5.1736 -5.1717 -1.0365 -1.0319 0.0774 0.0838 0.3117 0.3223 0.3834 0.4586 0.6247 0.6853 0.7219 0.7404 0.7919 0.8544 1.0283 1.0496 1.7446 1.7471 1.8937 1.8982 2.3573 2.3859 2.8020 2.8161 3.3326 3.3442 3.9219 3.9397 4.8568 4.8759 5.6840 5.6981 6.2241 6.2419 8.4723 8.4765 8.9237 8.9401 9.2085 9.2109 10.1019 10.1110 k = 0.1480-0.4830-0.8621 ( 4749 PWs) bands (ev): -8.7233 -8.7232 -8.2840 -8.2834 -7.0045 -7.0043 -5.1472 -5.1453 -1.0355 -1.0304 0.0359 0.0424 0.3129 0.3220 0.3788 0.4468 0.6144 0.6622 0.7030 0.7179 0.7846 0.8552 0.9681 0.9851 1.6758 1.6786 1.8347 1.8376 2.3501 2.3784 2.7944 2.8081 3.2854 3.2979 3.8820 3.9005 4.7683 4.7865 5.6687 5.6810 6.1607 6.1782 8.4440 8.4480 8.9549 8.9710 9.1942 9.1961 10.1098 10.1192 k = 0.1537-0.5016-0.8953 ( 4751 PWs) bands (ev): -8.6850 -8.6848 -8.2501 -8.2495 -6.9870 -6.9868 -5.1206 -5.1186 -1.0374 -1.0316 -0.0113 -0.0053 0.3132 0.3211 0.3772 0.4345 0.6038 0.6392 0.6796 0.7067 0.7771 0.8530 0.9147 0.9294 1.6066 1.6092 1.7766 1.7799 2.3442 2.3720 2.7851 2.7985 3.2381 3.2516 3.8421 3.8613 4.6829 4.7001 5.6525 5.6628 6.0980 6.1149 8.4180 8.4219 8.9773 8.9923 9.1813 9.1840 10.1238 10.1335 k = 0.1594-0.5202-0.9284 ( 4745 PWs) bands (ev): -8.6460 -8.6458 -8.2158 -8.2152 -6.9696 -6.9694 -5.0937 -5.0917 -1.0423 -1.0359 -0.0626 -0.0573 0.3121 0.3203 0.3776 0.4226 0.5925 0.6156 0.6600 0.6977 0.7632 0.8391 0.8653 0.9007 1.5373 1.5396 1.7197 1.7254 2.3389 2.3660 2.7735 2.7867 3.1909 3.2053 3.8025 3.8222 4.6009 4.6173 5.6344 5.6425 6.0368 6.0529 8.3943 8.3982 8.9878 9.0005 9.1732 9.1789 10.1443 10.1542 k = 0.1651-0.5387-0.9616 ( 4743 PWs) bands (ev): -8.6064 -8.6062 -8.1812 -8.1806 -6.9525 -6.9523 -5.0667 -5.0647 -1.0506 -1.0436 -0.1164 -0.1118 0.3092 0.3197 0.3787 0.4116 0.5779 0.5920 0.6437 0.6881 0.7413 0.8005 0.8418 0.8955 1.4682 1.4704 1.6649 1.6741 2.3338 2.3600 2.7591 2.7720 3.1441 3.1594 3.7635 3.7836 4.5231 4.5385 5.6131 5.6193 5.9785 5.9934 8.3728 8.3767 8.9841 8.9941 9.1735 9.1828 10.1714 10.1814 k = 0.1708-0.5573-0.9947 ( 4749 PWs) bands (ev): -8.5664 -8.5662 -8.1465 -8.1458 -6.9356 -6.9354 -5.0398 -5.0377 -1.0622 -1.0547 -0.1712 -0.1672 0.3045 0.3189 0.3792 0.4021 0.5532 0.5746 0.6280 0.6761 0.7178 0.7582 0.8361 0.8985 1.3995 1.4019 1.6127 1.6262 2.3285 2.3537 2.7412 2.7539 3.0979 3.1140 3.7252 3.7457 4.4496 4.4642 5.5865 5.5927 5.9243 5.9381 8.3535 8.3574 8.9673 8.9751 9.1820 9.1942 10.2047 10.2148 k = 0.1765-0.5759-1.0279 ( 4745 PWs) bands (ev): -8.5261 -8.5258 -8.1116 -8.1110 -6.9191 -6.9189 -5.0129 -5.0108 -1.0774 -1.0694 -0.2259 -0.2223 0.2977 0.3173 0.3778 0.3945 0.5221 0.5599 0.6128 0.6570 0.6989 0.7290 0.8360 0.9045 1.3310 1.3340 1.5638 1.5823 2.3227 2.3469 2.7194 2.7317 3.0526 3.0694 3.6879 3.7085 4.3810 4.3947 5.5526 5.5617 5.8757 5.8888 8.3361 8.3401 8.9412 8.9475 9.1960 9.2100 10.2437 10.2538 k = 0.1822-0.5945-1.0610 ( 4745 PWs) bands (ev): -8.4855 -8.4852 -8.0769 -8.0762 -6.9029 -6.9027 -4.9862 -4.9841 -1.0958 -1.0875 -0.2797 -0.2762 0.2883 0.3139 0.3738 0.3885 0.4892 0.5451 0.6000 0.6267 0.6890 0.7137 0.8384 0.9119 1.2630 1.2664 1.5184 1.5427 2.3164 2.3395 2.6934 2.7053 3.0083 3.0257 3.6515 3.6722 4.3175 4.3303 5.5111 5.5243 5.8336 5.8471 8.3206 8.3247 8.9095 8.9147 9.2128 9.2279 10.2876 10.2977 k = 0.1878-0.6131-1.0942 ( 4751 PWs) bands (ev): -8.4448 -8.4444 -8.0423 -8.0416 -6.8873 -6.8871 -4.9598 -4.9577 -1.1173 -1.1088 -0.3323 -0.3286 0.2762 0.3078 0.3686 0.3817 0.4578 0.5311 0.5846 0.5989 0.6858 0.7053 0.8421 0.9201 1.1956 1.1990 1.4770 1.5077 2.3096 2.3316 2.6629 2.6743 2.9652 2.9830 3.6162 3.6369 4.2594 4.2714 5.4625 5.4798 5.7987 5.8132 8.3067 8.3110 8.8748 8.8790 9.2306 9.2463 10.3352 10.3453 k = 0.1935-0.6316-1.1274 ( 4739 PWs) bands (ev): -8.4041 -8.4037 -8.0081 -8.0074 -6.8721 -6.8719 -4.9337 -4.9316 -1.1415 -1.1328 -0.3832 -0.3791 0.2616 0.2985 0.3633 0.3711 0.4320 0.5151 0.5596 0.5897 0.6858 0.7002 0.8465 0.9286 1.1292 1.1318 1.4398 1.4770 2.3025 2.3234 2.6282 2.6389 2.9229 2.9411 3.5819 3.6024 4.2068 4.2181 5.4079 5.4285 5.7707 5.7864 8.2944 8.2988 8.8387 8.8420 9.2486 9.2646 10.3853 10.3954 k = 0.1992-0.6502-1.1605 ( 4743 PWs) bands (ev): -8.3636 -8.3632 -7.9743 -7.9736 -6.8576 -6.8574 -4.9081 -4.9059 -1.1678 -1.1590 -0.4323 -0.4277 0.2448 0.2860 0.3512 0.3611 0.4141 0.4915 0.5453 0.5858 0.6870 0.6970 0.8510 0.9363 1.0641 1.0659 1.4066 1.4503 2.2952 2.3152 2.5894 2.5995 2.8814 2.8998 3.5485 3.5687 4.1599 4.1705 5.3486 5.3717 5.7487 5.7652 8.2833 8.2880 8.8024 8.8049 9.2661 9.2821 10.4361 10.4461 k = 0.2049-0.6688-1.1937 ( 4743 PWs) bands (ev): -8.3233 -8.3229 -7.9411 -7.9404 -6.8436 -6.8434 -4.8830 -4.8808 -1.1956 -1.1867 -0.4796 -0.4745 0.2262 0.2716 0.3298 0.3555 0.4013 0.4656 0.5412 0.5841 0.6875 0.6966 0.8548 0.9382 0.9985 1.0094 1.3772 1.4273 2.2881 2.3073 2.5473 2.5568 2.8401 2.8587 3.5157 3.5357 4.1187 4.1286 5.2863 5.3111 5.7313 5.7482 8.2735 8.2785 8.7668 8.7685 9.2826 9.2986 10.4853 10.4951 k = 0.2106-0.6874-1.2268 ( 4745 PWs) bands (ev): -8.2835 -8.2831 -7.9087 -7.9079 -6.8303 -6.8301 -4.8586 -4.8564 -1.2243 -1.2154 -0.5250 -0.5194 0.2059 0.2566 0.3080 0.3452 0.3900 0.4464 0.5411 0.5840 0.6856 0.6993 0.8547 0.9136 0.9357 0.9839 1.3513 1.4071 2.2816 2.3002 2.5023 2.5115 2.7989 2.8177 3.4833 3.5030 4.0830 4.0923 5.2221 5.2479 5.7174 5.7344 8.2646 8.2701 8.7326 8.7335 9.2977 9.3135 10.5301 10.5396 k = 0.2163-0.7059-1.2600 ( 4743 PWs) bands (ev): -8.2443 -8.2438 -7.8771 -7.8763 -6.8176 -6.8174 -4.8348 -4.8326 -1.2533 -1.2443 -0.5684 -0.5625 0.1841 0.2422 0.2884 0.3243 0.3826 0.4363 0.5423 0.5848 0.6813 0.7028 0.8364 0.8619 0.8958 0.9873 1.3282 1.3893 2.2760 2.2941 2.4551 2.4643 2.7576 2.7765 3.4512 3.4705 4.0526 4.0613 5.1569 5.1835 5.7062 5.7229 8.2567 8.2626 8.7001 8.7009 9.3108 9.3264 10.5679 10.5769 k = 0.2220-0.7245-1.2932 ( 4745 PWs) bands (ev): -8.2059 -8.2053 -7.8465 -7.8457 -6.8056 -6.8054 -4.8119 -4.8097 -1.2818 -1.2727 -0.6099 -0.6037 0.1609 0.2289 0.2713 0.2954 0.3800 0.4318 0.5431 0.5860 0.6724 0.7038 0.7974 0.8031 0.8903 0.9976 1.3075 1.3730 2.2716 2.2894 2.4066 2.4160 2.7162 2.7351 3.4190 3.4380 4.0271 4.0354 5.0915 5.1185 5.6968 5.7132 8.2496 8.2560 8.6697 8.6713 9.3215 9.3368 10.5979 10.6065 k = 0.2277-0.7431-1.3263 ( 4743 PWs) bands (ev): -8.1683 -8.1677 -7.8170 -7.8162 -6.7944 -6.7941 -4.7899 -4.7876 -1.3093 -1.3000 -0.6492 -0.6429 0.1364 0.2169 0.2528 0.2675 0.3798 0.4297 0.5417 0.5866 0.6501 0.6972 0.7487 0.7724 0.8940 1.0098 1.2886 1.3577 2.2686 2.2861 2.3577 2.3676 2.6749 2.6936 3.3865 3.4051 4.0062 4.0141 5.0266 5.0537 5.6890 5.7048 8.2433 8.2502 8.6422 8.6447 9.3292 9.3442 10.6219 10.6301 k = 0.2334-0.7617-1.3595 ( 4745 PWs) bands (ev): -8.1318 -8.1311 -7.7888 -7.7880 -6.7838 -6.7835 -4.7688 -4.7665 -1.3353 -1.3258 -0.6864 -0.6800 0.1111 0.2036 0.2257 0.2529 0.3801 0.4283 0.5349 0.5855 0.6091 0.6797 0.7129 0.7693 0.9000 1.0231 1.2709 1.3429 2.2660 2.2815 2.3116 2.3206 2.6340 2.6524 3.3536 3.3719 3.9894 3.9969 4.9625 4.9896 5.6822 5.6974 8.2377 8.2451 8.6179 8.6214 9.3334 9.3481 10.6424 10.6505 k = 0.2391-0.7803-1.3926 ( 4755 PWs) bands (ev): -8.0965 -8.0958 -7.7619 -7.7611 -6.7739 -6.7735 -4.7487 -4.7464 -1.3593 -1.3495 -0.7213 -0.7149 0.0851 0.1781 0.2086 0.2443 0.3795 0.4263 0.5168 0.5570 0.5856 0.6545 0.7013 0.7774 0.9070 1.0371 1.2540 1.3281 2.2515 2.2544 2.2849 2.2931 2.5943 2.6121 3.3201 3.3380 3.9761 3.9833 4.8996 4.9266 5.6763 5.6908 8.2328 8.2407 8.5972 8.6017 9.3337 9.3481 10.6619 10.6700 k = 0.2448-0.7988-1.4258 ( 4751 PWs) bands (ev): -8.0625 -8.0618 -7.7365 -7.7358 -6.7646 -6.7643 -4.7297 -4.7274 -1.3810 -1.3707 -0.7536 -0.7473 0.0586 0.1435 0.2014 0.2383 0.3750 0.4209 0.4876 0.5082 0.5852 0.6391 0.6974 0.7897 0.9145 1.0513 1.2376 1.3132 2.2045 2.2155 2.2789 2.2938 2.5566 2.5734 3.2861 3.3036 3.9658 3.9727 4.8383 4.8650 5.6710 5.6848 8.2287 8.2371 8.5802 8.5857 9.3298 9.3438 10.6818 10.6901 k = 0.2505-0.8174-1.4589 ( 4747 PWs) bands (ev): -8.0301 -8.0293 -7.7127 -7.7120 -6.7560 -6.7557 -4.7118 -4.7095 -1.3999 -1.3892 -0.7834 -0.7772 0.0317 0.1072 0.1970 0.2338 0.3601 0.4042 0.4606 0.4711 0.5870 0.6319 0.6956 0.8038 0.9226 1.0657 1.2215 1.2979 2.1571 2.1707 2.2810 2.2968 2.5223 2.5376 3.2514 3.2685 3.9580 3.9647 4.7787 4.8051 5.6663 5.6793 8.2255 8.2343 8.5671 8.5735 9.3214 9.3350 10.7032 10.7116 k = 0.2562-0.8360-1.4921 ( 4741 PWs) bands (ev): -7.9993 -7.9984 -7.6905 -7.6898 -6.7481 -6.7477 -4.6952 -4.6928 -1.4160 -1.4048 -0.8103 -0.8043 0.0043 0.0702 0.1933 0.2302 0.3294 0.3694 0.4479 0.4549 0.5900 0.6284 0.6947 0.8183 0.9310 1.0797 1.2058 1.2825 2.1109 2.1265 2.2834 2.2993 2.4933 2.5065 3.2161 3.2329 3.9523 3.9588 4.7212 4.7472 5.6619 5.6741 8.2234 8.2325 8.5579 8.5652 9.3086 9.3219 10.7268 10.7353 k = 0.2618-0.8546-1.5253 ( 4739 PWs) bands (ev): -7.9704 -7.9694 -7.6701 -7.6694 -6.7408 -6.7404 -4.6797 -4.6773 -1.4291 -1.4173 -0.8344 -0.8286 -0.0238 0.0325 0.1886 0.2272 0.2885 0.3290 0.4461 0.4514 0.5935 0.6262 0.6943 0.8325 0.9398 1.0928 1.1907 1.2670 2.0666 2.0840 2.2831 2.2986 2.4724 2.4829 3.1802 3.1966 3.9483 3.9547 4.6659 4.6913 5.6578 5.6692 8.2223 8.2317 8.5525 8.5605 9.2915 9.3045 10.7528 10.7615 k = 0.2675-0.8731-1.5584 ( 4737 PWs) bands (ev): -7.9433 -7.9423 -7.6514 -7.6507 -6.7341 -6.7336 -4.6655 -4.6630 -1.4390 -1.4265 -0.8556 -0.8499 -0.0528 -0.0058 0.1793 0.2242 0.2453 0.2942 0.4482 0.4543 0.5970 0.6245 0.6944 0.8459 0.9489 1.1040 1.1769 1.2517 2.0245 2.0437 2.2772 2.2922 2.4616 2.4702 3.1439 3.1598 3.9457 3.9519 4.6130 4.6377 5.6538 5.6644 8.2226 8.2321 8.5507 8.5594 9.2706 9.2832 10.7816 10.7904 k = 0.2732-0.8917-1.5916 ( 4745 PWs) bands (ev): -7.9184 -7.9172 -7.6345 -7.6339 -6.7279 -6.7275 -4.6525 -4.6500 -1.4459 -1.4327 -0.8738 -0.8683 -0.0829 -0.0446 0.1613 0.2024 0.2233 0.2707 0.4506 0.4622 0.5997 0.6233 0.6946 0.8580 0.9579 1.1112 1.1658 1.2372 1.9851 2.0060 2.2649 2.2792 2.4616 2.4700 3.1073 3.1227 3.9441 3.9504 4.5627 4.5866 5.6501 5.6598 8.2242 8.2337 8.5525 8.5617 9.2462 9.2586 10.8134 10.8224 k = 0.2789-0.9103-1.6247 ( 4741 PWs) bands (ev): -7.8955 -7.8944 -7.6194 -7.6188 -6.7224 -6.7219 -4.6408 -4.6383 -1.4497 -1.4358 -0.8892 -0.8838 -0.1142 -0.0838 0.1351 0.1636 0.2226 0.2587 0.4539 0.4729 0.6008 0.6230 0.6951 0.8687 0.9667 1.1118 1.1593 1.2242 1.9486 1.9711 2.2481 2.2613 2.4709 2.4804 3.0704 3.0854 3.9435 3.9498 4.5150 4.5381 5.6464 5.6552 8.2273 8.2367 8.5574 8.5672 9.2190 9.2313 10.8482 10.8574 k = 0.2846-0.9289-1.6579 ( 4735 PWs) bands (ev): -7.8750 -7.8737 -7.6061 -7.6055 -6.7173 -6.7168 -4.6304 -4.6279 -1.4507 -1.4360 -0.9017 -0.8964 -0.1463 -0.1229 0.1059 0.1279 0.2230 0.2536 0.4581 0.4854 0.5997 0.6241 0.6957 0.8780 0.9751 1.1058 1.1563 1.2141 1.9152 1.9391 2.2296 2.2414 2.4874 2.4979 3.0334 3.0480 3.9436 3.9501 4.4701 4.4922 5.6428 5.6506 8.2318 8.2411 8.5653 8.5755 9.1898 9.2020 10.8860 10.8954 k = 0.2903-0.9474-1.6910 ( 4739 PWs) bands (ev): -7.8567 -7.8554 -7.5945 -7.5939 -6.7128 -6.7123 -4.6213 -4.6188 -1.4492 -1.4337 -0.9115 -0.9063 -0.1788 -0.1612 0.0779 0.0955 0.2237 0.2519 0.4635 0.4988 0.5964 0.6262 0.6964 0.8859 0.9829 1.0963 1.1521 1.2083 1.8850 1.9101 2.2118 2.2222 2.5089 2.5201 2.9966 3.0106 3.9446 3.9513 4.4281 4.4492 5.6392 5.6462 8.2377 8.2469 8.5758 8.5862 9.1593 9.1714 10.9267 10.9363 k = 0.2960-0.9660-1.7242 ( 4733 PWs) bands (ev): -7.8408 -7.8395 -7.5847 -7.5841 -6.7089 -6.7083 -4.6135 -4.6109 -1.4456 -1.4291 -0.9189 -0.9137 -0.2108 -0.1979 0.0526 0.0667 0.2243 0.2517 0.4698 0.5128 0.5914 0.6286 0.6971 0.8927 0.9901 1.0861 1.1441 1.2068 1.8579 1.8840 2.1962 2.2053 2.5339 2.5455 2.9601 2.9736 3.9463 3.9533 4.3891 4.4091 5.6357 5.6417 8.2448 8.2537 8.5885 8.5991 9.1284 9.1405 10.9702 10.9801 k = 0.3017-0.9846-1.7574 ( 4739 PWs) bands (ev): -7.8273 -7.8259 -7.5765 -7.5759 -6.7055 -6.7049 -4.6068 -4.6042 -1.4403 -1.4229 -0.9242 -0.9190 -0.2413 -0.2318 0.0307 0.0414 0.2247 0.2523 0.4771 0.5266 0.5852 0.6308 0.6979 0.8984 0.9970 1.0766 1.1328 1.2076 1.8338 1.8607 2.1837 2.1920 2.5612 2.5732 2.9240 2.9370 3.9487 3.9560 4.3535 4.3723 5.6322 5.6373 8.2528 8.2615 8.6028 8.6136 9.0981 9.1102 11.0163 11.0266 k = 0.3074-1.0032-1.7905 ( 4737 PWs) bands (ev): -7.8163 -7.8148 -7.5698 -7.5693 -6.7026 -6.7020 -4.6014 -4.5988 -1.4338 -1.4156 -0.9277 -0.9223 -0.2694 -0.2619 0.0123 0.0195 0.2247 0.2531 0.4850 0.5397 0.5782 0.6324 0.6988 0.9031 1.0040 1.0684 1.1196 1.2089 1.8126 1.8400 2.1749 2.1831 2.5902 2.6024 2.8886 2.9010 3.9517 3.9594 4.3214 4.3390 5.6288 5.6330 8.2613 8.2698 8.6184 8.6291 9.0694 9.0815 11.0651 11.0758 k = 0.3131-1.0218-1.8237 ( 4733 PWs) bands (ev): -7.8075 -7.8060 -7.5647 -7.5641 -6.7003 -6.6997 -4.5972 -4.5945 -1.4270 -1.4079 -0.9298 -0.9242 -0.2938 -0.2872 -0.0025 0.0012 0.2245 0.2537 0.4934 0.5511 0.5711 0.6333 0.6999 0.9068 1.0116 1.0621 1.1054 1.2099 1.7941 1.8218 2.1701 2.1785 2.6202 2.6327 2.8541 2.8659 3.9551 3.9633 4.2933 4.3097 5.6254 5.6287 8.2697 8.2780 8.6345 8.6450 9.0435 9.0555 11.1163 11.1274 k = 0.3188-1.0403-1.8568 ( 4731 PWs) bands (ev): -7.8011 -7.7995 -7.5609 -7.5604 -6.6985 -6.6979 -4.5941 -4.5914 -1.4206 -1.4008 -0.9309 -0.9251 -0.3134 -0.3070 -0.0140 -0.0131 0.2242 0.2541 0.5017 0.5574 0.5671 0.6334 0.7010 0.9097 1.0200 1.0578 1.0905 1.2102 1.7782 1.8060 2.1696 2.1781 2.6509 2.6639 2.8209 2.8318 3.9585 3.9670 4.2700 4.2852 5.6222 5.6246 8.2774 8.2854 8.6506 8.6607 9.0216 9.0334 11.1697 11.1813 k = 0.3245-1.0589-1.8900 ( 4739 PWs) bands (ev): -7.7969 -7.7953 -7.5585 -7.5579 -6.6973 -6.6967 -4.5921 -4.5894 -1.4153 -1.3950 -0.9314 -0.9254 -0.3272 -0.3207 -0.0242 -0.0209 0.2239 0.2543 0.5088 0.5533 0.5718 0.6331 0.7020 0.9116 1.0294 1.0555 1.0755 1.2099 1.7648 1.7923 2.1731 2.1815 2.6816 2.6956 2.7893 2.7990 3.9611 3.9700 4.2523 4.2664 5.6190 5.6206 8.2832 8.2912 8.6660 8.6755 9.0051 9.0163 11.2250 11.2370 k = 0.3302-1.0775-1.9231 ( 4735 PWs) bands (ev): -7.7948 -7.7932 -7.5573 -7.5567 -6.6967 -6.6961 -4.5910 -4.5883 -1.4121 -1.3914 -0.9317 -0.9255 -0.3346 -0.3279 -0.0307 -0.0242 0.2237 0.2544 0.5129 0.5492 0.5766 0.6324 0.7029 0.9127 1.0396 1.0551 1.0613 1.2092 1.7539 1.7810 2.1805 2.1881 2.7103 2.7277 2.7615 2.7677 3.9620 3.9711 4.2414 4.2549 5.6159 5.6168 8.2863 8.2942 8.6805 8.6890 8.9948 9.0054 11.2811 11.2935 k = 0.3358-1.0961-1.9563 ( 4737 PWs) bands (ev): -7.7947 -7.7931 -7.5572 -7.5566 -6.6967 -6.6960 -4.5910 -4.5883 -1.4116 -1.3909 -0.9318 -0.9256 -0.3353 -0.3286 -0.0326 -0.0232 0.2238 0.2547 0.5113 0.5500 0.5794 0.6317 0.7034 0.9128 1.0436 1.0519 1.0591 1.2082 1.7457 1.7718 2.1913 2.1975 2.7169 2.7365 2.7572 2.7617 3.9601 3.9691 4.2386 4.2520 5.6127 5.6135 8.2854 8.2933 8.6942 8.7015 8.9911 9.0009 11.3339 11.3443 k = 0.6642-1.0212-1.9124 ( 4737 PWs) bands (ev): -7.7947 -7.7931 -7.5572 -7.5566 -6.6967 -6.6960 -4.5910 -4.5883 -1.4116 -1.3909 -0.9318 -0.9256 -0.3353 -0.3286 -0.0326 -0.0232 0.2238 0.2547 0.5113 0.5500 0.5794 0.6317 0.7034 0.9128 1.0436 1.0519 1.0591 1.2082 1.7457 1.7718 2.1913 2.1975 2.7169 2.7365 2.7572 2.7617 3.9601 3.9691 4.2386 4.2520 5.6127 5.6135 8.2854 8.2933 8.6942 8.7015 8.9911 9.0009 11.3339 11.3443 k = 0.6585-0.9834-1.9124 ( 4740 PWs) bands (ev): -7.7964 -7.7948 -7.5582 -7.5576 -6.6972 -6.6966 -4.5918 -4.5891 -1.4144 -1.3940 -0.9321 -0.9260 -0.3295 -0.3230 -0.0297 -0.0175 0.2245 0.2554 0.5049 0.5552 0.5802 0.6311 0.7035 0.9122 1.0315 1.0562 1.0683 1.2071 1.7400 1.7650 2.2050 2.2094 2.6942 2.7086 2.7844 2.7941 3.9545 3.9633 4.2447 4.2588 5.6093 5.6107 8.2796 8.2874 8.7074 8.7136 8.9937 9.0025 11.3131 11.3192 k = 0.6528-0.9456-1.9124 ( 4738 PWs) bands (ev): -7.7997 -7.7982 -7.5601 -7.5596 -6.6983 -6.6977 -4.5935 -4.5908 -1.4208 -1.4010 -0.9327 -0.9269 -0.3179 -0.3118 -0.0216 -0.0069 0.2258 0.2572 0.4960 0.5624 0.5799 0.6305 0.7032 0.9108 1.0193 1.0601 1.0805 1.2059 1.7367 1.7602 2.2214 2.2235 2.6688 2.6820 2.8159 2.8272 3.9452 3.9536 4.2602 4.2755 5.6060 5.6082 8.2681 8.2758 8.7211 8.7264 9.0012 9.0093 11.2439 11.2498 k = 0.6472-0.9078-1.9124 ( 4730 PWs) bands (ev): -7.8045 -7.8030 -7.5630 -7.5624 -6.7000 -6.6994 -4.5959 -4.5932 -1.4309 -1.4119 -0.9339 -0.9285 -0.3017 -0.2959 -0.0081 0.0091 0.2284 0.2604 0.4864 0.5700 0.5794 0.6301 0.7024 0.9088 1.0084 1.0645 1.0932 1.2045 1.7355 1.7574 2.2390 2.2410 2.6443 2.6570 2.8482 2.8607 3.9326 3.9405 4.2847 4.3015 5.6027 5.6058 8.2505 8.2580 8.7360 8.7406 9.0120 9.0196 11.1542 11.1586 k = 0.6415-0.8700-1.9124 ( 4732 PWs) bands (ev): -7.8107 -7.8092 -7.5666 -7.5660 -6.7022 -6.7016 -4.5990 -4.5963 -1.4445 -1.4265 -0.9358 -0.9310 -0.2823 -0.2768 0.0108 0.0305 0.2326 0.2657 0.4768 0.5754 0.5815 0.6297 0.7012 0.9062 0.9990 1.0696 1.1056 1.2030 1.7358 1.7560 2.2575 2.2623 2.6213 2.6337 2.8810 2.8945 3.9174 3.9247 4.3175 4.3360 5.5996 5.6035 8.2269 8.2342 8.7524 8.7567 9.0243 9.0317 11.0464 11.0492 k = 0.6359-0.8322-1.9124 ( 4736 PWs) bands (ev): -7.8180 -7.8165 -7.5709 -7.5704 -6.7049 -6.7043 -4.6027 -4.6001 -1.4613 -1.4444 -0.9388 -0.9345 -0.2615 -0.2560 0.0351 0.0576 0.2392 0.2734 0.4676 0.5772 0.5881 0.6295 0.6999 0.9033 0.9912 1.0756 1.1174 1.2014 1.7371 1.7556 2.2780 2.2859 2.5999 2.6122 2.9140 2.9285 3.9005 3.9072 4.3580 4.3781 5.5966 5.6014 8.1976 8.2046 8.7699 8.7741 9.0362 9.0437 10.9247 10.9265 k = 0.6302-0.7944-1.9124 ( 4738 PWs) bands (ev): -7.8262 -7.8248 -7.5759 -7.5754 -6.7081 -6.7075 -4.6069 -4.6043 -1.4806 -1.4650 -0.9431 -0.9393 -0.2411 -0.2351 0.0639 0.0902 0.2494 0.2840 0.4594 0.5794 0.5954 0.6298 0.6987 0.9002 0.9852 1.0828 1.1286 1.2003 1.7387 1.7557 2.3005 2.3116 2.5805 2.5927 2.9472 2.9628 3.8825 3.8885 4.4053 4.4270 5.5937 5.5994 8.1631 8.1698 8.7875 8.7919 9.0461 9.0538 10.7946 10.7967 k = 0.6245-0.7566-1.9124 ( 4736 PWs) bands (ev): -7.8353 -7.8340 -7.5815 -7.5810 -6.7117 -6.7111 -4.6116 -4.6090 -1.5021 -1.4876 -0.9487 -0.9454 -0.2227 -0.2159 0.0958 0.1282 0.2646 0.2974 0.4528 0.5837 0.6021 0.6310 0.6980 0.8971 0.9808 1.0914 1.1391 1.2005 1.7401 1.7556 2.3247 2.3387 2.5634 2.5755 2.9808 2.9974 3.8639 3.8693 4.4588 4.4820 5.5909 5.5974 8.1236 8.1301 8.8038 8.8086 9.0522 9.0603 10.6622 10.6653 k = 0.6189-0.7188-1.9124 ( 4736 PWs) bands (ev): -7.8450 -7.8437 -7.5875 -7.5870 -6.7157 -6.7152 -4.6166 -4.6141 -1.5252 -1.5118 -0.9556 -0.9528 -0.2073 -0.1998 0.1283 0.1707 0.2867 0.3131 0.4487 0.5905 0.6077 0.6335 0.6985 0.8940 0.9778 1.1014 1.1487 1.2034 1.7406 1.7549 2.3496 2.3658 2.5496 2.5612 3.0148 3.0324 3.8451 3.8499 4.5178 4.5424 5.5881 5.5955 8.0796 8.0858 8.8167 8.8224 9.0530 9.0615 10.5332 10.5377 k = 0.6132-0.6810-1.9124 ( 4742 PWs) bands (ev): -7.8552 -7.8539 -7.5939 -7.5934 -6.7201 -6.7195 -4.6220 -4.6196 -1.5492 -1.5370 -0.9638 -0.9614 -0.1956 -0.1877 0.1583 0.2161 0.3174 0.3295 0.4488 0.6006 0.6120 0.6375 0.7008 0.8912 0.9760 1.1119 1.1580 1.2111 1.7399 1.7532 2.3733 2.3906 2.5410 2.5513 3.0494 3.0681 3.8264 3.8307 4.5817 4.6077 5.5852 5.5937 8.0312 8.0372 8.8241 8.8308 9.0468 9.0557 10.4130 10.4188 k = 0.6076-0.6432-1.9124 ( 4748 PWs) bands (ev): -7.8657 -7.8645 -7.6006 -7.6002 -6.7247 -6.7242 -4.6276 -4.6253 -1.5739 -1.5628 -0.9732 -0.9711 -0.1879 -0.1797 0.1838 0.2619 0.3445 0.3564 0.4554 0.6126 0.6174 0.6429 0.7060 0.8886 0.9751 1.1203 1.1701 1.2250 1.7379 1.7503 2.3928 2.4090 2.5406 2.5484 3.0848 3.1045 3.8081 3.8119 4.6499 4.6772 5.5824 5.5919 7.9784 7.9843 8.8235 8.8313 9.0320 9.0411 10.3064 10.3135 k = 0.6019-0.6054-1.9124 ( 4750 PWs) bands (ev): -7.8764 -7.8753 -7.6075 -7.6071 -6.7296 -6.7291 -4.6334 -4.6311 -1.5988 -1.5887 -0.9835 -0.9816 -0.1839 -0.1758 0.2045 0.3041 0.3561 0.4013 0.4711 0.6164 0.6355 0.6501 0.7151 0.8861 0.9750 1.1238 1.1895 1.2454 1.7347 1.7463 2.4044 2.4175 2.5496 2.5564 3.1212 3.1418 3.7903 3.7939 4.7216 4.7502 5.5797 5.5903 7.9211 7.9269 8.8127 8.8215 9.0073 9.0161 10.2179 10.2262 k = 0.5962-0.5676-1.9124 ( 4758 PWs) bands (ev): -7.8873 -7.8862 -7.6146 -7.6142 -6.7346 -6.7341 -4.6392 -4.6371 -1.6236 -1.6143 -0.9945 -0.9928 -0.1831 -0.1753 0.2212 0.3362 0.3668 0.4472 0.4949 0.6182 0.6592 0.6635 0.7293 0.8838 0.9755 1.1226 1.2176 1.2724 1.7302 1.7413 2.4066 2.4169 2.5660 2.5762 3.1588 3.1802 3.7732 3.7771 4.7961 4.8260 5.5770 5.5889 7.8593 7.8650 8.7897 8.7992 8.9719 8.9797 10.1512 10.1604 k = 0.5906-0.5298-1.9124 ( 4750 PWs) bands (ev): -7.8980 -7.8970 -7.6217 -7.6213 -6.7397 -6.7393 -4.6451 -4.6431 -1.6480 -1.6395 -1.0060 -1.0045 -0.1851 -0.1778 0.2346 0.3493 0.3854 0.4890 0.5211 0.6189 0.6750 0.6995 0.7512 0.8817 0.9764 1.1188 1.2537 1.3057 1.7248 1.7353 2.4014 2.4107 2.5881 2.6021 3.1976 3.2198 3.7573 3.7616 4.8726 4.9037 5.5745 5.5878 7.7929 7.7986 8.7533 8.7634 8.9262 8.9324 10.1079 10.1176 k = 0.5849-0.4920-1.9124 ( 4750 PWs) bands (ev): -7.9086 -7.9077 -7.6288 -7.6285 -6.7449 -6.7445 -4.6510 -4.6490 -1.6716 -1.6640 -1.0178 -1.0164 -0.1891 -0.1824 0.2454 0.3508 0.4068 0.5228 0.5426 0.6186 0.6937 0.7471 0.7848 0.8798 0.9777 1.1134 1.2970 1.3453 1.7187 1.7287 2.3919 2.4016 2.6128 2.6294 3.2374 3.2601 3.7430 3.7481 4.9501 4.9825 5.5723 5.5873 7.7220 7.7276 8.7033 8.7137 8.8725 8.8764 10.0872 10.0971 k = 0.5792-0.4543-1.9124 ( 4746 PWs) bands (ev): -7.9190 -7.9181 -7.6358 -7.6355 -6.7501 -6.7498 -4.6568 -4.6549 -1.6945 -1.6875 -1.0296 -1.0284 -0.1948 -0.1887 0.2542 0.3488 0.4254 0.5477 0.5570 0.6175 0.7120 0.8035 0.8324 0.8790 0.9798 1.1074 1.3467 1.3909 1.7122 1.7217 2.3804 2.3908 2.6376 2.6558 3.2775 3.3005 3.7310 3.7372 5.0274 5.0612 5.5710 5.5878 7.6468 7.6524 8.6401 8.6507 8.8139 8.8158 10.0855 10.0953 k = 0.5736-0.4165-1.9124 ( 4752 PWs) bands (ev): -7.9290 -7.9282 -7.6427 -7.6424 -6.7553 -6.7549 -4.6624 -4.6607 -1.7162 -1.7100 -1.0414 -1.0402 -0.2015 -0.1961 0.2612 0.3456 0.4409 0.5647 0.5662 0.6158 0.7276 0.8554 0.8841 0.8956 0.9840 1.1012 1.4019 1.4416 1.7055 1.7145 2.3680 2.3793 2.6609 2.6799 3.3168 3.3401 3.7221 3.7296 5.1031 5.1384 5.5709 5.5900 7.5679 7.5735 8.5655 8.5759 8.7534 8.7553 10.0958 10.1053 k = 0.5679-0.3787-1.9124 ( 4760 PWs) bands (ev): -7.9386 -7.9379 -7.6493 -7.6490 -6.7602 -6.7599 -4.6679 -4.6662 -1.7368 -1.7312 -1.0529 -1.0518 -0.2090 -0.2042 0.2668 0.3419 0.4539 0.5704 0.5775 0.6139 0.7407 0.8650 0.9337 0.9590 0.9967 1.0953 1.4615 1.4965 1.6990 1.7077 2.3553 2.3674 2.6817 2.7009 3.3538 3.3770 3.7177 3.7264 5.1753 5.2121 5.5734 5.5948 7.4861 7.4917 8.4824 8.4923 8.6943 8.6969 10.1024 10.1108 k = 0.5623-0.3409-1.9124 ( 4756 PWs) bands (ev): -7.9477 -7.9470 -7.6556 -7.6553 -6.7651 -6.7648 -4.6731 -4.6715 -1.7561 -1.7511 -1.0639 -1.0629 -0.2168 -0.2126 0.2714 0.3379 0.4650 0.5731 0.5853 0.6123 0.7518 0.8633 0.9639 1.0252 1.0399 1.0922 1.5242 1.5536 1.6932 1.7020 2.3425 2.3555 2.6997 2.7185 3.3866 3.4092 3.7194 3.7292 5.2416 5.2796 5.5804 5.6040 7.4027 7.4082 8.3943 8.4032 8.6387 8.6416 10.0832 10.0896 k = 0.5566-0.3031-1.9124 ( 4758 PWs) bands (ev): -7.9562 -7.9556 -7.6615 -7.6613 -6.7696 -6.7694 -4.6780 -4.6766 -1.7740 -1.7695 -1.0743 -1.0734 -0.2247 -0.2211 0.2752 0.3338 0.4747 0.5741 0.5901 0.6109 0.7613 0.8602 0.9728 1.0671 1.1042 1.1159 1.5883 1.6083 1.6885 1.7013 2.3297 2.3436 2.7145 2.7328 3.4129 3.4343 3.7287 3.7390 5.2989 5.3369 5.5949 5.6196 7.3190 7.3244 8.3045 8.3124 8.5874 8.5901 10.0439 10.0488 k = 0.5509-0.2653-1.9124 ( 4756 PWs) bands (ev): -7.9641 -7.9636 -7.6671 -7.6669 -6.7739 -6.7737 -4.6825 -4.6812 -1.7904 -1.7864 -1.0841 -1.0833 -0.2324 -0.2293 0.2784 0.3297 0.4834 0.5739 0.5926 0.6101 0.7696 0.8566 0.9774 1.0675 1.1724 1.1795 1.6440 1.6505 1.6884 1.7199 2.3170 2.3318 2.7264 2.7438 3.4318 3.4512 3.7462 3.7563 5.3442 5.3798 5.6203 5.6438 7.2367 7.2419 8.2159 8.2228 8.5406 8.5431 9.9986 10.0028 k = 0.5453-0.2275-1.9124 ( 4756 PWs) bands (ev): -7.9713 -7.9708 -7.6722 -7.6720 -6.7779 -6.7777 -4.6867 -4.6855 -1.8052 -1.8017 -1.0931 -1.0923 -0.2397 -0.2371 0.2811 0.3256 0.4912 0.5726 0.5939 0.6094 0.7768 0.8526 0.9812 1.0623 1.2394 1.2456 1.6547 1.6693 1.7283 1.7674 2.3043 2.3202 2.7355 2.7517 3.4432 3.4602 3.7706 3.7799 5.3762 5.4067 5.6573 5.6771 7.1574 7.1623 8.1309 8.1367 8.4985 8.5006 9.9529 9.9566 k = 0.5396-0.1897-1.9124 ( 4752 PWs) bands (ev): -7.9778 -7.9773 -7.6768 -7.6766 -6.7815 -6.7813 -4.6904 -4.6894 -1.8183 -1.8153 -1.1012 -1.1005 -0.2465 -0.2443 0.2835 0.3217 0.4985 0.5705 0.5945 0.6087 0.7833 0.8484 0.9848 1.0563 1.3028 1.3086 1.6539 1.6660 1.7901 1.8250 2.2916 2.3084 2.7420 2.7569 3.4485 3.4629 3.7996 3.8078 5.3964 5.4206 5.7020 5.7171 7.0828 7.0874 8.0515 8.0564 8.4613 8.4630 9.9089 9.9121 k = 0.5340-0.1519-1.9124 ( 4746 PWs) bands (ev): -7.9835 -7.9831 -7.6809 -7.6807 -6.7847 -6.7845 -4.6937 -4.6929 -1.8298 -1.8273 -1.1083 -1.1077 -0.2527 -0.2508 0.2857 0.3179 0.5054 0.5677 0.5949 0.6079 0.7891 0.8441 0.9886 1.0502 1.3610 1.3665 1.6509 1.6612 1.8511 1.8832 2.2788 2.2965 2.7462 2.7596 3.4495 3.4614 3.8302 3.8372 5.4077 5.4263 5.7490 5.7600 7.0146 7.0187 7.9794 7.9835 8.4290 8.4304 9.8679 9.8706 k = 0.5283-0.1141-1.9124 ( 4744 PWs) bands (ev): -7.9883 -7.9880 -7.6844 -7.6842 -6.7874 -6.7873 -4.6966 -4.6958 -1.8395 -1.8375 -1.1145 -1.1140 -0.2580 -0.2565 0.2878 0.3143 0.5119 0.5642 0.5953 0.6068 0.7944 0.8396 0.9926 1.0441 1.4128 1.4181 1.6475 1.6565 1.9088 1.9386 2.2656 2.2842 2.7487 2.7604 3.4480 3.4575 3.8599 3.8657 5.4134 5.4274 5.7939 5.8018 6.9541 6.9578 7.9160 7.9193 8.4016 8.4026 9.8311 9.8333 k = 0.5226-0.0763-1.9124 ( 4734 PWs) bands (ev): -7.9923 -7.9921 -7.6872 -7.6872 -6.7897 -6.7896 -4.6989 -4.6983 -1.8475 -1.8459 -1.1195 -1.1192 -0.2624 -0.2613 0.2899 0.3109 0.5181 0.5602 0.5960 0.6056 0.7993 0.8352 0.9968 1.0381 1.4573 1.4622 1.6443 1.6521 1.9616 1.9893 2.2522 2.2712 2.7499 2.7597 3.4452 3.4526 3.8868 3.8914 5.4158 5.4260 5.8338 5.8395 6.9028 6.9059 7.8625 7.8651 8.3791 8.3799 9.7994 9.8012 k = 0.5170-0.0385-1.9124 ( 4734 PWs) bands (ev): -7.9955 -7.9953 -7.6895 -7.6894 -6.7915 -6.7914 -4.7007 -4.7003 -1.8537 -1.8525 -1.1235 -1.1232 -0.2659 -0.2651 0.2920 0.3077 0.5241 0.5558 0.5967 0.6042 0.8040 0.8307 1.0013 1.0323 1.4934 1.4978 1.6416 1.6481 2.0085 2.0336 2.2386 2.2574 2.7503 2.7579 3.4422 3.4477 3.9093 3.9127 5.4164 5.4236 5.8667 5.8707 6.8617 6.8642 7.8200 7.8219 8.3615 8.3621 9.7738 9.7751 k = 0.5113-0.0007-1.9124 ( 4730 PWs) bands (ev): -7.9977 -7.9976 -7.6912 -7.6911 -6.7928 -6.7928 -4.7020 -4.7017 -1.8581 -1.8573 -1.1264 -1.1262 -0.2684 -0.2679 0.2942 0.3046 0.5299 0.5511 0.5977 0.6028 0.8086 0.8263 1.0059 1.0267 1.5204 1.5239 1.6397 1.6446 2.0480 2.0688 2.2262 2.2429 2.7505 2.7557 3.4399 3.4435 3.9263 3.9286 5.4165 5.4210 5.8914 5.8940 6.8319 6.8335 7.7891 7.7903 8.3489 8.3493 9.7550 9.7559 k = 0.5057 0.0371-1.9124 ( 4736 PWs) bands (ev): -7.9991 -7.9990 -7.6921 -7.6921 -6.7936 -6.7936 -4.7027 -4.7026 -1.8606 -1.8602 -1.1281 -1.1280 -0.2699 -0.2696 0.2966 0.3017 0.5355 0.5461 0.5988 0.6014 0.8131 0.8219 1.0108 1.0212 1.5375 1.5395 1.6390 1.6417 2.0778 2.0906 2.2181 2.2289 2.7509 2.7536 3.4386 3.4404 3.9370 3.9382 5.4166 5.4189 5.9068 5.9081 6.8138 6.8147 7.7705 7.7711 8.3414 8.3416 9.7436 9.7440 k = 0.5000 0.0749-1.9124 ( 4738 PWs) bands (ev): -7.9995 -7.9995 -7.6925 -7.6925 -6.7938 -6.7938 -4.7030 -4.7030 -1.8614 -1.8614 -1.1286 -1.1286 -0.2703 -0.2703 0.2990 0.2990 0.5409 0.5409 0.6000 0.6000 0.8175 0.8175 1.0159 1.0159 1.5441 1.5441 1.6397 1.6397 2.0937 2.0937 2.2190 2.2190 2.7519 2.7519 3.4388 3.4388 3.9410 3.9410 5.4174 5.4174 5.9124 5.9124 6.8081 6.8081 7.7644 7.7644 8.3390 8.3390 9.7399 9.7399 k = 0.5000 0.0749-1.9124 ( 4738 PWs) bands (ev): -7.9995 -7.9995 -7.6925 -7.6925 -6.7938 -6.7938 -4.7030 -4.7030 -1.8614 -1.8614 -1.1286 -1.1286 -0.2703 -0.2703 0.2990 0.2990 0.5409 0.5409 0.6000 0.6000 0.8175 0.8175 1.0159 1.0159 1.5441 1.5441 1.6397 1.6397 2.0937 2.0937 2.2190 2.2190 2.7519 2.7519 3.4388 3.4388 3.9410 3.9410 5.4174 5.4174 5.9124 5.9124 6.8081 6.8081 7.7644 7.7644 8.3390 8.3390 9.7399 9.7399 k = 0.5328 0.0798-1.9036 ( 4739 PWs) bands (ev): -7.9995 -7.9995 -7.6925 -7.6925 -6.7938 -6.7938 -4.7030 -4.7030 -1.8614 -1.8613 -1.1286 -1.1286 -0.2703 -0.2702 0.2985 0.2996 0.5409 0.5410 0.5995 0.6010 0.8176 0.8178 1.0159 1.0163 1.5441 1.5442 1.6393 1.6410 2.0929 2.0946 2.2189 2.2190 2.7466 2.7477 3.4429 3.4430 3.9411 3.9411 5.4184 5.4186 5.9123 5.9124 6.8065 6.8066 7.7645 7.7649 8.3386 8.3389 9.7361 9.7369 k = 0.5657 0.0847-1.8949 ( 4733 PWs) bands (ev): -7.9997 -7.9996 -7.6926 -7.6926 -6.7938 -6.7938 -4.7031 -4.7030 -1.8613 -1.8612 -1.1287 -1.1286 -0.2703 -0.2702 0.2979 0.3000 0.5411 0.5412 0.5995 0.6024 0.8181 0.8185 1.0162 1.0170 1.5441 1.5444 1.6398 1.6433 2.0920 2.0954 2.2187 2.2188 2.7321 2.7342 3.4549 3.4551 3.9414 3.9414 5.4215 5.4219 5.9120 5.9122 6.8020 6.8021 7.7652 7.7660 8.3377 8.3384 9.7256 9.7273 k = 0.5985 0.0896-1.8861 ( 4735 PWs) bands (ev): -7.9999 -7.9998 -7.6928 -7.6928 -6.7938 -6.7938 -4.7032 -4.7031 -1.8612 -1.8610 -1.1287 -1.1286 -0.2702 -0.2700 0.2973 0.3004 0.5412 0.5415 0.5999 0.6041 0.8189 0.8197 1.0169 1.0181 1.5443 1.5447 1.6413 1.6464 2.0913 2.0963 2.2185 2.2186 2.7097 2.7128 3.4736 3.4740 3.9418 3.9419 5.4266 5.4271 5.9117 5.9119 6.7946 6.7948 7.7665 7.7676 8.3365 8.3375 9.7094 9.7118 k = 0.6313 0.0946-1.8773 ( 4737 PWs) bands (ev): -8.0001 -8.0001 -7.6931 -7.6930 -6.7938 -6.7938 -4.7033 -4.7033 -1.8610 -1.8608 -1.1287 -1.1286 -0.2700 -0.2698 0.2967 0.3007 0.5413 0.5418 0.6008 0.6061 0.8200 0.8214 1.0179 1.0195 1.5446 1.5451 1.6435 1.6502 2.0910 2.0975 2.2182 2.2184 2.6810 2.6852 3.4973 3.4978 3.9424 3.9425 5.4335 5.4342 5.9112 5.9115 6.7848 6.7851 7.7682 7.7696 8.3349 8.3361 9.6885 9.6914 k = 0.6642 0.0995-1.8685 ( 4737 PWs) bands (ev): -8.0005 -8.0005 -7.6935 -7.6934 -6.7938 -6.7938 -4.7035 -4.7034 -1.8608 -1.8605 -1.1287 -1.1286 -0.2698 -0.2696 0.2960 0.3009 0.5414 0.5423 0.6022 0.6084 0.8213 0.8234 1.0191 1.0212 1.5450 1.5456 1.6464 1.6545 2.0912 2.0991 2.2178 2.2180 2.6478 2.6530 3.5244 3.5250 3.9431 3.9432 5.4418 5.4427 5.9106 5.9110 6.7730 6.7733 7.7704 7.7720 8.3330 8.3344 9.6642 9.6674 k = 0.6642 0.0995-1.8685 ( 4737 PWs) bands (ev): -8.0005 -8.0005 -7.6935 -7.6934 -6.7938 -6.7938 -4.7035 -4.7034 -1.8608 -1.8605 -1.1287 -1.1286 -0.2698 -0.2696 0.2960 0.3009 0.5414 0.5423 0.6022 0.6084 0.8213 0.8234 1.0191 1.0212 1.5450 1.5456 1.6464 1.6545 2.0912 2.0991 2.2178 2.2180 2.6478 2.6530 3.5244 3.5250 3.9431 3.9432 5.4418 5.4427 5.9106 5.9110 6.7730 6.7733 7.7704 7.7720 8.3330 8.3344 9.6642 9.6674 k = 0.6609 0.0990-1.8303 ( 4735 PWs) bands (ev): -8.0053 -8.0052 -7.6970 -7.6968 -6.7943 -6.7943 -4.7060 -4.7058 -1.8543 -1.8537 -1.1221 -1.1218 -0.2687 -0.2684 0.2954 0.3029 0.5382 0.5458 0.6057 0.6079 0.8108 0.8304 1.0119 1.0178 1.5469 1.5476 1.6482 1.6632 2.0990 2.1046 2.2200 2.2200 2.6457 2.6516 3.5254 3.5263 3.9446 3.9447 5.4439 5.4458 5.9128 5.9138 6.7792 6.7794 7.7735 7.7753 8.3377 8.3387 9.6635 9.6665 k = 0.6576 0.0985-1.7920 ( 4735 PWs) bands (ev): -8.0138 -8.0137 -7.7032 -7.7029 -6.7952 -6.7952 -4.7105 -4.7101 -1.8426 -1.8417 -1.1101 -1.1096 -0.2662 -0.2659 0.2953 0.3053 0.5346 0.5487 0.6082 0.6100 0.7985 0.8359 1.0029 1.0112 1.5504 1.5511 1.6563 1.6769 2.1051 2.1083 2.2236 2.2239 2.6474 2.6540 3.5279 3.5290 3.9471 3.9474 5.4479 5.4508 5.9169 5.9185 6.7882 6.7883 7.7794 7.7814 8.3456 8.3462 9.6648 9.6676 k = 0.6543 0.0980-1.7538 ( 4735 PWs) bands (ev): -8.0258 -8.0257 -7.7121 -7.7117 -6.7966 -6.7966 -4.7168 -4.7163 -1.8257 -1.8245 -1.0929 -1.0921 -0.2625 -0.2619 0.2956 0.3079 0.5306 0.5511 0.6091 0.6149 0.7846 0.8401 0.9930 1.0017 1.5555 1.5562 1.6697 1.6945 2.1101 2.1107 2.2288 2.2293 2.6526 2.6600 3.5323 3.5336 3.9508 3.9511 5.4538 5.4578 5.9231 5.9251 6.8001 6.8001 7.7881 7.7902 8.3566 8.3567 9.6682 9.6707 k = 0.6510 0.0975-1.7155 ( 4735 PWs) bands (ev): -8.0414 -8.0412 -7.7235 -7.7231 -6.7985 -6.7985 -4.7250 -4.7244 -1.8039 -1.8024 -1.0705 -1.0695 -0.2575 -0.2565 0.2964 0.3107 0.5263 0.5530 0.6107 0.6201 0.7696 0.8431 0.9828 0.9899 1.5621 1.5629 1.6871 1.7144 2.1125 2.1148 2.2357 2.2364 2.6607 2.6690 3.5391 3.5406 3.9555 3.9559 5.4615 5.4664 5.9311 5.9337 6.8147 6.8149 7.7995 7.8018 8.3703 8.3706 9.6735 9.6757 k = 0.6477 0.0970-1.6773 ( 4741 PWs) bands (ev): -8.0601 -8.0599 -7.7374 -7.7369 -6.8010 -6.8010 -4.7350 -4.7343 -1.7773 -1.7754 -1.0432 -1.0419 -0.2511 -0.2497 0.2977 0.3136 0.5217 0.5544 0.6129 0.6252 0.7543 0.8449 0.9728 0.9767 1.5702 1.5710 1.7071 1.7351 2.1148 2.1203 2.2443 2.2450 2.6711 2.6803 3.5489 3.5505 3.9614 3.9618 5.4706 5.4765 5.9411 5.9442 6.8322 6.8324 7.8137 7.8161 8.3869 8.3877 9.6806 9.6825 k = 0.6445 0.0965-1.6391 ( 4742 PWs) bands (ev): -8.0819 -8.0817 -7.7538 -7.7532 -6.8042 -6.8042 -4.7468 -4.7459 -1.7462 -1.7439 -1.0111 -1.0096 -0.2435 -0.2413 0.2994 0.3165 0.5169 0.5554 0.6157 0.6297 0.7397 0.8457 0.9627 0.9632 1.5798 1.5807 1.7280 1.7552 2.1186 2.1274 2.2545 2.2554 2.6831 2.6932 3.5622 3.5641 3.9683 3.9688 5.4810 5.4878 5.9530 5.9566 6.8526 6.8529 7.8305 7.8330 8.4065 8.4077 9.6894 9.6911 k = 0.6412 0.0960-1.6008 ( 4746 PWs) bands (ev): -8.1065 -8.1063 -7.7724 -7.7718 -6.8081 -6.8081 -4.7603 -4.7593 -1.7109 -1.7082 -0.9745 -0.9727 -0.2344 -0.2312 0.3014 0.3194 0.5121 0.5556 0.6191 0.6327 0.7274 0.8454 0.9486 0.9542 1.5909 1.5918 1.7485 1.7737 2.1247 2.1371 2.2664 2.2673 2.6962 2.7072 3.5797 3.5818 3.9762 3.9768 5.4924 5.5000 5.9667 5.9708 6.8758 6.8762 7.8500 7.8526 8.4290 8.4307 9.7000 9.7012 k = 0.6379 0.0955-1.5626 ( 4740 PWs) bands (ev): -8.1336 -8.1334 -7.7932 -7.7926 -6.8128 -6.8128 -4.7753 -4.7742 -1.6717 -1.6686 -0.9337 -0.9315 -0.2238 -0.2193 0.3039 0.3222 0.5073 0.5547 0.6231 0.6333 0.7191 0.8441 0.9351 0.9458 1.6035 1.6045 1.7675 1.7897 2.1339 2.1498 2.2799 2.2809 2.7100 2.7221 3.6018 3.6043 3.9851 3.9858 5.5046 5.5130 5.9823 5.9869 6.9019 6.9023 7.8721 7.8749 8.4543 8.4565 9.7120 9.7129 k = 0.6346 0.0950-1.5243 ( 4735 PWs) bands (ev): -8.1631 -8.1628 -7.8161 -7.8154 -6.8184 -6.8184 -4.7919 -4.7908 -1.6290 -1.6255 -0.8890 -0.8866 -0.2112 -0.2053 0.3066 0.3247 0.5027 0.5521 0.6275 0.6313 0.7161 0.8416 0.9225 0.9378 1.6175 1.6185 1.7844 1.8031 2.1462 2.1653 2.2950 2.2960 2.7246 2.7375 3.6291 3.6320 3.9950 3.9958 5.5172 5.5263 5.9997 6.0047 6.9308 6.9314 7.8968 7.8997 8.4824 8.4852 9.7256 9.7260 k = 0.6313 0.0946-1.4861 ( 4732 PWs) bands (ev): -8.1945 -8.1943 -7.8408 -7.8401 -6.8248 -6.8248 -4.8100 -4.8087 -1.5834 -1.5795 -0.8409 -0.8382 -0.1964 -0.1888 0.3095 0.3271 0.4984 0.5474 0.6278 0.6324 0.7180 0.8379 0.9113 0.9303 1.6329 1.6340 1.7989 1.8141 2.1614 2.1830 2.3118 2.3128 2.7400 2.7537 3.6619 3.6653 4.0059 4.0066 5.5300 5.5398 6.0188 6.0242 6.9627 6.9634 7.9240 7.9271 8.5132 8.5165 9.7406 9.7406 k = 0.6280 0.0941-1.4478 ( 4734 PWs) bands (ev): -8.2277 -8.2275 -7.8672 -7.8665 -6.8322 -6.8322 -4.8294 -4.8280 -1.5355 -1.5310 -0.7899 -0.7868 -0.1789 -0.1694 0.3124 0.3292 0.4945 0.5400 0.6245 0.6377 0.7236 0.8329 0.9017 0.9231 1.6496 1.6509 1.8113 1.8232 2.1788 2.2021 2.3301 2.3311 2.7565 2.7709 3.7002 3.7044 4.0175 4.0183 5.5428 5.5532 6.0396 6.0454 6.9976 6.9983 7.9538 7.9570 8.5466 8.5504 9.7565 9.7570 k = 0.6248 0.0936-1.4096 ( 4732 PWs) bands (ev): -8.2625 -8.2622 -7.8952 -7.8945 -6.8406 -6.8405 -4.8500 -4.8486 -1.4858 -1.4809 -0.7364 -0.7331 -0.1580 -0.1465 0.3153 0.3310 0.4911 0.5304 0.6226 0.6433 0.7316 0.8267 0.8938 0.9162 1.6677 1.6691 1.8221 1.8312 2.1974 2.2217 2.3499 2.3509 2.7744 2.7895 3.7444 3.7494 4.0300 4.0309 5.5552 5.5663 6.0621 6.0683 7.0353 7.0361 7.9860 7.9893 8.5824 8.5868 9.7737 9.7748 k = 0.6215 0.0931-1.3713 ( 4736 PWs) bands (ev): -8.2985 -8.2983 -7.9245 -7.9238 -6.8499 -6.8498 -4.8718 -4.8703 -1.4353 -1.4299 -0.6809 -0.6775 -0.1330 -0.1194 0.3182 0.3326 0.4883 0.5192 0.6223 0.6493 0.7412 0.8197 0.8873 0.9095 1.6871 1.6886 1.8317 1.8385 2.2168 2.2410 2.3712 2.3722 2.7942 2.8097 3.7944 3.8003 4.0433 4.0442 5.5672 5.5787 6.0862 6.0927 7.0759 7.0769 8.0205 8.0240 8.6205 8.6254 9.7924 9.7939 k = 0.6182 0.0926-1.3331 ( 4728 PWs) bands (ev): -8.3356 -8.3354 -7.9551 -7.9543 -6.8602 -6.8601 -4.8946 -4.8930 -1.3847 -1.3788 -0.6241 -0.6207 -0.1032 -0.0876 0.3209 0.3340 0.4862 0.5073 0.6234 0.6557 0.7517 0.8121 0.8822 0.9031 1.7076 1.7093 1.8405 1.8456 2.2364 2.2599 2.3940 2.3950 2.8160 2.8317 3.8501 3.8571 4.0573 4.0582 5.5784 5.5905 6.1118 6.1186 7.1194 7.1205 8.0572 8.0608 8.6606 8.6661 9.8123 9.8145 k = 0.6149 0.0921-1.2948 ( 4724 PWs) bands (ev): -8.3736 -8.3734 -7.9866 -7.9859 -6.8713 -6.8712 -4.9183 -4.9166 -1.3350 -1.3287 -0.5662 -0.5630 -0.0679 -0.0505 0.3236 0.3353 0.4850 0.4956 0.6256 0.6623 0.7628 0.8044 0.8780 0.8969 1.7294 1.7313 1.8486 1.8525 2.2565 2.2785 2.4182 2.4191 2.8398 2.8556 3.9114 3.9196 4.0720 4.0729 5.5888 5.6014 6.1388 6.1459 7.1657 7.1669 8.0961 8.0998 8.7027 8.7087 9.8337 9.8364 k = 0.6116 0.0916-1.2566 ( 4725 PWs) bands (ev): -8.4122 -8.4120 -8.0190 -8.0183 -6.8834 -6.8832 -4.9428 -4.9411 -1.2873 -1.2806 -0.5075 -0.5048 -0.0268 -0.0078 0.3263 0.3367 0.4846 0.4846 0.6285 0.6691 0.7742 0.7968 0.8746 0.8909 1.7522 1.7545 1.8560 1.8593 2.2775 2.2973 2.4436 2.4447 2.8654 2.8812 3.9782 3.9876 4.0872 4.0881 5.5983 5.6113 6.1672 6.1746 7.2148 7.2161 8.1368 8.1407 8.7463 8.7530 9.8565 9.8597 k = 0.6083 0.0911-1.2183 ( 4727 PWs) bands (ev): -8.4513 -8.4511 -8.0521 -8.0514 -6.8962 -6.8961 -4.9680 -4.9662 -1.2425 -1.2356 -0.4479 -0.4459 0.0199 0.0402 0.3292 0.3383 0.4750 0.4854 0.6319 0.6763 0.7859 0.7896 0.8719 0.8852 1.7760 1.7787 1.8626 1.8657 2.3001 2.3173 2.4704 2.4715 2.8927 2.9082 4.0500 4.0607 4.1033 4.1041 5.6067 5.6202 6.1970 6.2046 7.2666 7.2680 8.1794 8.1834 8.7914 8.7986 9.8806 9.8844 k = 0.6051 0.0906-1.1801 ( 4735 PWs) bands (ev): -8.4906 -8.4904 -8.0857 -8.0850 -6.9099 -6.9097 -4.9937 -4.9919 -1.2016 -1.1946 -0.3873 -0.3862 0.0714 0.0927 0.3329 0.3404 0.4675 0.4876 0.6359 0.6838 0.7830 0.7979 0.8699 0.8798 1.8003 1.8038 1.8683 1.8714 2.3254 2.3394 2.4985 2.4996 2.9211 2.9363 4.1153 4.1186 4.1312 4.1407 5.6140 5.6279 6.2279 6.2358 7.3209 7.3224 8.2234 8.2276 8.8376 8.8454 9.9060 9.9103 k = 0.6018 0.0901-1.1418 ( 4738 PWs) bands (ev): -8.5301 -8.5299 -8.1197 -8.1190 -6.9242 -6.9240 -5.0199 -5.0180 -1.1654 -1.1585 -0.3254 -0.3252 0.1257 0.1475 0.3380 0.3433 0.4634 0.4916 0.6404 0.6919 0.7772 0.8103 0.8687 0.8750 1.8246 1.8296 1.8736 1.8763 2.3541 2.3647 2.5277 2.5289 2.9503 2.9651 4.1344 4.1358 4.2106 4.2231 5.6202 5.6345 6.2601 6.2681 7.3776 7.3793 8.2688 8.2731 8.8845 8.8929 9.9325 9.9374 k = 0.5985 0.0896-1.1036 ( 4738 PWs) bands (ev): -8.5695 -8.5693 -8.1538 -8.1532 -6.9391 -6.9389 -5.0463 -5.0445 -1.1344 -1.1277 -0.2627 -0.2619 0.1790 0.2010 0.3465 0.3478 0.4649 0.4985 0.6457 0.7006 0.7725 0.8229 0.8687 0.8711 1.8461 1.8551 1.8811 1.8813 2.3869 2.3939 2.5581 2.5594 2.9799 2.9944 4.1513 4.1526 4.2968 4.3106 5.6253 5.6400 6.2932 6.3014 7.4367 7.4385 8.3150 8.3195 8.9319 8.9410 9.9599 9.9653 k = 0.5952 0.0891-1.0653 ( 4738 PWs) bands (ev): -8.6087 -8.6085 -8.1881 -8.1874 -6.9546 -6.9544 -5.0730 -5.0712 -1.1089 -1.1026 -0.1985 -0.1970 0.2252 0.2472 0.3543 0.3609 0.4761 0.5101 0.6521 0.7102 0.7690 0.8350 0.8693 0.8702 1.8591 1.8733 1.8934 1.8969 2.4240 2.4275 2.5896 2.5911 3.0099 3.0239 4.1682 4.1694 4.3872 4.4022 5.6293 5.6445 6.3273 6.3356 7.4978 7.4998 8.3618 8.3665 8.9795 8.9892 9.9878 9.9936 k = 0.5919 0.0887-1.0271 ( 4742 PWs) bands (ev): -8.6476 -8.6474 -8.2222 -8.2216 -6.9705 -6.9703 -5.0999 -5.0980 -1.0887 -1.0830 -0.1333 -0.1313 0.2578 0.2802 0.3618 0.3830 0.5019 0.5295 0.6609 0.7213 0.7670 0.8434 0.8738 0.8741 1.8640 1.8786 1.9185 1.9212 2.4654 2.4656 2.6221 2.6238 3.0399 3.0536 4.1851 4.1863 4.4814 4.4975 5.6324 5.6481 6.3623 6.3706 7.5609 7.5631 8.4088 8.4136 9.0270 9.0372 10.0154 10.0217 k = 0.5886 0.0882-0.9888 ( 4744 PWs) bands (ev): -8.6860 -8.6859 -8.2562 -8.2556 -6.9867 -6.9865 -5.1267 -5.1248 -1.0738 -1.0687 -0.0680 -0.0659 0.2763 0.2997 0.3683 0.4078 0.5409 0.5595 0.6745 0.7342 0.7669 0.8452 0.8817 0.8882 1.8664 1.8812 1.9473 1.9491 2.5078 2.5108 2.6555 2.6575 3.0701 3.0834 4.2020 4.2032 4.5788 4.5960 5.6346 5.6508 6.3979 6.4064 7.6256 7.6280 8.4554 8.4603 9.0739 9.0847 10.0419 10.0487 k = 0.5854 0.0877-0.9506 ( 4746 PWs) bands (ev): -8.7238 -8.7237 -8.2898 -8.2892 -7.0033 -7.0031 -5.1534 -5.1515 -1.0635 -1.0591 -0.0041 -0.0025 0.2858 0.3108 0.3736 0.4282 0.5818 0.5986 0.6985 0.7493 0.7702 0.8438 0.8949 0.9104 1.8694 1.8845 1.9773 1.9786 2.5537 2.5595 2.6899 2.6922 3.1007 3.1136 4.2187 4.2199 4.6789 4.6971 5.6362 5.6531 6.4343 6.4427 7.6917 7.6943 8.5010 8.5061 9.1200 9.1314 10.0660 10.0731 k = 0.5821 0.0872-0.9123 ( 4751 PWs) bands (ev): -8.7610 -8.7609 -8.3230 -8.3224 -7.0200 -7.0198 -5.1799 -5.1780 -1.0574 -1.0537 0.0565 0.0566 0.2909 0.3174 0.3795 0.4430 0.6119 0.6386 0.7386 0.7620 0.7838 0.8424 0.9157 0.9390 1.8751 1.8903 2.0080 2.0090 2.6023 2.6108 2.7250 2.7277 3.1319 3.1446 4.2352 4.2363 4.7810 4.8003 5.6375 5.6551 6.4711 6.4795 7.7588 7.7617 8.5449 8.5503 9.1651 9.1769 10.0857 10.0932 k = 0.5788 0.0867-0.8741 ( 4755 PWs) bands (ev): -8.7974 -8.7973 -8.3556 -8.3551 -7.0368 -7.0366 -5.2061 -5.2043 -1.0549 -1.0518 0.1087 0.1117 0.2938 0.3210 0.3885 0.4543 0.6301 0.6708 0.7679 0.7883 0.8154 0.8454 0.9457 0.9734 1.8854 1.9004 2.0392 2.0400 2.6527 2.6635 2.7609 2.7641 3.1644 3.1767 4.2513 4.2525 4.8843 4.9047 5.6390 5.6574 6.5083 6.5167 7.8265 7.8296 8.5866 8.5921 9.2087 9.2210 10.0987 10.1064 k = 0.5755 0.0862-0.8358 ( 4756 PWs) bands (ev): -8.8329 -8.8328 -8.3876 -8.3871 -7.0536 -7.0534 -5.2319 -5.2301 -1.0554 -1.0530 0.1516 0.1596 0.2955 0.3224 0.4018 0.4635 0.6421 0.6922 0.7715 0.8177 0.8607 0.8757 0.9841 1.0131 1.9021 1.9167 2.0708 2.0715 2.7036 2.7166 2.7974 2.8012 3.1988 3.2108 4.2671 4.2682 4.9876 5.0092 5.6415 5.6608 6.5457 6.5541 7.8942 7.8976 8.6251 8.6308 9.2506 9.2634 10.1020 10.1101 k = 0.5722 0.0857-0.7976 ( 4762 PWs) bands (ev): -8.8674 -8.8673 -8.4188 -8.4183 -7.0704 -7.0702 -5.2572 -5.2554 -1.0585 -1.0566 0.1844 0.1989 0.2968 0.3220 0.4189 0.4716 0.6516 0.7056 0.7741 0.8209 0.9160 0.9359 1.0280 1.0561 1.9272 1.9412 2.1026 2.1032 2.7538 2.7688 2.8344 2.8390 3.2360 3.2475 4.2823 4.2834 5.0892 5.1120 5.6462 5.6667 6.5833 6.5915 7.9612 7.9650 8.6596 8.6656 9.2905 9.3037 10.0929 10.1012 k = 0.5689 0.0852-0.7593 ( 4756 PWs) bands (ev): -8.9009 -8.9008 -8.4492 -8.4487 -7.0870 -7.0867 -5.2819 -5.2802 -1.0636 -1.0622 0.2080 0.2294 0.2980 0.3203 0.4378 0.4786 0.6603 0.7146 0.7757 0.8192 0.9780 1.0031 1.0746 1.1005 1.9624 1.9754 2.1346 2.1351 2.8020 2.8185 2.8718 2.8772 3.2769 3.2879 4.2969 4.2980 5.1864 5.2104 5.6559 5.6775 6.6208 6.6290 8.0265 8.0308 8.6896 8.6957 9.3278 9.3413 10.0691 10.0777 k = 0.5657 0.0847-0.7211 ( 4758 PWs) bands (ev): -8.9332 -8.9332 -8.4787 -8.4782 -7.1033 -7.1031 -5.3060 -5.3044 -1.0704 -1.0694 0.2243 0.2515 0.2997 0.3180 0.4559 0.4846 0.6686 0.7212 0.7767 0.8166 1.0404 1.0695 1.1251 1.1479 2.0087 2.0208 2.1665 2.1670 2.8470 2.8647 2.9095 2.9155 3.3225 3.3327 4.3108 4.3118 5.2748 5.2993 5.6751 5.6971 6.6582 6.6662 8.0890 8.0939 8.7145 8.7207 9.3616 9.3755 10.0308 10.0398 k = 0.5624 0.0842-0.6828 ( 4762 PWs) bands (ev): -8.9644 -8.9643 -8.5071 -8.5067 -7.1193 -7.1191 -5.3294 -5.3278 -1.0784 -1.0779 0.2358 0.2660 0.3021 0.3152 0.4715 0.4895 0.6768 0.7266 0.7771 0.8138 1.0911 1.1226 1.1881 1.2081 2.0663 2.0774 2.1983 2.1988 2.8883 2.9062 2.9473 2.9536 3.3732 3.3825 4.3238 4.3249 5.3482 5.3711 5.7110 5.7315 6.6953 6.7030 8.1468 8.1524 8.7343 8.7405 9.3909 9.4050 9.9806 9.9901 k = 0.5591 0.0837-0.6446 ( 4763 PWs) bands (ev): -8.9943 -8.9943 -8.5345 -8.5341 -7.1350 -7.1348 -5.3520 -5.3504 -1.0874 -1.0872 0.2439 0.2745 0.3055 0.3122 0.4840 0.4934 0.6847 0.7311 0.7772 0.8109 1.1240 1.1554 1.2675 1.2864 2.1346 2.1448 2.2300 2.2304 2.9252 2.9427 2.9850 2.9911 3.4293 3.4375 4.3361 4.3371 5.4009 5.4195 5.7695 5.7859 6.7319 6.7394 8.1976 8.2042 8.7495 8.7555 9.4137 9.4278 9.9231 9.9331 k = 0.5558 0.0832-0.6063 ( 4754 PWs) bands (ev): -9.0229 -9.0228 -8.5608 -8.5604 -7.1501 -7.1499 -5.3737 -5.3722 -1.0971 -1.0971 0.2499 0.2788 0.3091 0.3092 0.4935 0.4963 0.6926 0.7352 0.7771 0.8080 1.1438 1.1746 1.3575 1.3756 2.2116 2.2208 2.2620 2.2620 2.9577 2.9741 3.0226 3.0279 3.4905 3.4974 4.3473 4.3483 5.4322 5.4454 5.8494 5.8604 6.7678 6.7751 8.2386 8.2462 8.7615 8.7671 9.4274 9.4411 9.8645 9.8748 k = 0.5525 0.0828-0.5681 ( 4753 PWs) bands (ev): -9.0501 -9.0501 -8.5858 -8.5855 -7.1648 -7.1646 -5.3945 -5.3931 -1.1074 -1.1072 0.2544 0.2808 0.3062 0.3122 0.4984 0.5004 0.7000 0.7390 0.7770 0.8052 1.1549 1.1850 1.4530 1.4702 2.2858 2.2869 2.3032 2.3108 2.9857 3.0007 3.0597 3.0642 3.5559 3.5617 4.3576 4.3586 5.4470 5.4554 5.9434 5.9499 6.8030 6.8100 8.2662 8.2750 8.7719 8.7768 9.4295 9.4421 9.8105 9.8205 k = 0.5492 0.0823-0.5298 ( 4753 PWs) bands (ev): -9.0759 -9.0759 -8.6096 -8.6093 -7.1789 -7.1787 -5.4143 -5.4130 -1.1179 -1.1175 0.2580 0.2815 0.3033 0.3143 0.4999 0.5052 0.7071 0.7425 0.7768 0.8025 1.1600 1.1893 1.5515 1.5678 2.3192 2.3198 2.3894 2.3983 3.0094 3.0231 3.0964 3.1000 3.6246 3.6293 4.3669 4.3678 5.4509 5.4558 6.0450 6.0482 6.8372 6.8439 8.2775 8.2875 8.7819 8.7860 9.4191 9.4294 9.7646 9.7734 k = 0.5460 0.0818-0.4916 ( 4757 PWs) bands (ev): -9.1002 -9.1002 -8.6321 -8.6318 -7.1923 -7.1921 -5.4331 -5.4318 -1.1283 -1.1278 0.2610 0.2815 0.3005 0.3154 0.5008 0.5084 0.7138 0.7458 0.7767 0.8000 1.1606 1.1891 1.6513 1.6667 2.3484 2.3491 2.4830 2.4918 3.0295 3.0420 3.1325 3.1352 3.6956 3.6993 4.3751 4.3759 5.4478 5.4502 6.1499 6.1508 6.8702 6.8767 8.2711 8.2821 8.7906 8.7941 9.3991 9.4065 9.7259 9.7328 k = 0.5427 0.0813-0.4533 ( 4763 PWs) bands (ev): -9.1230 -9.1230 -8.6532 -8.6529 -7.2050 -7.2048 -5.4508 -5.4496 -1.1386 -1.1381 0.2635 0.2813 0.2979 0.3157 0.5014 0.5104 0.7202 0.7489 0.7767 0.7976 1.1581 1.1857 1.7510 1.7655 2.3763 2.3770 2.5787 2.5873 3.0464 3.0581 3.1677 3.1698 3.7678 3.7707 4.3822 4.3830 5.4399 5.4406 6.2550 6.2556 6.9020 6.9081 8.2479 8.2594 8.7949 8.7980 9.3768 9.3808 9.6896 9.6946 k = 0.5394 0.0808-0.4151 ( 4767 PWs) bands (ev): -9.1443 -9.1443 -8.6729 -8.6727 -7.2170 -7.2168 -5.4674 -5.4663 -1.1486 -1.1480 0.2657 0.2808 0.2954 0.3153 0.5018 0.5115 0.7261 0.7517 0.7768 0.7953 1.1535 1.1800 1.8494 1.8632 2.4029 2.4036 2.6744 2.6832 3.0608 3.0720 3.2018 3.2034 3.8402 3.8425 4.3883 4.3890 5.4280 5.4287 6.3587 6.3603 6.9324 6.9381 8.2105 8.2222 8.7899 8.7927 9.3599 9.3607 9.6518 9.6547 k = 0.5361 0.0803-0.3769 ( 4767 PWs) bands (ev): -9.1640 -9.1640 -8.6912 -8.6910 -7.2282 -7.2280 -5.4828 -5.4817 -1.1582 -1.1575 0.2676 0.2802 0.2932 0.3144 0.5019 0.5119 0.7317 0.7542 0.7771 0.7931 1.1475 1.1728 1.9456 1.9586 2.4281 2.4289 2.7685 2.7775 3.0735 3.0845 3.2346 3.2359 3.9118 3.9136 4.3934 4.3941 5.4133 5.4149 6.4604 6.4626 6.9611 6.9664 8.1625 8.1740 8.7719 8.7747 9.3504 9.3531 9.6120 9.6126 k = 0.5328 0.0798-0.3386 ( 4771 PWs) bands (ev): -9.1821 -9.1820 -8.7080 -8.7078 -7.2385 -7.2384 -5.4969 -5.4960 -1.1672 -1.1666 0.2694 0.2795 0.2913 0.3131 0.5020 0.5118 0.7369 0.7565 0.7775 0.7912 1.1408 1.1647 2.0383 2.0506 2.4519 2.4527 2.8587 2.8682 3.0856 3.0967 3.2659 3.2669 3.9819 3.9832 4.3976 4.3982 5.3969 5.3991 6.5589 6.5614 6.9881 6.9930 8.1075 8.1185 8.7409 8.7435 9.3475 9.3539 9.5722 9.5746 k = 0.5295 0.0793-0.3004 ( 4783 PWs) bands (ev): -9.1985 -9.1985 -8.7233 -8.7231 -7.2480 -7.2478 -5.5099 -5.5090 -1.1756 -1.1750 0.2709 0.2788 0.2896 0.3115 0.5020 0.5114 0.7418 0.7585 0.7780 0.7893 1.1338 1.1561 2.1267 2.1382 2.4740 2.4749 2.9418 2.9521 3.0992 3.1109 3.2955 3.2963 4.0493 4.0504 4.4009 4.4014 5.3792 5.3818 6.6530 6.6556 7.0131 7.0176 8.0487 8.0590 8.6997 8.7022 9.3419 9.3519 9.5433 9.5491 k = 0.5263 0.0788-0.2621 ( 4780 PWs) bands (ev): -9.2133 -9.2133 -8.7371 -8.7369 -7.2565 -7.2564 -5.5215 -5.5207 -1.1833 -1.1828 0.2724 0.2782 0.2882 0.3097 0.5020 0.5107 0.7462 0.7602 0.7787 0.7877 1.1269 1.1474 2.2096 2.2204 2.4944 2.4955 3.0111 3.0215 3.1211 3.1325 3.3232 3.3238 4.1133 4.1142 4.4036 4.4040 5.3605 5.3635 6.7415 6.7441 7.0362 7.0402 7.9890 7.9985 8.6528 8.6550 9.3218 9.3336 9.5378 9.5454 k = 0.5230 0.0783-0.2239 ( 4788 PWs) bands (ev): -9.2264 -9.2263 -8.7493 -8.7491 -7.2642 -7.2641 -5.5318 -5.5311 -1.1903 -1.1897 0.2735 0.2775 0.2872 0.3077 0.5021 0.5099 0.7503 0.7617 0.7794 0.7862 1.1204 1.1389 2.2858 2.2959 2.5131 2.5143 3.0560 3.0625 3.1638 3.1713 3.3488 3.3492 4.1729 4.1737 4.4058 4.4061 5.3414 5.3445 6.8232 6.8257 7.0572 7.0607 7.9309 7.9394 8.6040 8.6059 9.2868 9.2978 9.5553 9.5625 k = 0.5197 0.0778-0.1856 ( 4784 PWs) bands (ev): -9.2377 -9.2377 -8.7599 -8.7598 -7.2708 -7.2707 -5.5408 -5.5402 -1.1964 -1.1959 0.2745 0.2769 0.2868 0.3056 0.5021 0.5091 0.7540 0.7629 0.7801 0.7850 1.1145 1.1309 2.3543 2.3635 2.5302 2.5314 3.0775 3.0798 3.2214 3.2246 3.3722 3.3724 4.2270 4.2277 4.4078 4.4081 5.3224 5.3254 6.8969 6.8992 7.0760 7.0790 7.8764 7.8838 8.5566 8.5582 9.2448 9.2543 9.5850 9.5910 k = 0.5164 0.0773-0.1474 ( 4780 PWs) bands (ev): -9.2474 -9.2474 -8.7689 -8.7688 -7.2765 -7.2764 -5.5485 -5.5480 -1.2017 -1.2012 0.2751 0.2764 0.2868 0.3035 0.5023 0.5082 0.7572 0.7638 0.7808 0.7839 1.1095 1.1235 2.4138 2.4220 2.5457 2.5470 3.0880 3.0882 3.2779 3.2789 3.3934 3.3935 4.2743 4.2750 4.4101 4.4103 5.3042 5.3070 6.9613 6.9633 7.0929 7.0953 7.8273 7.8337 8.5130 8.5144 9.2028 9.2105 9.6183 9.6232 k = 0.5131 0.0769-0.1091 ( 4778 PWs) bands (ev): -9.2553 -9.2553 -8.7763 -8.7762 -7.2812 -7.2811 -5.5547 -5.5543 -1.2060 -1.2057 0.2754 0.2760 0.2874 0.3014 0.5025 0.5073 0.7599 0.7646 0.7813 0.7831 1.1055 1.1170 2.4627 2.4697 2.5601 2.5614 3.0932 3.0938 3.3263 3.3263 3.4127 3.4127 4.3134 4.3141 4.4134 4.4135 5.2874 5.2900 7.0148 7.0164 7.1081 7.1099 7.7852 7.7904 8.4751 8.4762 9.1648 9.1709 9.6503 9.6542 k = 0.5098 0.0764-0.0709 ( 4772 PWs) bands (ev): -9.2615 -9.2615 -8.7821 -8.7820 -7.2848 -7.2848 -5.5596 -5.5593 -1.2094 -1.2091 0.2754 0.2757 0.2884 0.2992 0.5028 0.5064 0.7621 0.7652 0.7818 0.7826 1.1027 1.1114 2.4996 2.5051 2.5741 2.5750 3.0964 3.0972 3.3630 3.3633 3.4303 3.4304 4.3426 4.3433 4.4184 4.4184 5.2732 5.2752 7.0558 7.0567 7.1221 7.1232 7.7512 7.7552 8.4443 8.4451 9.1334 9.1379 9.6778 9.6809 k = 0.5066 0.0759-0.0326 ( 4764 PWs) bands (ev): -9.2659 -9.2659 -8.7862 -8.7861 -7.2874 -7.2874 -5.5631 -5.5629 -1.2118 -1.2116 0.2754 0.2755 0.2898 0.2972 0.5032 0.5056 0.7638 0.7655 0.7820 0.7822 1.1010 1.1069 2.5241 2.5276 2.5872 2.5877 3.0985 3.0992 3.3874 3.3877 3.4460 3.4460 4.3611 4.3615 4.4252 4.4252 5.2622 5.2637 7.0828 7.0831 7.1354 7.1358 7.7265 7.7292 8.4216 8.4221 9.1101 9.1131 9.6982 9.7003 k = 0.5033 0.0754 0.0056 ( 4756 PWs) bands (ev): -9.2685 -9.2685 -8.7886 -8.7886 -7.2890 -7.2890 -5.5651 -5.5650 -1.2133 -1.2132 0.2753 0.2754 0.2915 0.2952 0.5037 0.5049 0.7649 0.7657 0.7821 0.7821 1.1006 1.1036 2.5374 2.5390 2.5972 2.5972 3.0997 3.1001 3.4006 3.4008 3.4572 3.4573 4.3702 4.3705 4.4316 4.4316 5.2555 5.2562 7.0968 7.0969 7.1458 7.1459 7.7116 7.7130 8.4078 8.4080 9.0960 9.0976 9.7085 9.7096 k = 0.5000 0.0749 0.0439 ( 4752 PWs) bands (ev): -9.2694 -9.2694 -8.7895 -8.7895 -7.2895 -7.2895 -5.5658 -5.5658 -1.2137 -1.2137 0.2753 0.2753 0.2933 0.2933 0.5043 0.5043 0.7655 0.7655 0.7821 0.7821 1.1014 1.1014 2.5419 2.5419 2.6008 2.6008 3.1003 3.1003 3.4048 3.4048 3.4614 3.4614 4.3730 4.3730 4.4342 4.4342 5.2534 5.2534 7.1010 7.1010 7.1498 7.1498 7.7071 7.7071 8.4032 8.4032 9.0918 9.0918 9.7106 9.7106 k = 0.5000-1.6318-0.9562 ( 4770 PWs) bands (ev): -7.9992 -7.9992 -7.6930 -7.6930 -6.7935 -6.7935 -4.7029 -4.7029 -1.8644 -1.8644 -1.1349 -1.1349 -0.2674 -0.2674 0.2946 0.2946 0.5409 0.5409 0.6196 0.6196 0.8386 0.8386 1.0439 1.0439 1.5470 1.5470 1.6793 1.6793 2.1169 2.1169 2.2120 2.2120 2.3853 2.3853 3.7214 3.7214 3.9484 3.9484 5.5174 5.5174 5.9037 5.9037 6.6556 6.6556 7.7891 7.7891 8.3100 8.3100 9.4767 9.4767 k = 0.5365-1.6235-0.9513 ( 4761 PWs) bands (ev): -7.9992 -7.9992 -7.6930 -7.6930 -6.7935 -6.7935 -4.7029 -4.7029 -1.8644 -1.8643 -1.1348 -1.1348 -0.2675 -0.2675 0.2942 0.2952 0.5407 0.5412 0.6182 0.6205 0.8375 0.8391 1.0433 1.0435 1.5469 1.5470 1.6780 1.6795 2.1132 2.1177 2.2121 2.2122 2.3890 2.3921 3.7182 3.7184 3.9483 3.9483 5.5159 5.5160 5.9038 5.9039 6.6577 6.6578 7.7886 7.7890 8.3103 8.3107 9.4795 9.4802 k = 0.5730-1.6152-0.9465 ( 4753 PWs) bands (ev): -7.9993 -7.9993 -7.6930 -7.6930 -6.7935 -6.7935 -4.7029 -4.7029 -1.8642 -1.8641 -1.1345 -1.1345 -0.2677 -0.2676 0.2940 0.2958 0.5406 0.5415 0.6163 0.6209 0.8359 0.8391 1.0419 1.0421 1.5467 1.5470 1.6759 1.6788 2.1076 2.1159 2.2125 2.2127 2.4029 2.4084 3.7089 3.7092 3.9480 3.9481 5.5118 5.5119 5.9041 5.9042 6.6641 6.6642 7.7874 7.7882 8.3114 8.3122 9.4886 9.4899 k = 0.6094-1.6068-0.9416 ( 4749 PWs) bands (ev): -7.9994 -7.9994 -7.6930 -7.6930 -6.7935 -6.7935 -4.7030 -4.7029 -1.8639 -1.8638 -1.1340 -1.1340 -0.2679 -0.2678 0.2940 0.2966 0.5405 0.5418 0.6142 0.6206 0.8339 0.8383 1.0397 1.0399 1.5465 1.5469 1.6729 1.6771 2.1015 2.1123 2.2131 2.2133 2.4257 2.4327 3.6938 3.6943 3.9475 3.9476 5.5051 5.5054 5.9047 5.9049 6.6743 6.6745 7.7857 7.7868 8.3134 8.3145 9.5034 9.5054 k = 0.6459-1.5985-0.9367 ( 4752 PWs) bands (ev): -7.9995 -7.9995 -7.6931 -7.6930 -6.7935 -6.7935 -4.7030 -4.7030 -1.8636 -1.8634 -1.1334 -1.1333 -0.2683 -0.2681 0.2941 0.2975 0.5406 0.5421 0.6118 0.6197 0.8317 0.8368 1.0368 1.0369 1.5462 1.5468 1.6691 1.6745 2.0961 2.1083 2.2138 2.2141 2.4554 2.4631 3.6734 3.6740 3.9469 3.9470 5.4964 5.4967 5.9055 5.9057 6.6877 6.6880 7.7834 7.7848 8.3161 8.3174 9.5235 9.5259 k = 0.6824-1.5902-0.9318 ( 4750 PWs) bands (ev): -7.9996 -7.9996 -7.6931 -7.6931 -6.7936 -6.7936 -4.7031 -4.7030 -1.8631 -1.8630 -1.1326 -1.1325 -0.2686 -0.2684 0.2943 0.2983 0.5408 0.5423 0.6094 0.6182 0.8295 0.8347 1.0335 1.0336 1.5460 1.5466 1.6648 1.6710 2.0922 2.1047 2.2145 2.2149 2.4903 2.4980 3.6485 3.6491 3.9462 3.9463 5.4861 5.4866 5.9064 5.9066 6.7036 6.7039 7.7809 7.7825 8.3192 8.3208 9.5478 9.5508 k = 0.7189-1.5819-0.9270 ( 4743 PWs) bands (ev): -7.9998 -7.9998 -7.6932 -7.6931 -6.7936 -6.7936 -4.7032 -4.7031 -1.8626 -1.8624 -1.1317 -1.1316 -0.2690 -0.2687 0.2947 0.2991 0.5410 0.5424 0.6072 0.6162 0.8274 0.8320 1.0298 1.0303 1.5457 1.5463 1.6601 1.6669 2.0900 2.1021 2.2154 2.2157 2.5285 2.5358 3.6199 3.6206 3.9454 3.9455 5.4749 5.4754 5.9074 5.9077 6.7211 6.7214 7.7781 7.7799 8.3227 8.3244 9.5755 9.5787 k = 0.7554-1.5736-0.9221 ( 4732 PWs) bands (ev): -8.0000 -8.0000 -7.6933 -7.6932 -6.7937 -6.7937 -4.7033 -4.7032 -1.8620 -1.8618 -1.1307 -1.1306 -0.2693 -0.2690 0.2951 0.2999 0.5414 0.5423 0.6051 0.6138 0.8256 0.8288 1.0260 1.0270 1.5454 1.5461 1.6553 1.6626 2.0893 2.1004 2.2162 2.2165 2.5685 2.5753 3.5887 3.5894 3.9446 3.9447 5.4634 5.4640 5.9085 5.9088 6.7391 6.7394 7.7754 7.7772 8.3263 8.3280 9.6050 9.6084 k = 0.7918-1.5652-0.9172 ( 4737 PWs) bands (ev): -8.0003 -8.0002 -7.6933 -7.6933 -6.7938 -6.7938 -4.7034 -4.7033 -1.8614 -1.8612 -1.1297 -1.1296 -0.2696 -0.2693 0.2956 0.3004 0.5418 0.5420 0.6034 0.6112 0.8243 0.8252 1.0224 1.0239 1.5452 1.5458 1.6506 1.6584 2.0899 2.0995 2.2170 2.2173 2.6089 2.6148 3.5564 3.5570 3.9439 3.9440 5.4522 5.4529 5.9095 5.9099 6.7567 6.7570 7.7727 7.7745 8.3298 8.3314 9.6351 9.6385 k = 0.8283-1.5569-0.9123 ( 4737 PWs) bands (ev): -8.0005 -8.0005 -7.6935 -7.6934 -6.7938 -6.7938 -4.7035 -4.7034 -1.8608 -1.8605 -1.1287 -1.1286 -0.2698 -0.2696 0.2960 0.3009 0.5414 0.5423 0.6022 0.6084 0.8213 0.8234 1.0191 1.0212 1.5450 1.5456 1.6464 1.6545 2.0912 2.0991 2.2178 2.2180 2.6478 2.6530 3.5244 3.5250 3.9431 3.9432 5.4418 5.4427 5.9106 5.9110 6.7730 6.7733 7.7704 7.7720 8.3330 8.3344 9.6642 9.6674 Writing output data file Al2ZnS4.save init_run : 5.42s CPU 12.97s WALL ( 1 calls) electrons : 2602.62s CPU 2620.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.64s CPU 1.80s WALL ( 1 calls) Called by electrons: c_bands : 2602.59s CPU 2620.45s WALL ( 1 calls) v_of_rho : 0.27s CPU 1.06s WALL ( 1 calls) v_h : 0.07s CPU 0.07s WALL ( 1 calls) v_xc : 0.20s CPU 0.66s WALL ( 1 calls) newd : 0.54s CPU 0.86s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 313 calls) cegterg : 2428.14s CPU 2443.02s WALL ( 819 calls) Called by sum_band: Called by *egterg: h_psi : 2175.24s CPU 2194.90s WALL ( 14862 calls) s_psi : 57.35s CPU 57.77s WALL ( 14862 calls) g_psi : 0.69s CPU 0.74s WALL ( 13730 calls) cdiaghg : 242.14s CPU 239.19s WALL ( 14043 calls) cegterg:over : 52.97s CPU 50.28s WALL ( 13730 calls) cegterg:upda : 10.56s CPU 14.28s WALL ( 13730 calls) cegterg:last : 9.64s CPU 10.44s WALL ( 2065 calls) Called by h_psi: h_psi:vloc : 2065.77s CPU 2083.30s WALL ( 14862 calls) h_psi:vnl : 109.08s CPU 110.66s WALL ( 14862 calls) add_vuspsi : 41.94s CPU 47.01s WALL ( 14862 calls) General routines calbec : 67.06s CPU 63.51s WALL ( 14862 calls) fft : 0.49s CPU 1.37s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 1682.87s CPU 1686.97s WALL ( 1190816 calls) interpolate : 0.13s CPU 0.13s WALL ( 4 calls) davcio : 0.02s CPU 1.08s WALL ( 626 calls) Parallel routines fft_scatter : 686.98s CPU 691.25s WALL ( 1190839 calls) PWSCF : 44m18.88s CPU 45m45.02s WALL This run was terminated on: 9:45:38 26Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=