Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:48:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrTiAs.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 100 100 28 1933 1933 294 Max 101 101 29 1935 1935 297 Sum 3611 3611 1037 69615 69615 10643 bravais-lattice index = 14 lattice parameter (alat) = 14.8758 a.u. unit-cell volume = 718.4670 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.875813 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.883928 celldm(5)= -0.883928 celldm(6)= 0.767857 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.767857 0.640622 0.000000 ) a(3) = ( -0.883928 -0.320311 0.340693 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.198612 1.467597 ) b(2) = ( 0.000000 1.560984 1.467597 ) b(3) = ( 0.000000 0.000000 2.935195 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) As 5.00 74.92160 As( 1.00) Ti 12.00 47.86700 Ti( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0248745), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0497491), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0746236), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0994981), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.1243727), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.1492472), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.1741217), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.1989963), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.2238708), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.2487453), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.2736199), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.2984944), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.3233689), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.3482435), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.3731180), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.3979925), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.4228671), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.4477416), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.4726161), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.4974907), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.5223652), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.5472397), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.5721142), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.5969888), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.6218633), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.6467378), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.6716124), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.6964869), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.7213614), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.7462360), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.7711105), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.7959850), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.8208596), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.8457341), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.8706086), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.8954832), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.9203577), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.9452322), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.9701067), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.9949813), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 1.0198558), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 1.0447303), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 1.0696049), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 1.0944794), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 1.1193539), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 1.1442285), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 1.1691030), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 1.1939775), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 1.2188521), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 1.2437266), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 1.2686011), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 1.2934757), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 1.3183502), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 1.3432247), wk = 0.0028571 k( 56) = ( 0.0000000 0.0000000 1.3680993), wk = 0.0028571 k( 57) = ( 0.0000000 0.0000000 1.3929738), wk = 0.0028571 k( 58) = ( 0.0000000 0.0000000 1.4178483), wk = 0.0028571 k( 59) = ( 0.0000000 0.0000000 1.4427229), wk = 0.0028571 k( 60) = ( 0.0000000 0.0000000 1.4675974), wk = 0.0028571 k( 61) = ( 0.0000000 0.0000000 1.4675974), wk = 0.0028571 k( 62) = ( -0.0082071 0.0226483 1.4675974), wk = 0.0028571 k( 63) = ( -0.0164142 0.0452965 1.4675974), wk = 0.0028571 k( 64) = ( -0.0246213 0.0679447 1.4675974), wk = 0.0028571 k( 65) = ( -0.0328283 0.0905930 1.4675974), wk = 0.0028571 k( 66) = ( -0.0328283 0.0905930 1.4675974), wk = 0.0028571 k( 67) = ( -0.0388177 0.1071212 1.4500174), wk = 0.0028571 k( 68) = ( -0.0448071 0.1236495 1.4324374), wk = 0.0028571 k( 69) = ( -0.0507965 0.1401778 1.4148574), wk = 0.0028571 k( 70) = ( -0.0567859 0.1567060 1.3972774), wk = 0.0028571 k( 71) = ( -0.0627753 0.1732343 1.3796974), wk = 0.0028571 k( 72) = ( -0.0687646 0.1897626 1.3621174), wk = 0.0028571 k( 73) = ( -0.0747540 0.2062908 1.3445374), wk = 0.0028571 k( 74) = ( -0.0807434 0.2228191 1.3269574), wk = 0.0028571 k( 75) = ( -0.0867328 0.2393474 1.3093774), wk = 0.0028571 k( 76) = ( -0.0927222 0.2558756 1.2917974), wk = 0.0028571 k( 77) = ( -0.0987115 0.2724039 1.2742174), wk = 0.0028571 k( 78) = ( -0.1047009 0.2889322 1.2566374), wk = 0.0028571 k( 79) = ( -0.1106903 0.3054604 1.2390574), wk = 0.0028571 k( 80) = ( -0.1166797 0.3219887 1.2214774), wk = 0.0028571 k( 81) = ( -0.1226691 0.3385170 1.2038974), wk = 0.0028571 k( 82) = ( -0.1286584 0.3550453 1.1863174), wk = 0.0028571 k( 83) = ( -0.1346478 0.3715735 1.1687374), wk = 0.0028571 k( 84) = ( -0.1406372 0.3881018 1.1511574), wk = 0.0028571 k( 85) = ( -0.1466266 0.4046301 1.1335775), wk = 0.0028571 k( 86) = ( -0.1526160 0.4211583 1.1159975), wk = 0.0028571 k( 87) = ( -0.1586053 0.4376866 1.0984175), wk = 0.0028571 k( 88) = ( -0.1645947 0.4542149 1.0808375), wk = 0.0028571 k( 89) = ( -0.1705841 0.4707431 1.0632575), wk = 0.0028571 k( 90) = ( -0.1765735 0.4872714 1.0456775), wk = 0.0028571 k( 91) = ( -0.1825628 0.5037997 1.0280975), wk = 0.0028571 k( 92) = ( -0.1885522 0.5203280 1.0105175), wk = 0.0028571 k( 93) = ( -0.1945416 0.5368562 0.9929375), wk = 0.0028571 k( 94) = ( -0.2005310 0.5533845 0.9753575), wk = 0.0028571 k( 95) = ( -0.2065204 0.5699128 0.9577775), wk = 0.0028571 k( 96) = ( -0.2125098 0.5864410 0.9401975), wk = 0.0028571 k( 97) = ( -0.2184991 0.6029693 0.9226175), wk = 0.0028571 k( 98) = ( -0.2244885 0.6194976 0.9050375), wk = 0.0028571 k( 99) = ( -0.2304779 0.6360258 0.8874575), wk = 0.0028571 k( 100) = ( -0.2364673 0.6525541 0.8698775), wk = 0.0028571 k( 101) = ( -0.2424567 0.6690824 0.8522975), wk = 0.0028571 k( 102) = ( -0.2484460 0.6856106 0.8347175), wk = 0.0028571 k( 103) = ( -0.2544354 0.7021389 0.8171375), wk = 0.0028571 k( 104) = ( -0.2604248 0.7186672 0.7995575), wk = 0.0028571 k( 105) = ( -0.2664142 0.7351954 0.7819775), wk = 0.0028571 k( 106) = ( -0.2664142 0.7351954 0.7819775), wk = 0.0028571 k( 107) = ( -0.2604939 0.7188577 0.7646002), wk = 0.0028571 k( 108) = ( -0.2545735 0.7025201 0.7472230), wk = 0.0028571 k( 109) = ( -0.2486532 0.6861824 0.7298457), wk = 0.0028571 k( 110) = ( -0.2427329 0.6698447 0.7124684), wk = 0.0028571 k( 111) = ( -0.2368126 0.6535070 0.6950911), wk = 0.0028571 k( 112) = ( -0.2308923 0.6371694 0.6777138), wk = 0.0028571 k( 113) = ( -0.2249720 0.6208317 0.6603366), wk = 0.0028571 k( 114) = ( -0.2190517 0.6044940 0.6429593), wk = 0.0028571 k( 115) = ( -0.2131313 0.5881563 0.6255820), wk = 0.0028571 k( 116) = ( -0.2072110 0.5718187 0.6082047), wk = 0.0028571 k( 117) = ( -0.2012907 0.5554810 0.5908274), wk = 0.0028571 k( 118) = ( -0.1953704 0.5391433 0.5734502), wk = 0.0028571 k( 119) = ( -0.1894501 0.5228056 0.5560729), wk = 0.0028571 k( 120) = ( -0.1835298 0.5064680 0.5386956), wk = 0.0028571 k( 121) = ( -0.1776095 0.4901303 0.5213183), wk = 0.0028571 k( 122) = ( -0.1716891 0.4737926 0.5039411), wk = 0.0028571 k( 123) = ( -0.1657688 0.4574549 0.4865638), wk = 0.0028571 k( 124) = ( -0.1598485 0.4411173 0.4691865), wk = 0.0028571 k( 125) = ( -0.1539282 0.4247796 0.4518092), wk = 0.0028571 k( 126) = ( -0.1480079 0.4084419 0.4344320), wk = 0.0028571 k( 127) = ( -0.1420876 0.3921042 0.4170547), wk = 0.0028571 k( 128) = ( -0.1361672 0.3757666 0.3996774), wk = 0.0028571 k( 129) = ( -0.1302469 0.3594289 0.3823001), wk = 0.0028571 k( 130) = ( -0.1243266 0.3430912 0.3649228), wk = 0.0028571 k( 131) = ( -0.1184063 0.3267535 0.3475456), wk = 0.0028571 k( 132) = ( -0.1124860 0.3104159 0.3301683), wk = 0.0028571 k( 133) = ( -0.1065657 0.2940782 0.3127910), wk = 0.0028571 k( 134) = ( -0.1006454 0.2777405 0.2954137), wk = 0.0028571 k( 135) = ( -0.0947250 0.2614028 0.2780364), wk = 0.0028571 k( 136) = ( -0.0888047 0.2450652 0.2606592), wk = 0.0028571 k( 137) = ( -0.0828844 0.2287275 0.2432819), wk = 0.0028571 k( 138) = ( -0.0769641 0.2123898 0.2259046), wk = 0.0028571 k( 139) = ( -0.0710438 0.1960521 0.2085273), wk = 0.0028571 k( 140) = ( -0.0651235 0.1797144 0.1911501), wk = 0.0028571 k( 141) = ( -0.0592032 0.1633768 0.1737728), wk = 0.0028571 k( 142) = ( -0.0532828 0.1470391 0.1563955), wk = 0.0028571 k( 143) = ( -0.0473625 0.1307014 0.1390182), wk = 0.0028571 k( 144) = ( -0.0414422 0.1143637 0.1216410), wk = 0.0028571 k( 145) = ( -0.0355219 0.0980261 0.1042637), wk = 0.0028571 k( 146) = ( -0.0296016 0.0816884 0.0868864), wk = 0.0028571 k( 147) = ( -0.0236813 0.0653507 0.0695091), wk = 0.0028571 k( 148) = ( -0.0177610 0.0490130 0.0521318), wk = 0.0028571 k( 149) = ( -0.0118406 0.0326754 0.0347546), wk = 0.0028571 k( 150) = ( -0.0059203 0.0163377 0.0173773), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 153) = ( 0.0227273 0.0082357 -0.0000000), wk = 0.0028571 k( 154) = ( 0.0454546 0.0164715 -0.0000000), wk = 0.0028571 k( 155) = ( 0.0681818 0.0247072 -0.0000000), wk = 0.0028571 k( 156) = ( 0.0909091 0.0329429 -0.0000000), wk = 0.0028571 k( 157) = ( 0.1136364 0.0411786 -0.0000000), wk = 0.0028571 k( 158) = ( 0.1363636 0.0494144 -0.0000000), wk = 0.0028571 k( 159) = ( 0.1590909 0.0576501 -0.0000000), wk = 0.0028571 k( 160) = ( 0.1818182 0.0658858 -0.0000000), wk = 0.0028571 k( 161) = ( 0.2045454 0.0741215 -0.0000000), wk = 0.0028571 k( 162) = ( 0.2272727 0.0823573 -0.0000000), wk = 0.0028571 k( 163) = ( 0.2500000 0.0905930 -0.0000000), wk = 0.0028571 k( 164) = ( 0.2727273 0.0988287 -0.0000000), wk = 0.0028571 k( 165) = ( 0.2954545 0.1070644 -0.0000000), wk = 0.0028571 k( 166) = ( 0.3181818 0.1153002 -0.0000000), wk = 0.0028571 k( 167) = ( 0.3409091 0.1235359 -0.0000000), wk = 0.0028571 k( 168) = ( 0.3636364 0.1317716 -0.0000000), wk = 0.0028571 k( 169) = ( 0.3863636 0.1400073 -0.0000000), wk = 0.0028571 k( 170) = ( 0.4090909 0.1482431 -0.0000000), wk = 0.0028571 k( 171) = ( 0.4318182 0.1564788 -0.0000000), wk = 0.0028571 k( 172) = ( 0.4545455 0.1647145 -0.0000000), wk = 0.0028571 k( 173) = ( 0.4772727 0.1729502 -0.0000000), wk = 0.0028571 k( 174) = ( 0.5000000 0.1811860 -0.0000000), wk = 0.0028571 k( 175) = ( 0.5000000 0.1811860 -0.0000000), wk = 0.0028571 k( 176) = ( 0.4940106 0.1977142 0.0175800), wk = 0.0028571 k( 177) = ( 0.4880212 0.2142425 0.0351600), wk = 0.0028571 k( 178) = ( 0.4820319 0.2307708 0.0527400), wk = 0.0028571 k( 179) = ( 0.4760425 0.2472990 0.0703200), wk = 0.0028571 k( 180) = ( 0.4700531 0.2638273 0.0879000), wk = 0.0028571 k( 181) = ( 0.4640637 0.2803556 0.1054800), wk = 0.0028571 k( 182) = ( 0.4580743 0.2968838 0.1230600), wk = 0.0028571 k( 183) = ( 0.4520850 0.3134121 0.1406400), wk = 0.0028571 k( 184) = ( 0.4460956 0.3299404 0.1582200), wk = 0.0028571 k( 185) = ( 0.4401062 0.3464686 0.1758000), wk = 0.0028571 k( 186) = ( 0.4341168 0.3629969 0.1933800), wk = 0.0028571 k( 187) = ( 0.4281274 0.3795252 0.2109600), wk = 0.0028571 k( 188) = ( 0.4221381 0.3960534 0.2285400), wk = 0.0028571 k( 189) = ( 0.4161487 0.4125817 0.2461200), wk = 0.0028571 k( 190) = ( 0.4101593 0.4291100 0.2637000), wk = 0.0028571 k( 191) = ( 0.4041699 0.4456382 0.2812800), wk = 0.0028571 k( 192) = ( 0.3981805 0.4621665 0.2988599), wk = 0.0028571 k( 193) = ( 0.3921912 0.4786948 0.3164399), wk = 0.0028571 k( 194) = ( 0.3862018 0.4952230 0.3340199), wk = 0.0028571 k( 195) = ( 0.3802124 0.5117513 0.3515999), wk = 0.0028571 k( 196) = ( 0.3742230 0.5282796 0.3691799), wk = 0.0028571 k( 197) = ( 0.3682336 0.5448078 0.3867599), wk = 0.0028571 k( 198) = ( 0.3622443 0.5613361 0.4043399), wk = 0.0028571 k( 199) = ( 0.3562549 0.5778644 0.4219199), wk = 0.0028571 k( 200) = ( 0.3502655 0.5943926 0.4394999), wk = 0.0028571 k( 201) = ( 0.3442761 0.6109209 0.4570799), wk = 0.0028571 k( 202) = ( 0.3382867 0.6274492 0.4746599), wk = 0.0028571 k( 203) = ( 0.3322974 0.6439774 0.4922399), wk = 0.0028571 k( 204) = ( 0.3263080 0.6605057 0.5098199), wk = 0.0028571 k( 205) = ( 0.3203186 0.6770340 0.5273999), wk = 0.0028571 k( 206) = ( 0.3143292 0.6935622 0.5449799), wk = 0.0028571 k( 207) = ( 0.3083398 0.7100905 0.5625599), wk = 0.0028571 k( 208) = ( 0.3023505 0.7266188 0.5801399), wk = 0.0028571 k( 209) = ( 0.2963611 0.7431470 0.5977199), wk = 0.0028571 k( 210) = ( 0.2903717 0.7596753 0.6152999), wk = 0.0028571 k( 211) = ( 0.2843823 0.7762036 0.6328799), wk = 0.0028571 k( 212) = ( 0.2783929 0.7927319 0.6504599), wk = 0.0028571 k( 213) = ( 0.2724036 0.8092601 0.6680399), wk = 0.0028571 k( 214) = ( 0.2664142 0.8257884 0.6856199), wk = 0.0028571 k( 215) = ( 0.2664142 0.8257884 0.6856199), wk = 0.0028571 k( 216) = ( 0.2421947 0.8216705 0.6899998), wk = 0.0028571 k( 217) = ( 0.2179752 0.8175527 0.6943797), wk = 0.0028571 k( 218) = ( 0.1937558 0.8134348 0.6987596), wk = 0.0028571 k( 219) = ( 0.1695363 0.8093169 0.7031395), wk = 0.0028571 k( 220) = ( 0.1453168 0.8051991 0.7075194), wk = 0.0028571 k( 221) = ( 0.1210974 0.8010812 0.7118992), wk = 0.0028571 k( 222) = ( 0.0968779 0.7969634 0.7162791), wk = 0.0028571 k( 223) = ( 0.0726584 0.7928455 0.7206590), wk = 0.0028571 k( 224) = ( 0.0484389 0.7887276 0.7250389), wk = 0.0028571 k( 225) = ( 0.0242195 0.7846098 0.7294188), wk = 0.0028571 k( 226) = ( 0.0000000 0.7804919 0.7337987), wk = 0.0028571 k( 227) = ( 0.0000000 0.7804919 0.7337987), wk = 0.0028571 k( 228) = ( 0.0059524 0.7640657 0.7512701), wk = 0.0028571 k( 229) = ( 0.0119048 0.7476396 0.7687415), wk = 0.0028571 k( 230) = ( 0.0178571 0.7312134 0.7862129), wk = 0.0028571 k( 231) = ( 0.0238095 0.7147873 0.8036843), wk = 0.0028571 k( 232) = ( 0.0297619 0.6983611 0.8211557), wk = 0.0028571 k( 233) = ( 0.0357143 0.6819349 0.8386271), wk = 0.0028571 k( 234) = ( 0.0416667 0.6655087 0.8560985), wk = 0.0028571 k( 235) = ( 0.0476191 0.6490826 0.8735699), wk = 0.0028571 k( 236) = ( 0.0535714 0.6326564 0.8910413), wk = 0.0028571 k( 237) = ( 0.0595238 0.6162303 0.9085127), wk = 0.0028571 k( 238) = ( 0.0654762 0.5998041 0.9259841), wk = 0.0028571 k( 239) = ( 0.0714286 0.5833779 0.9434555), wk = 0.0028571 k( 240) = ( 0.0773810 0.5669518 0.9609269), wk = 0.0028571 k( 241) = ( 0.0833333 0.5505256 0.9783983), wk = 0.0028571 k( 242) = ( 0.0892857 0.5340994 0.9958696), wk = 0.0028571 k( 243) = ( 0.0952381 0.5176733 1.0133411), wk = 0.0028571 k( 244) = ( 0.1011905 0.5012471 1.0308125), wk = 0.0028571 k( 245) = ( 0.1071429 0.4848209 1.0482839), wk = 0.0028571 k( 246) = ( 0.1130952 0.4683948 1.0657553), wk = 0.0028571 k( 247) = ( 0.1190476 0.4519686 1.0832267), wk = 0.0028571 k( 248) = ( 0.1250000 0.4355424 1.1006980), wk = 0.0028571 k( 249) = ( 0.1309524 0.4191163 1.1181694), wk = 0.0028571 k( 250) = ( 0.1369048 0.4026901 1.1356408), wk = 0.0028571 k( 251) = ( 0.1428571 0.3862640 1.1531122), wk = 0.0028571 k( 252) = ( 0.1488095 0.3698378 1.1705836), wk = 0.0028571 k( 253) = ( 0.1547619 0.3534116 1.1880550), wk = 0.0028571 k( 254) = ( 0.1607143 0.3369854 1.2055264), wk = 0.0028571 k( 255) = ( 0.1666667 0.3205593 1.2229978), wk = 0.0028571 k( 256) = ( 0.1726190 0.3041331 1.2404692), wk = 0.0028571 k( 257) = ( 0.1785714 0.2877070 1.2579406), wk = 0.0028571 k( 258) = ( 0.1845238 0.2712808 1.2754120), wk = 0.0028571 k( 259) = ( 0.1904762 0.2548546 1.2928834), wk = 0.0028571 k( 260) = ( 0.1964286 0.2384285 1.3103548), wk = 0.0028571 k( 261) = ( 0.2023810 0.2220023 1.3278262), wk = 0.0028571 k( 262) = ( 0.2083333 0.2055761 1.3452976), wk = 0.0028571 k( 263) = ( 0.2142857 0.1891500 1.3627690), wk = 0.0028571 k( 264) = ( 0.2202381 0.1727238 1.3802404), wk = 0.0028571 k( 265) = ( 0.2261905 0.1562976 1.3977118), wk = 0.0028571 k( 266) = ( 0.2321429 0.1398715 1.4151832), wk = 0.0028571 k( 267) = ( 0.2380952 0.1234453 1.4326546), wk = 0.0028571 k( 268) = ( 0.2440476 0.1070191 1.4501260), wk = 0.0028571 k( 269) = ( 0.2500000 0.0905930 1.4675974), wk = 0.0028571 k( 270) = ( 0.2500000 0.0905930 1.4675974), wk = 0.0028571 k( 271) = ( 0.2708333 0.0981424 1.4595676), wk = 0.0028571 k( 272) = ( 0.2916667 0.1056918 1.4515378), wk = 0.0028571 k( 273) = ( 0.3125000 0.1132412 1.4435080), wk = 0.0028571 k( 274) = ( 0.3333333 0.1207906 1.4354782), wk = 0.0028571 k( 275) = ( 0.3541667 0.1283401 1.4274484), wk = 0.0028571 k( 276) = ( 0.3750000 0.1358895 1.4194186), wk = 0.0028571 k( 277) = ( 0.3958333 0.1434389 1.4113888), wk = 0.0028571 k( 278) = ( 0.4166667 0.1509883 1.4033590), wk = 0.0028571 k( 279) = ( 0.4375000 0.1585377 1.3953292), wk = 0.0028571 k( 280) = ( 0.4583333 0.1660871 1.3872994), wk = 0.0028571 k( 281) = ( 0.4791667 0.1736365 1.3792696), wk = 0.0028571 k( 282) = ( 0.5000000 0.1811860 1.3712398), wk = 0.0028571 k( 283) = ( 0.5000000 0.1811860 1.3712398), wk = 0.0028571 k( 284) = ( 0.5000000 0.1811860 1.3463082), wk = 0.0028571 k( 285) = ( 0.5000000 0.1811860 1.3213765), wk = 0.0028571 k( 286) = ( 0.5000000 0.1811860 1.2964449), wk = 0.0028571 k( 287) = ( 0.5000000 0.1811860 1.2715133), wk = 0.0028571 k( 288) = ( 0.5000000 0.1811860 1.2465816), wk = 0.0028571 k( 289) = ( 0.5000000 0.1811860 1.2216500), wk = 0.0028571 k( 290) = ( 0.5000000 0.1811860 1.1967184), wk = 0.0028571 k( 291) = ( 0.5000000 0.1811860 1.1717867), wk = 0.0028571 k( 292) = ( 0.5000000 0.1811860 1.1468551), wk = 0.0028571 k( 293) = ( 0.5000000 0.1811860 1.1219235), wk = 0.0028571 k( 294) = ( 0.5000000 0.1811860 1.0969918), wk = 0.0028571 k( 295) = ( 0.5000000 0.1811860 1.0720602), wk = 0.0028571 k( 296) = ( 0.5000000 0.1811860 1.0471286), wk = 0.0028571 k( 297) = ( 0.5000000 0.1811860 1.0221969), wk = 0.0028571 k( 298) = ( 0.5000000 0.1811860 0.9972653), wk = 0.0028571 k( 299) = ( 0.5000000 0.1811860 0.9723337), wk = 0.0028571 k( 300) = ( 0.5000000 0.1811860 0.9474020), wk = 0.0028571 k( 301) = ( 0.5000000 0.1811860 0.9224704), wk = 0.0028571 k( 302) = ( 0.5000000 0.1811860 0.8975388), wk = 0.0028571 k( 303) = ( 0.5000000 0.1811860 0.8726071), wk = 0.0028571 k( 304) = ( 0.5000000 0.1811860 0.8476755), wk = 0.0028571 k( 305) = ( 0.5000000 0.1811860 0.8227439), wk = 0.0028571 k( 306) = ( 0.5000000 0.1811860 0.7978122), wk = 0.0028571 k( 307) = ( 0.5000000 0.1811860 0.7728806), wk = 0.0028571 k( 308) = ( 0.5000000 0.1811860 0.7479490), wk = 0.0028571 k( 309) = ( 0.5000000 0.1811860 0.7230173), wk = 0.0028571 k( 310) = ( 0.5000000 0.1811860 0.6980857), wk = 0.0028571 k( 311) = ( 0.5000000 0.1811860 0.6731541), wk = 0.0028571 k( 312) = ( 0.5000000 0.1811860 0.6482224), wk = 0.0028571 k( 313) = ( 0.5000000 0.1811860 0.6232908), wk = 0.0028571 k( 314) = ( 0.5000000 0.1811860 0.5983592), wk = 0.0028571 k( 315) = ( 0.5000000 0.1811860 0.5734275), wk = 0.0028571 k( 316) = ( 0.5000000 0.1811860 0.5484959), wk = 0.0028571 k( 317) = ( 0.5000000 0.1811860 0.5235643), wk = 0.0028571 k( 318) = ( 0.5000000 0.1811860 0.4986327), wk = 0.0028571 k( 319) = ( 0.5000000 0.1811860 0.4737010), wk = 0.0028571 k( 320) = ( 0.5000000 0.1811860 0.4487694), wk = 0.0028571 k( 321) = ( 0.5000000 0.1811860 0.4238378), wk = 0.0028571 k( 322) = ( 0.5000000 0.1811860 0.3989061), wk = 0.0028571 k( 323) = ( 0.5000000 0.1811860 0.3739745), wk = 0.0028571 k( 324) = ( 0.5000000 0.1811860 0.3490429), wk = 0.0028571 k( 325) = ( 0.5000000 0.1811860 0.3241112), wk = 0.0028571 k( 326) = ( 0.5000000 0.1811860 0.2991796), wk = 0.0028571 k( 327) = ( 0.5000000 0.1811860 0.2742480), wk = 0.0028571 k( 328) = ( 0.5000000 0.1811860 0.2493163), wk = 0.0028571 k( 329) = ( 0.5000000 0.1811860 0.2243847), wk = 0.0028571 k( 330) = ( 0.5000000 0.1811860 0.1994531), wk = 0.0028571 k( 331) = ( 0.5000000 0.1811860 0.1745214), wk = 0.0028571 k( 332) = ( 0.5000000 0.1811860 0.1495898), wk = 0.0028571 k( 333) = ( 0.5000000 0.1811860 0.1246582), wk = 0.0028571 k( 334) = ( 0.5000000 0.1811860 0.0997265), wk = 0.0028571 k( 335) = ( 0.5000000 0.1811860 0.0747949), wk = 0.0028571 k( 336) = ( 0.5000000 0.1811860 0.0498633), wk = 0.0028571 k( 337) = ( 0.5000000 0.1811860 0.0249316), wk = 0.0028571 k( 338) = ( 0.5000000 0.1811860 -0.0000000), wk = 0.0028571 k( 339) = ( 0.0000000 0.0000000 1.4675974), wk = 0.0028571 k( 340) = ( 0.0227273 0.0082357 1.4675974), wk = 0.0028571 k( 341) = ( 0.0454546 0.0164715 1.4675974), wk = 0.0028571 k( 342) = ( 0.0681818 0.0247072 1.4675974), wk = 0.0028571 k( 343) = ( 0.0909091 0.0329429 1.4675974), wk = 0.0028571 k( 344) = ( 0.1136364 0.0411786 1.4675974), wk = 0.0028571 k( 345) = ( 0.1363636 0.0494144 1.4675974), wk = 0.0028571 k( 346) = ( 0.1590909 0.0576501 1.4675974), wk = 0.0028571 k( 347) = ( 0.1818182 0.0658858 1.4675974), wk = 0.0028571 k( 348) = ( 0.2045454 0.0741215 1.4675974), wk = 0.0028571 k( 349) = ( 0.2272727 0.0823573 1.4675974), wk = 0.0028571 k( 350) = ( 0.2500000 0.0905930 1.4675974), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0084746), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0169491), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0254237), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0338983), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0423729), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.0508475), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.0593220), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.0677966), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.0762712), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.0847458), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.0932203), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.1016949), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.1101695), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.1186441), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.1271186), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.1355932), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.1440678), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.1525424), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.1610169), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.1694915), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.1779661), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.1864407), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.1949152), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.2033898), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.2118644), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.2203390), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.2288136), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.2372881), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.2457627), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.2542373), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.2627119), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.2711864), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.2796610), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.2881356), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.2966102), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.3050848), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.3135593), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.3220339), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.3305085), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.3389831), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.3474576), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.3559322), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.3644068), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.3728814), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.3813559), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.3898305), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 0.3983051), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 0.4067797), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 0.4152542), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 0.4237288), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 0.4322034), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 0.4406780), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 0.4491525), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 0.4576271), wk = 0.0028571 k( 56) = ( 0.0000000 0.0000000 0.4661017), wk = 0.0028571 k( 57) = ( 0.0000000 0.0000000 0.4745763), wk = 0.0028571 k( 58) = ( 0.0000000 0.0000000 0.4830508), wk = 0.0028571 k( 59) = ( 0.0000000 0.0000000 0.4915254), wk = 0.0028571 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 61) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 62) = ( -0.0082071 0.0082071 0.5000000), wk = 0.0028571 k( 63) = ( -0.0164142 0.0164142 0.5000000), wk = 0.0028571 k( 64) = ( -0.0246213 0.0246213 0.5000000), wk = 0.0028571 k( 65) = ( -0.0328283 0.0328283 0.5000000), wk = 0.0028571 k( 66) = ( -0.0328283 0.0328283 0.5000000), wk = 0.0028571 k( 67) = ( -0.0388177 0.0388177 0.4940106), wk = 0.0028571 k( 68) = ( -0.0448071 0.0448071 0.4880212), wk = 0.0028571 k( 69) = ( -0.0507965 0.0507965 0.4820319), wk = 0.0028571 k( 70) = ( -0.0567859 0.0567859 0.4760425), wk = 0.0028571 k( 71) = ( -0.0627753 0.0627752 0.4700531), wk = 0.0028571 k( 72) = ( -0.0687646 0.0687646 0.4640637), wk = 0.0028571 k( 73) = ( -0.0747540 0.0747540 0.4580743), wk = 0.0028571 k( 74) = ( -0.0807434 0.0807434 0.4520850), wk = 0.0028571 k( 75) = ( -0.0867328 0.0867328 0.4460956), wk = 0.0028571 k( 76) = ( -0.0927222 0.0927221 0.4401062), wk = 0.0028571 k( 77) = ( -0.0987115 0.0987115 0.4341168), wk = 0.0028571 k( 78) = ( -0.1047009 0.1047009 0.4281274), wk = 0.0028571 k( 79) = ( -0.1106903 0.1106903 0.4221381), wk = 0.0028571 k( 80) = ( -0.1166797 0.1166797 0.4161487), wk = 0.0028571 k( 81) = ( -0.1226691 0.1226690 0.4101593), wk = 0.0028571 k( 82) = ( -0.1286584 0.1286584 0.4041699), wk = 0.0028571 k( 83) = ( -0.1346478 0.1346478 0.3981805), wk = 0.0028571 k( 84) = ( -0.1406372 0.1406372 0.3921912), wk = 0.0028571 k( 85) = ( -0.1466266 0.1466266 0.3862018), wk = 0.0028571 k( 86) = ( -0.1526160 0.1526159 0.3802124), wk = 0.0028571 k( 87) = ( -0.1586053 0.1586053 0.3742230), wk = 0.0028571 k( 88) = ( -0.1645947 0.1645947 0.3682336), wk = 0.0028571 k( 89) = ( -0.1705841 0.1705841 0.3622443), wk = 0.0028571 k( 90) = ( -0.1765735 0.1765735 0.3562549), wk = 0.0028571 k( 91) = ( -0.1825628 0.1825628 0.3502655), wk = 0.0028571 k( 92) = ( -0.1885522 0.1885522 0.3442761), wk = 0.0028571 k( 93) = ( -0.1945416 0.1945416 0.3382867), wk = 0.0028571 k( 94) = ( -0.2005310 0.2005310 0.3322974), wk = 0.0028571 k( 95) = ( -0.2065204 0.2065204 0.3263080), wk = 0.0028571 k( 96) = ( -0.2125098 0.2125098 0.3203186), wk = 0.0028571 k( 97) = ( -0.2184991 0.2184991 0.3143292), wk = 0.0028571 k( 98) = ( -0.2244885 0.2244885 0.3083398), wk = 0.0028571 k( 99) = ( -0.2304779 0.2304779 0.3023505), wk = 0.0028571 k( 100) = ( -0.2364673 0.2364673 0.2963611), wk = 0.0028571 k( 101) = ( -0.2424567 0.2424567 0.2903717), wk = 0.0028571 k( 102) = ( -0.2484460 0.2484460 0.2843823), wk = 0.0028571 k( 103) = ( -0.2544354 0.2544354 0.2783929), wk = 0.0028571 k( 104) = ( -0.2604248 0.2604248 0.2724036), wk = 0.0028571 k( 105) = ( -0.2664142 0.2664142 0.2664142), wk = 0.0028571 k( 106) = ( -0.2664142 0.2664142 0.2664142), wk = 0.0028571 k( 107) = ( -0.2604939 0.2604939 0.2604939), wk = 0.0028571 k( 108) = ( -0.2545735 0.2545735 0.2545735), wk = 0.0028571 k( 109) = ( -0.2486532 0.2486532 0.2486532), wk = 0.0028571 k( 110) = ( -0.2427329 0.2427329 0.2427329), wk = 0.0028571 k( 111) = ( -0.2368126 0.2368126 0.2368126), wk = 0.0028571 k( 112) = ( -0.2308923 0.2308923 0.2308923), wk = 0.0028571 k( 113) = ( -0.2249720 0.2249720 0.2249720), wk = 0.0028571 k( 114) = ( -0.2190517 0.2190517 0.2190517), wk = 0.0028571 k( 115) = ( -0.2131313 0.2131313 0.2131313), wk = 0.0028571 k( 116) = ( -0.2072110 0.2072110 0.2072110), wk = 0.0028571 k( 117) = ( -0.2012907 0.2012907 0.2012907), wk = 0.0028571 k( 118) = ( -0.1953704 0.1953704 0.1953704), wk = 0.0028571 k( 119) = ( -0.1894501 0.1894501 0.1894501), wk = 0.0028571 k( 120) = ( -0.1835298 0.1835298 0.1835298), wk = 0.0028571 k( 121) = ( -0.1776095 0.1776095 0.1776095), wk = 0.0028571 k( 122) = ( -0.1716891 0.1716891 0.1716891), wk = 0.0028571 k( 123) = ( -0.1657688 0.1657688 0.1657688), wk = 0.0028571 k( 124) = ( -0.1598485 0.1598485 0.1598485), wk = 0.0028571 k( 125) = ( -0.1539282 0.1539282 0.1539282), wk = 0.0028571 k( 126) = ( -0.1480079 0.1480079 0.1480079), wk = 0.0028571 k( 127) = ( -0.1420876 0.1420876 0.1420876), wk = 0.0028571 k( 128) = ( -0.1361672 0.1361672 0.1361672), wk = 0.0028571 k( 129) = ( -0.1302469 0.1302469 0.1302469), wk = 0.0028571 k( 130) = ( -0.1243266 0.1243266 0.1243266), wk = 0.0028571 k( 131) = ( -0.1184063 0.1184063 0.1184063), wk = 0.0028571 k( 132) = ( -0.1124860 0.1124860 0.1124860), wk = 0.0028571 k( 133) = ( -0.1065657 0.1065657 0.1065657), wk = 0.0028571 k( 134) = ( -0.1006454 0.1006454 0.1006454), wk = 0.0028571 k( 135) = ( -0.0947250 0.0947250 0.0947250), wk = 0.0028571 k( 136) = ( -0.0888047 0.0888047 0.0888047), wk = 0.0028571 k( 137) = ( -0.0828844 0.0828844 0.0828844), wk = 0.0028571 k( 138) = ( -0.0769641 0.0769641 0.0769641), wk = 0.0028571 k( 139) = ( -0.0710438 0.0710438 0.0710438), wk = 0.0028571 k( 140) = ( -0.0651235 0.0651235 0.0651235), wk = 0.0028571 k( 141) = ( -0.0592032 0.0592031 0.0592031), wk = 0.0028571 k( 142) = ( -0.0532828 0.0532828 0.0532828), wk = 0.0028571 k( 143) = ( -0.0473625 0.0473625 0.0473625), wk = 0.0028571 k( 144) = ( -0.0414422 0.0414422 0.0414422), wk = 0.0028571 k( 145) = ( -0.0355219 0.0355219 0.0355219), wk = 0.0028571 k( 146) = ( -0.0296016 0.0296016 0.0296016), wk = 0.0028571 k( 147) = ( -0.0236813 0.0236813 0.0236813), wk = 0.0028571 k( 148) = ( -0.0177610 0.0177609 0.0177610), wk = 0.0028571 k( 149) = ( -0.0118406 0.0118406 0.0118406), wk = 0.0028571 k( 150) = ( -0.0059203 0.0059203 0.0059203), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 153) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0028571 k( 154) = ( 0.0454546 0.0454546 -0.0454546), wk = 0.0028571 k( 155) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0028571 k( 156) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0028571 k( 157) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0028571 k( 158) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0028571 k( 159) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0028571 k( 160) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0028571 k( 161) = ( 0.2045454 0.2045454 -0.2045455), wk = 0.0028571 k( 162) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0028571 k( 163) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028571 k( 164) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0028571 k( 165) = ( 0.2954545 0.2954545 -0.2954545), wk = 0.0028571 k( 166) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0028571 k( 167) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0028571 k( 168) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0028571 k( 169) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0028571 k( 170) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0028571 k( 171) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0028571 k( 172) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0028571 k( 173) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0028571 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 175) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 176) = ( 0.4940106 0.5059894 -0.4940106), wk = 0.0028571 k( 177) = ( 0.4880212 0.5119788 -0.4880212), wk = 0.0028571 k( 178) = ( 0.4820319 0.5179681 -0.4820319), wk = 0.0028571 k( 179) = ( 0.4760425 0.5239575 -0.4760425), wk = 0.0028571 k( 180) = ( 0.4700531 0.5299469 -0.4700531), wk = 0.0028571 k( 181) = ( 0.4640637 0.5359363 -0.4640637), wk = 0.0028571 k( 182) = ( 0.4580743 0.5419257 -0.4580743), wk = 0.0028571 k( 183) = ( 0.4520850 0.5479150 -0.4520850), wk = 0.0028571 k( 184) = ( 0.4460956 0.5539044 -0.4460956), wk = 0.0028571 k( 185) = ( 0.4401062 0.5598938 -0.4401062), wk = 0.0028571 k( 186) = ( 0.4341168 0.5658832 -0.4341168), wk = 0.0028571 k( 187) = ( 0.4281274 0.5718726 -0.4281274), wk = 0.0028571 k( 188) = ( 0.4221381 0.5778619 -0.4221381), wk = 0.0028571 k( 189) = ( 0.4161487 0.5838513 -0.4161487), wk = 0.0028571 k( 190) = ( 0.4101593 0.5898407 -0.4101593), wk = 0.0028571 k( 191) = ( 0.4041699 0.5958301 -0.4041699), wk = 0.0028571 k( 192) = ( 0.3981805 0.6018195 -0.3981805), wk = 0.0028571 k( 193) = ( 0.3921912 0.6078088 -0.3921912), wk = 0.0028571 k( 194) = ( 0.3862018 0.6137982 -0.3862018), wk = 0.0028571 k( 195) = ( 0.3802124 0.6197876 -0.3802124), wk = 0.0028571 k( 196) = ( 0.3742230 0.6257770 -0.3742230), wk = 0.0028571 k( 197) = ( 0.3682336 0.6317664 -0.3682336), wk = 0.0028571 k( 198) = ( 0.3622443 0.6377557 -0.3622443), wk = 0.0028571 k( 199) = ( 0.3562549 0.6437451 -0.3562549), wk = 0.0028571 k( 200) = ( 0.3502655 0.6497345 -0.3502655), wk = 0.0028571 k( 201) = ( 0.3442761 0.6557239 -0.3442761), wk = 0.0028571 k( 202) = ( 0.3382867 0.6617133 -0.3382867), wk = 0.0028571 k( 203) = ( 0.3322974 0.6677026 -0.3322974), wk = 0.0028571 k( 204) = ( 0.3263080 0.6736920 -0.3263080), wk = 0.0028571 k( 205) = ( 0.3203186 0.6796814 -0.3203186), wk = 0.0028571 k( 206) = ( 0.3143292 0.6856708 -0.3143292), wk = 0.0028571 k( 207) = ( 0.3083398 0.6916602 -0.3083398), wk = 0.0028571 k( 208) = ( 0.3023505 0.6976495 -0.3023505), wk = 0.0028571 k( 209) = ( 0.2963611 0.7036389 -0.2963611), wk = 0.0028571 k( 210) = ( 0.2903717 0.7096283 -0.2903717), wk = 0.0028571 k( 211) = ( 0.2843823 0.7156177 -0.2843823), wk = 0.0028571 k( 212) = ( 0.2783929 0.7216071 -0.2783929), wk = 0.0028571 k( 213) = ( 0.2724036 0.7275964 -0.2724036), wk = 0.0028571 k( 214) = ( 0.2664142 0.7335858 -0.2664142), wk = 0.0028571 k( 215) = ( 0.2664142 0.7335858 -0.2664142), wk = 0.0028571 k( 216) = ( 0.2421947 0.7123507 -0.2421947), wk = 0.0028571 k( 217) = ( 0.2179752 0.6911157 -0.2179752), wk = 0.0028571 k( 218) = ( 0.1937558 0.6698806 -0.1937558), wk = 0.0028571 k( 219) = ( 0.1695363 0.6486455 -0.1695363), wk = 0.0028571 k( 220) = ( 0.1453168 0.6274104 -0.1453168), wk = 0.0028571 k( 221) = ( 0.1210974 0.6061754 -0.1210973), wk = 0.0028571 k( 222) = ( 0.0968779 0.5849403 -0.0968779), wk = 0.0028571 k( 223) = ( 0.0726584 0.5637052 -0.0726584), wk = 0.0028571 k( 224) = ( 0.0484389 0.5424701 -0.0484389), wk = 0.0028571 k( 225) = ( 0.0242195 0.5212351 -0.0242195), wk = 0.0028571 k( 226) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 227) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 228) = ( 0.0059524 0.4940476 0.0059524), wk = 0.0028571 k( 229) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0028571 k( 230) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0028571 k( 231) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0028571 k( 232) = ( 0.0297619 0.4702381 0.0297619), wk = 0.0028571 k( 233) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0028571 k( 234) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0028571 k( 235) = ( 0.0476191 0.4523809 0.0476191), wk = 0.0028571 k( 236) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0028571 k( 237) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0028571 k( 238) = ( 0.0654762 0.4345238 0.0654762), wk = 0.0028571 k( 239) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0028571 k( 240) = ( 0.0773810 0.4226190 0.0773809), wk = 0.0028571 k( 241) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0028571 k( 242) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0028571 k( 243) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0028571 k( 244) = ( 0.1011905 0.3988095 0.1011905), wk = 0.0028571 k( 245) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0028571 k( 246) = ( 0.1130952 0.3869048 0.1130952), wk = 0.0028571 k( 247) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0028571 k( 248) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028571 k( 249) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0028571 k( 250) = ( 0.1369048 0.3630952 0.1369048), wk = 0.0028571 k( 251) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0028571 k( 252) = ( 0.1488095 0.3511905 0.1488095), wk = 0.0028571 k( 253) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0028571 k( 254) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0028571 k( 255) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0028571 k( 256) = ( 0.1726190 0.3273810 0.1726190), wk = 0.0028571 k( 257) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0028571 k( 258) = ( 0.1845238 0.3154762 0.1845238), wk = 0.0028571 k( 259) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0028571 k( 260) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0028571 k( 261) = ( 0.2023810 0.2976190 0.2023810), wk = 0.0028571 k( 262) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0028571 k( 263) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0028571 k( 264) = ( 0.2202381 0.2797619 0.2202381), wk = 0.0028571 k( 265) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0028571 k( 266) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0028571 k( 267) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0028571 k( 268) = ( 0.2440476 0.2559524 0.2440476), wk = 0.0028571 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 270) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 271) = ( 0.2708333 0.2708333 0.2264310), wk = 0.0028571 k( 272) = ( 0.2916667 0.2916667 0.2028619), wk = 0.0028571 k( 273) = ( 0.3125000 0.3125000 0.1792929), wk = 0.0028571 k( 274) = ( 0.3333333 0.3333333 0.1557239), wk = 0.0028571 k( 275) = ( 0.3541667 0.3541667 0.1321548), wk = 0.0028571 k( 276) = ( 0.3750000 0.3750000 0.1085858), wk = 0.0028571 k( 277) = ( 0.3958333 0.3958333 0.0850168), wk = 0.0028571 k( 278) = ( 0.4166667 0.4166667 0.0614478), wk = 0.0028571 k( 279) = ( 0.4375000 0.4375000 0.0378787), wk = 0.0028571 k( 280) = ( 0.4583333 0.4583333 0.0143097), wk = 0.0028571 k( 281) = ( 0.4791667 0.4791667 -0.0092593), wk = 0.0028571 k( 282) = ( 0.5000000 0.5000000 -0.0328283), wk = 0.0028571 k( 283) = ( 0.5000000 0.5000000 -0.0328283), wk = 0.0028571 k( 284) = ( 0.5000000 0.5000000 -0.0413224), wk = 0.0028571 k( 285) = ( 0.5000000 0.5000000 -0.0498164), wk = 0.0028571 k( 286) = ( 0.5000000 0.5000000 -0.0583104), wk = 0.0028571 k( 287) = ( 0.5000000 0.5000000 -0.0668045), wk = 0.0028571 k( 288) = ( 0.5000000 0.5000000 -0.0752985), wk = 0.0028571 k( 289) = ( 0.5000000 0.5000000 -0.0837925), wk = 0.0028571 k( 290) = ( 0.5000000 0.5000000 -0.0922866), wk = 0.0028571 k( 291) = ( 0.5000000 0.5000000 -0.1007806), wk = 0.0028571 k( 292) = ( 0.5000000 0.5000000 -0.1092746), wk = 0.0028571 k( 293) = ( 0.5000000 0.5000000 -0.1177687), wk = 0.0028571 k( 294) = ( 0.5000000 0.5000000 -0.1262627), wk = 0.0028571 k( 295) = ( 0.5000000 0.5000000 -0.1347567), wk = 0.0028571 k( 296) = ( 0.5000000 0.5000000 -0.1432507), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 -0.1517448), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 -0.1602388), wk = 0.0028571 k( 299) = ( 0.5000000 0.5000000 -0.1687328), wk = 0.0028571 k( 300) = ( 0.5000000 0.5000000 -0.1772269), wk = 0.0028571 k( 301) = ( 0.5000000 0.5000000 -0.1857209), wk = 0.0028571 k( 302) = ( 0.5000000 0.5000000 -0.1942149), wk = 0.0028571 k( 303) = ( 0.5000000 0.5000000 -0.2027089), wk = 0.0028571 k( 304) = ( 0.5000000 0.5000000 -0.2112030), wk = 0.0028571 k( 305) = ( 0.5000000 0.5000000 -0.2196970), wk = 0.0028571 k( 306) = ( 0.5000000 0.5000000 -0.2281910), wk = 0.0028571 k( 307) = ( 0.5000000 0.5000000 -0.2366851), wk = 0.0028571 k( 308) = ( 0.5000000 0.5000000 -0.2451791), wk = 0.0028571 k( 309) = ( 0.5000000 0.5000000 -0.2536731), wk = 0.0028571 k( 310) = ( 0.5000000 0.5000000 -0.2621672), wk = 0.0028571 k( 311) = ( 0.5000000 0.5000000 -0.2706612), wk = 0.0028571 k( 312) = ( 0.5000000 0.5000000 -0.2791552), wk = 0.0028571 k( 313) = ( 0.5000000 0.5000000 -0.2876493), wk = 0.0028571 k( 314) = ( 0.5000000 0.5000000 -0.2961433), wk = 0.0028571 k( 315) = ( 0.5000000 0.5000000 -0.3046373), wk = 0.0028571 k( 316) = ( 0.5000000 0.5000000 -0.3131313), wk = 0.0028571 k( 317) = ( 0.5000000 0.5000000 -0.3216254), wk = 0.0028571 k( 318) = ( 0.5000000 0.5000000 -0.3301194), wk = 0.0028571 k( 319) = ( 0.5000000 0.5000000 -0.3386134), wk = 0.0028571 k( 320) = ( 0.5000000 0.5000000 -0.3471075), wk = 0.0028571 k( 321) = ( 0.5000000 0.5000000 -0.3556015), wk = 0.0028571 k( 322) = ( 0.5000000 0.5000000 -0.3640955), wk = 0.0028571 k( 323) = ( 0.5000000 0.5000000 -0.3725895), wk = 0.0028571 k( 324) = ( 0.5000000 0.5000000 -0.3810836), wk = 0.0028571 k( 325) = ( 0.5000000 0.5000000 -0.3895776), wk = 0.0028571 k( 326) = ( 0.5000000 0.5000000 -0.3980716), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 -0.4065657), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 -0.4150597), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 -0.4235537), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 -0.4320478), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 -0.4405418), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 -0.4490358), wk = 0.0028571 k( 333) = ( 0.5000000 0.5000000 -0.4575299), wk = 0.0028571 k( 334) = ( 0.5000000 0.5000000 -0.4660239), wk = 0.0028571 k( 335) = ( 0.5000000 0.5000000 -0.4745179), wk = 0.0028571 k( 336) = ( 0.5000000 0.5000000 -0.4830119), wk = 0.0028571 k( 337) = ( 0.5000000 0.5000000 -0.4915060), wk = 0.0028571 k( 338) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 339) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 340) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0028571 k( 341) = ( 0.0454546 0.0454546 0.4545454), wk = 0.0028571 k( 342) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0028571 k( 343) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0028571 k( 344) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0028571 k( 345) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0028571 k( 346) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0028571 k( 347) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0028571 k( 348) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0028571 k( 349) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0028571 k( 350) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 Dense grid: 69615 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 492, 50) NL pseudopotentials 0.48 Mb ( 246, 128) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1934) G-vector shells 0.01 Mb ( 888) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.50 Mb ( 492, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 128, 2, 50) The potential is recalculated from file : ./ZrTiAs.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 10.2 secs Computing kpt #: 4 total cpu time spent up to now is 13.5 secs Computing kpt #: 5 total cpu time spent up to now is 16.8 secs Computing kpt #: 6 total cpu time spent up to now is 20.2 secs Computing kpt #: 7 total cpu time spent up to now is 23.7 secs Computing kpt #: 8 total cpu time spent up to now is 27.2 secs Computing kpt #: 9 total cpu time spent up to now is 30.8 secs Computing kpt #: 10 total cpu time spent up to now is 34.4 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.5 secs Computing kpt #: 12 total cpu time spent up to now is 43.0 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.1 secs Computing kpt #: 14 total cpu time spent up to now is 53.3 secs Computing kpt #: 15 total cpu time spent up to now is 58.3 secs Computing kpt #: 16 total cpu time spent up to now is 63.3 secs Computing kpt #: 17 total cpu time spent up to now is 68.3 secs Computing kpt #: 18 total cpu time spent up to now is 72.8 secs Computing kpt #: 19 total cpu time spent up to now is 76.9 secs Computing kpt #: 20 total cpu time spent up to now is 81.1 secs Computing kpt #: 21 total cpu time spent up to now is 85.3 secs Computing kpt #: 22 total cpu time spent up to now is 89.5 secs Computing kpt #: 23 total cpu time spent up to now is 93.7 secs Computing kpt #: 24 total cpu time spent up to now is 97.8 secs Computing kpt #: 25 total cpu time spent up to now is 101.9 secs Computing kpt #: 26 total cpu time spent up to now is 106.0 secs Computing kpt #: 27 total cpu time spent up to now is 109.7 secs Computing kpt #: 28 total cpu time spent up to now is 113.5 secs Computing kpt #: 29 total cpu time spent up to now is 117.2 secs Computing kpt #: 30 total cpu time spent up to now is 120.8 secs Computing kpt #: 31 total cpu time spent up to now is 124.5 secs Computing kpt #: 32 total cpu time spent up to now is 128.1 secs Computing kpt #: 33 total cpu time spent up to now is 131.7 secs Computing kpt #: 34 total cpu time spent up to now is 135.4 secs Computing kpt #: 35 total cpu time spent up to now is 139.0 secs Computing kpt #: 36 total cpu time spent up to now is 142.6 secs Computing kpt #: 37 total cpu time spent up to now is 146.2 secs Computing kpt #: 38 total cpu time spent up to now is 149.8 secs Computing kpt #: 39 total cpu time spent up to now is 153.5 secs Computing kpt #: 40 total cpu time spent up to now is 157.3 secs Computing kpt #: 41 total cpu time spent up to now is 161.2 secs Computing kpt #: 42 total cpu time spent up to now is 165.0 secs Computing kpt #: 43 total cpu time spent up to now is 169.0 secs Computing kpt #: 44 total cpu time spent up to now is 173.5 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.6 secs Computing kpt #: 46 total cpu time spent up to now is 183.3 secs Computing kpt #: 47 total cpu time spent up to now is 188.3 secs Computing kpt #: 48 total cpu time spent up to now is 192.7 secs Computing kpt #: 49 total cpu time spent up to now is 196.7 secs Computing kpt #: 50 total cpu time spent up to now is 201.4 secs Computing kpt #: 51 total cpu time spent up to now is 205.0 secs Computing kpt #: 52 total cpu time spent up to now is 208.6 secs Computing kpt #: 53 total cpu time spent up to now is 212.1 secs Computing kpt #: 54 total cpu time spent up to now is 215.7 secs Computing kpt #: 55 total cpu time spent up to now is 219.5 secs Computing kpt #: 56 total cpu time spent up to now is 223.2 secs Computing kpt #: 57 total cpu time spent up to now is 226.8 secs Computing kpt #: 58 total cpu time spent up to now is 230.4 secs Computing kpt #: 59 total cpu time spent up to now is 233.9 secs Computing kpt #: 60 total cpu time spent up to now is 237.6 secs Computing kpt #: 61 total cpu time spent up to now is 241.6 secs Computing kpt #: 62 total cpu time spent up to now is 245.2 secs Computing kpt #: 63 total cpu time spent up to now is 248.8 secs Computing kpt #: 64 total cpu time spent up to now is 252.6 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.8 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.1 secs Computing kpt #: 67 total cpu time spent up to now is 267.4 secs Computing kpt #: 68 total cpu time spent up to now is 272.0 secs Computing kpt #: 69 total cpu time spent up to now is 276.2 secs Computing kpt #: 70 total cpu time spent up to now is 280.5 secs Computing kpt #: 71 total cpu time spent up to now is 284.7 secs Computing kpt #: 72 total cpu time spent up to now is 288.9 secs Computing kpt #: 73 total cpu time spent up to now is 293.2 secs Computing kpt #: 74 total cpu time spent up to now is 297.4 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 302.6 secs Computing kpt #: 76 total cpu time spent up to now is 307.5 secs Computing kpt #: 77 total cpu time spent up to now is 312.1 secs Computing kpt #: 78 total cpu time spent up to now is 316.4 secs Computing kpt #: 79 total cpu time spent up to now is 320.6 secs Computing kpt #: 80 total cpu time spent up to now is 324.8 secs Computing kpt #: 81 total cpu time spent up to now is 329.0 secs Computing kpt #: 82 total cpu time spent up to now is 333.3 secs Computing kpt #: 83 total cpu time spent up to now is 337.8 secs Computing kpt #: 84 total cpu time spent up to now is 342.0 secs Computing kpt #: 85 total cpu time spent up to now is 346.1 secs Computing kpt #: 86 total cpu time spent up to now is 350.2 secs Computing kpt #: 87 total cpu time spent up to now is 354.0 secs Computing kpt #: 88 total cpu time spent up to now is 357.7 secs Computing kpt #: 89 total cpu time spent up to now is 361.4 secs Computing kpt #: 90 total cpu time spent up to now is 365.1 secs Computing kpt #: 91 total cpu time spent up to now is 368.8 secs Computing kpt #: 92 total cpu time spent up to now is 372.5 secs Computing kpt #: 93 total cpu time spent up to now is 377.2 secs Computing kpt #: 94 total cpu time spent up to now is 382.4 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.7 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.1 secs Computing kpt #: 97 total cpu time spent up to now is 398.5 secs Computing kpt #: 98 total cpu time spent up to now is 402.3 secs Computing kpt #: 99 total cpu time spent up to now is 406.0 secs Computing kpt #: 100 total cpu time spent up to now is 409.8 secs Computing kpt #: 101 total cpu time spent up to now is 413.4 secs Computing kpt #: 102 total cpu time spent up to now is 417.2 secs Computing kpt #: 103 total cpu time spent up to now is 420.9 secs Computing kpt #: 104 total cpu time spent up to now is 424.5 secs Computing kpt #: 105 total cpu time spent up to now is 428.2 secs Computing kpt #: 106 total cpu time spent up to now is 431.8 secs Computing kpt #: 107 total cpu time spent up to now is 435.5 secs Computing kpt #: 108 total cpu time spent up to now is 439.1 secs Computing kpt #: 109 total cpu time spent up to now is 442.8 secs Computing kpt #: 110 total cpu time spent up to now is 446.5 secs Computing kpt #: 111 total cpu time spent up to now is 450.2 secs Computing kpt #: 112 total cpu time spent up to now is 453.9 secs Computing kpt #: 113 total cpu time spent up to now is 458.3 secs Computing kpt #: 114 total cpu time spent up to now is 462.9 secs Computing kpt #: 115 total cpu time spent up to now is 467.1 secs Computing kpt #: 116 total cpu time spent up to now is 472.5 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 478.3 secs Computing kpt #: 118 total cpu time spent up to now is 483.4 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 488.8 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 494.2 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 500.2 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.5 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 511.0 secs Computing kpt #: 124 total cpu time spent up to now is 516.1 secs Computing kpt #: 125 total cpu time spent up to now is 521.2 secs Computing kpt #: 126 total cpu time spent up to now is 525.8 secs Computing kpt #: 127 total cpu time spent up to now is 530.0 secs Computing kpt #: 128 total cpu time spent up to now is 533.7 secs Computing kpt #: 129 total cpu time spent up to now is 537.4 secs Computing kpt #: 130 total cpu time spent up to now is 541.0 secs Computing kpt #: 131 total cpu time spent up to now is 544.5 secs Computing kpt #: 132 total cpu time spent up to now is 548.1 secs Computing kpt #: 133 total cpu time spent up to now is 551.7 secs Computing kpt #: 134 total cpu time spent up to now is 555.2 secs Computing kpt #: 135 total cpu time spent up to now is 558.7 secs Computing kpt #: 136 total cpu time spent up to now is 562.2 secs Computing kpt #: 137 total cpu time spent up to now is 565.7 secs Computing kpt #: 138 total cpu time spent up to now is 569.3 secs Computing kpt #: 139 total cpu time spent up to now is 573.2 secs Computing kpt #: 140 total cpu time spent up to now is 577.1 secs Computing kpt #: 141 total cpu time spent up to now is 581.1 secs Computing kpt #: 142 total cpu time spent up to now is 584.7 secs Computing kpt #: 143 total cpu time spent up to now is 588.5 secs Computing kpt #: 144 total cpu time spent up to now is 592.4 secs Computing kpt #: 145 total cpu time spent up to now is 595.9 secs Computing kpt #: 146 total cpu time spent up to now is 599.4 secs Computing kpt #: 147 total cpu time spent up to now is 602.7 secs Computing kpt #: 148 total cpu time spent up to now is 606.0 secs Computing kpt #: 149 total cpu time spent up to now is 609.0 secs Computing kpt #: 150 total cpu time spent up to now is 611.9 secs Computing kpt #: 151 total cpu time spent up to now is 614.5 secs Computing kpt #: 152 total cpu time spent up to now is 617.2 secs Computing kpt #: 153 total cpu time spent up to now is 619.9 secs Computing kpt #: 154 total cpu time spent up to now is 622.7 secs Computing kpt #: 155 total cpu time spent up to now is 625.6 secs Computing kpt #: 156 total cpu time spent up to now is 628.5 secs Computing kpt #: 157 total cpu time spent up to now is 631.5 secs Computing kpt #: 158 total cpu time spent up to now is 635.0 secs Computing kpt #: 159 total cpu time spent up to now is 638.6 secs Computing kpt #: 160 total cpu time spent up to now is 642.0 secs Computing kpt #: 161 total cpu time spent up to now is 645.4 secs Computing kpt #: 162 total cpu time spent up to now is 648.4 secs Computing kpt #: 163 total cpu time spent up to now is 651.3 secs Computing kpt #: 164 total cpu time spent up to now is 654.3 secs Computing kpt #: 165 total cpu time spent up to now is 657.2 secs Computing kpt #: 166 total cpu time spent up to now is 660.1 secs Computing kpt #: 167 total cpu time spent up to now is 663.0 secs Computing kpt #: 168 total cpu time spent up to now is 665.9 secs Computing kpt #: 169 total cpu time spent up to now is 668.8 secs Computing kpt #: 170 total cpu time spent up to now is 671.6 secs Computing kpt #: 171 total cpu time spent up to now is 674.4 secs Computing kpt #: 172 total cpu time spent up to now is 677.1 secs Computing kpt #: 173 total cpu time spent up to now is 679.7 secs Computing kpt #: 174 total cpu time spent up to now is 682.3 secs Computing kpt #: 175 total cpu time spent up to now is 684.9 secs Computing kpt #: 176 total cpu time spent up to now is 687.7 secs Computing kpt #: 177 total cpu time spent up to now is 690.6 secs Computing kpt #: 178 total cpu time spent up to now is 693.6 secs Computing kpt #: 179 total cpu time spent up to now is 696.6 secs Computing kpt #: 180 total cpu time spent up to now is 699.7 secs Computing kpt #: 181 total cpu time spent up to now is 702.7 secs Computing kpt #: 182 total cpu time spent up to now is 705.9 secs Computing kpt #: 183 total cpu time spent up to now is 709.0 secs Computing kpt #: 184 total cpu time spent up to now is 712.1 secs Computing kpt #: 185 total cpu time spent up to now is 715.2 secs Computing kpt #: 186 total cpu time spent up to now is 718.6 secs Computing kpt #: 187 total cpu time spent up to now is 722.1 secs Computing kpt #: 188 total cpu time spent up to now is 725.2 secs Computing kpt #: 189 total cpu time spent up to now is 728.4 secs Computing kpt #: 190 total cpu time spent up to now is 731.8 secs Computing kpt #: 191 total cpu time spent up to now is 735.3 secs Computing kpt #: 192 total cpu time spent up to now is 738.8 secs Computing kpt #: 193 total cpu time spent up to now is 742.4 secs Computing kpt #: 194 total cpu time spent up to now is 745.9 secs Computing kpt #: 195 total cpu time spent up to now is 749.5 secs Computing kpt #: 196 total cpu time spent up to now is 753.1 secs Computing kpt #: 197 total cpu time spent up to now is 756.7 secs Computing kpt #: 198 total cpu time spent up to now is 760.4 secs Computing kpt #: 199 total cpu time spent up to now is 764.1 secs Computing kpt #: 200 total cpu time spent up to now is 767.9 secs Computing kpt #: 201 total cpu time spent up to now is 772.8 secs Computing kpt #: 202 total cpu time spent up to now is 777.2 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 782.9 secs Computing kpt #: 204 total cpu time spent up to now is 788.3 secs Computing kpt #: 205 total cpu time spent up to now is 792.7 secs Computing kpt #: 206 total cpu time spent up to now is 796.5 secs Computing kpt #: 207 total cpu time spent up to now is 800.8 secs Computing kpt #: 208 total cpu time spent up to now is 804.5 secs Computing kpt #: 209 total cpu time spent up to now is 808.2 secs Computing kpt #: 210 total cpu time spent up to now is 812.0 secs Computing kpt #: 211 total cpu time spent up to now is 815.7 secs Computing kpt #: 212 total cpu time spent up to now is 819.3 secs Computing kpt #: 213 total cpu time spent up to now is 823.0 secs Computing kpt #: 214 total cpu time spent up to now is 826.6 secs Computing kpt #: 215 total cpu time spent up to now is 830.0 secs Computing kpt #: 216 total cpu time spent up to now is 833.7 secs Computing kpt #: 217 total cpu time spent up to now is 837.4 secs Computing kpt #: 218 total cpu time spent up to now is 841.0 secs Computing kpt #: 219 total cpu time spent up to now is 844.7 secs Computing kpt #: 220 total cpu time spent up to now is 848.5 secs Computing kpt #: 221 total cpu time spent up to now is 852.4 secs Computing kpt #: 222 total cpu time spent up to now is 856.2 secs Computing kpt #: 223 total cpu time spent up to now is 860.6 secs Computing kpt #: 224 total cpu time spent up to now is 865.3 secs Computing kpt #: 225 total cpu time spent up to now is 870.0 secs Computing kpt #: 226 total cpu time spent up to now is 874.7 secs Computing kpt #: 227 total cpu time spent up to now is 879.3 secs Computing kpt #: 228 total cpu time spent up to now is 884.4 secs Computing kpt #: 229 total cpu time spent up to now is 889.1 secs Computing kpt #: 230 total cpu time spent up to now is 893.9 secs Computing kpt #: 231 total cpu time spent up to now is 898.6 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 904.0 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 909.4 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 914.8 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 920.3 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 925.7 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 931.1 secs Computing kpt #: 238 total cpu time spent up to now is 936.5 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 941.9 secs Computing kpt #: 240 total cpu time spent up to now is 947.3 secs Computing kpt #: 241 total cpu time spent up to now is 952.5 secs Computing kpt #: 242 total cpu time spent up to now is 957.7 secs Computing kpt #: 243 total cpu time spent up to now is 962.5 secs Computing kpt #: 244 total cpu time spent up to now is 967.3 secs Computing kpt #: 245 total cpu time spent up to now is 972.0 secs Computing kpt #: 246 total cpu time spent up to now is 976.6 secs Computing kpt #: 247 total cpu time spent up to now is 981.4 secs Computing kpt #: 248 total cpu time spent up to now is 986.0 secs Computing kpt #: 249 total cpu time spent up to now is 990.3 secs Computing kpt #: 250 total cpu time spent up to now is 994.5 secs Computing kpt #: 251 total cpu time spent up to now is 998.9 secs Computing kpt #: 252 total cpu time spent up to now is 1003.1 secs Computing kpt #: 253 total cpu time spent up to now is 1007.2 secs Computing kpt #: 254 total cpu time spent up to now is 1011.3 secs Computing kpt #: 255 total cpu time spent up to now is 1015.6 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1020.9 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1026.4 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1031.6 secs Computing kpt #: 259 total cpu time spent up to now is 1036.8 secs Computing kpt #: 260 total cpu time spent up to now is 1041.5 secs Computing kpt #: 261 total cpu time spent up to now is 1046.2 secs Computing kpt #: 262 total cpu time spent up to now is 1050.8 secs Computing kpt #: 263 total cpu time spent up to now is 1055.2 secs Computing kpt #: 264 total cpu time spent up to now is 1059.5 secs Computing kpt #: 265 total cpu time spent up to now is 1063.7 secs Computing kpt #: 266 total cpu time spent up to now is 1067.8 secs Computing kpt #: 267 total cpu time spent up to now is 1071.9 secs Computing kpt #: 268 total cpu time spent up to now is 1076.0 secs Computing kpt #: 269 total cpu time spent up to now is 1079.4 secs Computing kpt #: 270 total cpu time spent up to now is 1082.9 secs Computing kpt #: 271 total cpu time spent up to now is 1086.5 secs Computing kpt #: 272 total cpu time spent up to now is 1090.0 secs Computing kpt #: 273 total cpu time spent up to now is 1093.7 secs Computing kpt #: 274 total cpu time spent up to now is 1097.9 secs Computing kpt #: 275 total cpu time spent up to now is 1102.4 secs Computing kpt #: 276 total cpu time spent up to now is 1106.6 secs Computing kpt #: 277 total cpu time spent up to now is 1110.7 secs Computing kpt #: 278 total cpu time spent up to now is 1114.9 secs Computing kpt #: 279 total cpu time spent up to now is 1119.0 secs Computing kpt #: 280 total cpu time spent up to now is 1123.2 secs Computing kpt #: 281 total cpu time spent up to now is 1127.4 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1132.6 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1137.9 secs Computing kpt #: 284 total cpu time spent up to now is 1142.1 secs Computing kpt #: 285 total cpu time spent up to now is 1146.2 secs Computing kpt #: 286 total cpu time spent up to now is 1150.4 secs Computing kpt #: 287 total cpu time spent up to now is 1154.5 secs Computing kpt #: 288 total cpu time spent up to now is 1158.8 secs Computing kpt #: 289 total cpu time spent up to now is 1163.2 secs Computing kpt #: 290 total cpu time spent up to now is 1167.8 secs Computing kpt #: 291 total cpu time spent up to now is 1173.1 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1178.5 secs Computing kpt #: 293 total cpu time spent up to now is 1182.8 secs Computing kpt #: 294 total cpu time spent up to now is 1187.1 secs Computing kpt #: 295 total cpu time spent up to now is 1191.3 secs Computing kpt #: 296 total cpu time spent up to now is 1195.4 secs Computing kpt #: 297 total cpu time spent up to now is 1199.5 secs Computing kpt #: 298 total cpu time spent up to now is 1203.6 secs Computing kpt #: 299 total cpu time spent up to now is 1207.6 secs Computing kpt #: 300 total cpu time spent up to now is 1211.4 secs Computing kpt #: 301 total cpu time spent up to now is 1215.2 secs Computing kpt #: 302 total cpu time spent up to now is 1218.8 secs Computing kpt #: 303 total cpu time spent up to now is 1222.5 secs Computing kpt #: 304 total cpu time spent up to now is 1226.2 secs Computing kpt #: 305 total cpu time spent up to now is 1230.0 secs Computing kpt #: 306 total cpu time spent up to now is 1233.5 secs Computing kpt #: 307 total cpu time spent up to now is 1236.6 secs Computing kpt #: 308 total cpu time spent up to now is 1239.8 secs Computing kpt #: 309 total cpu time spent up to now is 1242.9 secs Computing kpt #: 310 total cpu time spent up to now is 1246.0 secs Computing kpt #: 311 total cpu time spent up to now is 1249.1 secs Computing kpt #: 312 total cpu time spent up to now is 1252.2 secs Computing kpt #: 313 total cpu time spent up to now is 1255.3 secs Computing kpt #: 314 total cpu time spent up to now is 1258.4 secs Computing kpt #: 315 total cpu time spent up to now is 1261.5 secs Computing kpt #: 316 total cpu time spent up to now is 1264.6 secs Computing kpt #: 317 total cpu time spent up to now is 1267.7 secs Computing kpt #: 318 total cpu time spent up to now is 1270.8 secs Computing kpt #: 319 total cpu time spent up to now is 1273.9 secs Computing kpt #: 320 total cpu time spent up to now is 1277.3 secs Computing kpt #: 321 total cpu time spent up to now is 1280.5 secs Computing kpt #: 322 total cpu time spent up to now is 1283.9 secs Computing kpt #: 323 total cpu time spent up to now is 1287.3 secs Computing kpt #: 324 total cpu time spent up to now is 1290.9 secs Computing kpt #: 325 total cpu time spent up to now is 1294.4 secs Computing kpt #: 326 total cpu time spent up to now is 1298.1 secs Computing kpt #: 327 total cpu time spent up to now is 1301.5 secs Computing kpt #: 328 total cpu time spent up to now is 1304.6 secs Computing kpt #: 329 total cpu time spent up to now is 1307.7 secs Computing kpt #: 330 total cpu time spent up to now is 1310.7 secs Computing kpt #: 331 total cpu time spent up to now is 1313.7 secs Computing kpt #: 332 total cpu time spent up to now is 1316.8 secs Computing kpt #: 333 total cpu time spent up to now is 1319.8 secs Computing kpt #: 334 total cpu time spent up to now is 1322.8 secs Computing kpt #: 335 total cpu time spent up to now is 1325.8 secs Computing kpt #: 336 total cpu time spent up to now is 1328.7 secs Computing kpt #: 337 total cpu time spent up to now is 1331.6 secs Computing kpt #: 338 total cpu time spent up to now is 1334.2 secs Computing kpt #: 339 total cpu time spent up to now is 1337.8 secs Computing kpt #: 340 total cpu time spent up to now is 1341.6 secs Computing kpt #: 341 total cpu time spent up to now is 1345.5 secs Computing kpt #: 342 total cpu time spent up to now is 1349.1 secs Computing kpt #: 343 total cpu time spent up to now is 1352.6 secs Computing kpt #: 344 total cpu time spent up to now is 1356.2 secs Computing kpt #: 345 total cpu time spent up to now is 1359.8 secs Computing kpt #: 346 total cpu time spent up to now is 1363.3 secs Computing kpt #: 347 total cpu time spent up to now is 1366.8 secs Computing kpt #: 348 total cpu time spent up to now is 1370.4 secs Computing kpt #: 349 total cpu time spent up to now is 1373.9 secs Computing kpt #: 350 total cpu time spent up to now is 1377.4 secs ethr = 2.38E-08, avg # of iterations = 63.2 total cpu time spent up to now is 1377.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0365 -1.0365 -0.1808 -0.1808 5.6362 5.6362 8.1630 8.1630 8.7789 8.7789 8.9198 8.9198 8.9271 8.9271 9.5205 9.5205 9.6338 9.6338 9.8158 9.8158 10.5429 10.5429 10.5837 10.5837 10.7232 10.7232 11.9486 11.9486 12.0469 12.0469 12.4754 12.4754 13.5822 13.5822 k = 0.0000 0.0000 0.0249 ( 8691 PWs) bands (ev): -44.8804 -44.8804 -44.6760 -44.6760 -21.7191 -21.7191 -21.4655 -21.4655 -21.1524 -21.1524 -20.9376 -20.9376 -20.7403 -20.7403 -20.4863 -20.4863 -1.0353 -1.0353 -0.1801 -0.1801 5.6375 5.6375 8.1625 8.1625 8.7758 8.7758 8.9163 8.9163 8.9261 8.9261 9.5256 9.5256 9.6252 9.6252 9.8049 9.8049 10.5579 10.5579 10.5861 10.5861 10.7239 10.7239 11.9442 11.9442 12.0429 12.0429 12.4788 12.4788 13.5875 13.5875 k = 0.0000 0.0000 0.0497 ( 8687 PWs) bands (ev): -44.8802 -44.8802 -44.6762 -44.6762 -21.7187 -21.7187 -21.4655 -21.4655 -21.1518 -21.1518 -20.9376 -20.9376 -20.7407 -20.7407 -20.4870 -20.4870 -1.0318 -1.0318 -0.1780 -0.1780 5.6414 5.6414 8.1609 8.1609 8.7668 8.7668 8.9062 8.9062 8.9230 8.9230 9.5403 9.5403 9.5997 9.5997 9.7753 9.7753 10.5892 10.5892 10.6039 10.6039 10.7260 10.7260 11.9284 11.9284 12.0347 12.0347 12.4888 12.4888 13.6024 13.6024 k = 0.0000 0.0000 0.0746 ( 8687 PWs) bands (ev): -44.8798 -44.8798 -44.6766 -44.6766 -21.7180 -21.7180 -21.4656 -21.4656 -21.1509 -21.1509 -20.9377 -20.9377 -20.7414 -20.7414 -20.4883 -20.4883 -1.0259 -1.0259 -0.1745 -0.1745 5.6480 5.6480 8.1582 8.1582 8.7517 8.7517 8.8904 8.8904 8.9173 8.9173 9.5581 9.5581 9.5636 9.5636 9.7340 9.7340 10.6008 10.6008 10.6660 10.6660 10.7293 10.7293 11.8964 11.8964 12.0294 12.0294 12.5052 12.5052 13.6239 13.6239 k = 0.0000 0.0000 0.0995 ( 8695 PWs) bands (ev): -44.8793 -44.8793 -44.6771 -44.6771 -21.7170 -21.7170 -21.4656 -21.4656 -21.1495 -21.1495 -20.9378 -20.9378 -20.7425 -20.7425 -20.4901 -20.4901 -1.0177 -1.0177 -0.1696 -0.1696 5.6572 5.6572 8.1545 8.1545 8.7309 8.7309 8.8700 8.8700 8.9084 8.9084 9.5026 9.5026 9.5935 9.5935 9.6875 9.6875 10.6139 10.6139 10.7324 10.7324 10.7455 10.7455 11.8481 11.8481 12.0303 12.0303 12.5274 12.5274 13.6481 13.6481 k = 0.0000 0.0000 0.1244 ( 8695 PWs) bands (ev): -44.8787 -44.8787 -44.6777 -44.6777 -21.7158 -21.7158 -21.4657 -21.4657 -21.1478 -21.1478 -20.9379 -20.9379 -20.7439 -20.7439 -20.4923 -20.4923 -1.0071 -1.0071 -0.1634 -0.1634 5.6690 5.6690 8.1498 8.1498 8.7049 8.7049 8.8458 8.8458 8.8952 8.8952 9.4361 9.4361 9.6266 9.6266 9.6422 9.6422 10.6294 10.6294 10.7381 10.7381 10.8331 10.8331 11.7880 11.7880 12.0365 12.0365 12.5546 12.5546 13.6708 13.6708 k = 0.0000 0.0000 0.1492 ( 8695 PWs) bands (ev): -44.8779 -44.8779 -44.6785 -44.6785 -21.7144 -21.7144 -21.4659 -21.4659 -21.1457 -21.1457 -20.9381 -20.9381 -20.7457 -20.7457 -20.4949 -20.4949 -0.9943 -0.9943 -0.1559 -0.1559 5.6834 5.6834 8.1442 8.1442 8.6745 8.6745 8.8180 8.8180 8.8764 8.8764 9.3620 9.3620 9.5931 9.5931 9.6692 9.6692 10.6467 10.6467 10.7433 10.7433 10.9282 10.9282 11.7209 11.7209 12.0468 12.0468 12.5861 12.5861 13.6886 13.6886 k = 0.0000 0.0000 0.1741 ( 8679 PWs) bands (ev): -44.8769 -44.8769 -44.6794 -44.6794 -21.7127 -21.7127 -21.4660 -21.4660 -21.1432 -21.1432 -20.9382 -20.9382 -20.7478 -20.7478 -20.4980 -20.4980 -0.9793 -0.9793 -0.1471 -0.1471 5.7003 5.7003 8.1379 8.1379 8.6406 8.6406 8.7867 8.7867 8.8504 8.8504 9.2831 9.2831 9.5514 9.5514 9.7110 9.7110 10.6656 10.6656 10.7486 10.7486 11.0279 11.0279 11.6502 11.6502 12.0603 12.0603 12.6211 12.6211 13.6993 13.6993 k = 0.0000 0.0000 0.1990 ( 8673 PWs) bands (ev): -44.8759 -44.8759 -44.6805 -44.6805 -21.7108 -21.7108 -21.4663 -21.4663 -21.1404 -21.1404 -20.9382 -20.9382 -20.7503 -20.7503 -20.5013 -20.5013 -0.9621 -0.9621 -0.1371 -0.1371 5.7198 5.7198 8.1307 8.1307 8.6039 8.6039 8.7516 8.7516 8.8158 8.8158 9.2013 9.2013 9.5158 9.5158 9.7548 9.7548 10.6858 10.6858 10.7538 10.7538 11.1306 11.1306 11.5788 11.5788 12.0767 12.0767 12.6586 12.6586 13.7028 13.7028 k = 0.0000 0.0000 0.2239 ( 8671 PWs) bands (ev): -44.8747 -44.8747 -44.6816 -44.6816 -21.7088 -21.7088 -21.4665 -21.4665 -21.1372 -21.1372 -20.9383 -20.9383 -20.7532 -20.7532 -20.5049 -20.5049 -0.9428 -0.9428 -0.1260 -0.1260 5.7417 5.7417 8.1228 8.1228 8.5653 8.5653 8.7125 8.7125 8.7720 8.7720 9.1178 9.1178 9.4880 9.4880 9.7997 9.7997 10.7070 10.7070 10.7589 10.7589 11.2352 11.2352 11.5087 11.5087 12.0956 12.0956 12.6980 12.6980 13.7007 13.7007 k = 0.0000 0.0000 0.2487 ( 8673 PWs) bands (ev): -44.8733 -44.8733 -44.6829 -44.6829 -21.7067 -21.7067 -21.4668 -21.4668 -21.1337 -21.1337 -20.9383 -20.9383 -20.7566 -20.7566 -20.5086 -20.5086 -0.9214 -0.9214 -0.1138 -0.1138 5.7660 5.7660 8.1141 8.1141 8.5253 8.5253 8.6692 8.6692 8.7190 8.7190 9.0334 9.0334 9.4688 9.4688 9.8449 9.8449 10.7286 10.7286 10.7644 10.7644 11.3406 11.3406 11.4416 11.4416 12.1169 12.1169 12.7386 12.7386 13.6949 13.6949 k = 0.0000 0.0000 0.2736 ( 8685 PWs) bands (ev): -44.8719 -44.8719 -44.6844 -44.6844 -21.7044 -21.7044 -21.4672 -21.4672 -21.1298 -21.1298 -20.9381 -20.9381 -20.7605 -20.7605 -20.5125 -20.5125 -0.8981 -0.8981 -0.1005 -0.1005 5.7927 5.7927 8.1046 8.1046 8.4842 8.4842 8.6213 8.6213 8.6583 8.6583 8.9488 8.9488 9.4583 9.4583 9.8899 9.8899 10.7480 10.7480 10.7725 10.7725 11.3760 11.3760 11.4487 11.4487 12.1405 12.1405 12.7798 12.7798 13.6869 13.6869 k = 0.0000 0.0000 0.2985 ( 8685 PWs) bands (ev): -44.8703 -44.8703 -44.6859 -44.6859 -21.7020 -21.7020 -21.4677 -21.4677 -21.1256 -21.1256 -20.9379 -20.9379 -20.7649 -20.7649 -20.5165 -20.5165 -0.8728 -0.8728 -0.0863 -0.0863 5.8218 5.8218 8.0941 8.0941 8.4420 8.4420 8.5671 8.5671 8.5939 8.5939 8.8642 8.8642 9.4559 9.4559 9.9344 9.9344 10.7596 10.7596 10.7891 10.7891 11.3171 11.3171 11.5541 11.5541 12.1665 12.1665 12.8211 12.8211 13.6776 13.6776 k = 0.0000 0.0000 0.3234 ( 8693 PWs) bands (ev): -44.8686 -44.8686 -44.6876 -44.6876 -21.6996 -21.6996 -21.4682 -21.4682 -21.1212 -21.1212 -20.9374 -20.9374 -20.7698 -20.7698 -20.5205 -20.5205 -0.8457 -0.8457 -0.0713 -0.0713 5.8531 5.8531 8.0823 8.0823 8.3986 8.3986 8.5014 8.5014 8.5334 8.5334 8.7800 8.7800 9.4606 9.4606 9.9778 9.9778 10.7647 10.7647 10.8127 10.8127 11.2620 11.2620 11.6593 11.6593 12.1947 12.1947 12.8622 12.8622 13.6677 13.6678 k = 0.0000 0.0000 0.3482 ( 8689 PWs) bands (ev): -44.8668 -44.8668 -44.6893 -44.6893 -21.6972 -21.6972 -21.4689 -21.4689 -21.1166 -21.1166 -20.9367 -20.9367 -20.7753 -20.7753 -20.5244 -20.5244 -0.8169 -0.8169 -0.0555 -0.0555 5.8866 5.8866 8.0686 8.0686 8.3531 8.3531 8.4266 8.4266 8.4782 8.4782 8.6966 8.6966 9.4712 9.4712 10.0198 10.0198 10.7674 10.7674 10.8390 10.8390 11.2114 11.2114 11.7632 11.7632 12.2251 12.2251 12.9028 12.9028 13.6579 13.6579 k = 0.0000 0.0000 0.3731 ( 8695 PWs) bands (ev): -44.8648 -44.8648 -44.6912 -44.6912 -21.6948 -21.6948 -21.4696 -21.4696 -21.1117 -21.1117 -20.9358 -20.9358 -20.7813 -20.7813 -20.5281 -20.5281 -0.7864 -0.7864 -0.0391 -0.0391 5.9223 5.9223 8.0520 8.0520 8.3021 8.3021 8.3516 8.3516 8.4256 8.4256 8.6143 8.6143 9.4870 9.4870 10.0602 10.0602 10.7692 10.7692 10.8667 10.8667 11.1649 11.1649 11.8651 11.8651 12.2577 12.2577 12.9427 12.9427 13.6482 13.6483 k = 0.0000 0.0000 0.3980 ( 8695 PWs) bands (ev): -44.8628 -44.8628 -44.6932 -44.6932 -21.6924 -21.6924 -21.4705 -21.4705 -21.1068 -21.1068 -20.9345 -20.9345 -20.7879 -20.7879 -20.5316 -20.5316 -0.7545 -0.7545 -0.0221 -0.0221 5.9601 5.9601 8.0311 8.0311 8.2364 8.2364 8.2888 8.2888 8.3760 8.3760 8.5334 8.5334 9.5070 9.5070 10.0986 10.0986 10.7705 10.7705 10.8953 10.8953 11.1224 11.1224 11.9643 11.9643 12.2924 12.2924 12.9817 12.9817 13.6387 13.6387 k = 0.0000 0.0000 0.4229 ( 8687 PWs) bands (ev): -44.8607 -44.8607 -44.6952 -44.6952 -21.6901 -21.6901 -21.4715 -21.4715 -21.1018 -21.1018 -20.9329 -20.9329 -20.7950 -20.7950 -20.5350 -20.5350 -0.7211 -0.7211 -0.0047 -0.0047 6.0000 6.0000 8.0038 8.0038 8.1565 8.1565 8.2407 8.2407 8.3297 8.3297 8.4544 8.4544 9.5307 9.5307 10.1349 10.1349 10.7714 10.7714 10.9246 10.9246 11.0833 11.0833 12.0601 12.0601 12.3292 12.3292 13.0195 13.0195 13.6284 13.6284 k = 0.0000 0.0000 0.4477 ( 8681 PWs) bands (ev): -44.8585 -44.8585 -44.6974 -44.6974 -21.6879 -21.6879 -21.4727 -21.4727 -21.0969 -21.0969 -20.9307 -20.9307 -20.8026 -20.8026 -20.5380 -20.5380 -0.6864 -0.6864 0.0131 0.0131 6.0417 6.0417 7.9680 7.9680 8.0718 8.0718 8.2008 8.2008 8.2870 8.2870 8.3779 8.3779 9.5574 9.5574 10.1689 10.1689 10.7720 10.7720 10.9542 10.9542 11.0473 11.0473 12.1517 12.1517 12.3682 12.3682 13.0560 13.0560 13.6163 13.6163 k = 0.0000 0.0000 0.4726 ( 8679 PWs) bands (ev): -44.8562 -44.8562 -44.6996 -44.6996 -21.6858 -21.6858 -21.4740 -21.4740 -21.0921 -21.0921 -20.9280 -20.9280 -20.8107 -20.8107 -20.5407 -20.5407 -0.6506 -0.6506 0.0311 0.0311 6.0854 6.0854 7.9228 7.9228 7.9861 7.9861 8.1670 8.1670 8.2473 8.2473 8.3054 8.3054 9.5868 9.5868 10.2003 10.2003 10.7725 10.7725 10.9833 10.9833 11.0143 11.0143 12.2380 12.2380 12.4092 12.4092 13.0909 13.0909 13.6013 13.6013 k = 0.0000 0.0000 0.4975 ( 8675 PWs) bands (ev): -44.8538 -44.8538 -44.7019 -44.7019 -21.6839 -21.6839 -21.4755 -21.4755 -21.0875 -21.0875 -20.9247 -20.9247 -20.8192 -20.8192 -20.5431 -20.5431 -0.6138 -0.6138 0.0491 0.0491 6.1309 6.1309 7.8689 7.8689 7.9013 7.9013 8.1354 8.1354 8.2091 8.2091 8.2410 8.2410 9.6184 9.6184 10.2291 10.2291 10.7729 10.7729 10.9800 10.9800 11.0155 11.0155 12.3180 12.3180 12.4523 12.4523 13.1239 13.1239 13.5837 13.5837 k = 0.0000 0.0000 0.5224 ( 8667 PWs) bands (ev): -44.8513 -44.8513 -44.7043 -44.7043 -21.6821 -21.6821 -21.4772 -21.4772 -21.0832 -21.0832 -20.9208 -20.9208 -20.8281 -20.8281 -20.5451 -20.5451 -0.5761 -0.5761 0.0671 0.0671 6.1781 6.1781 7.8056 7.8056 7.8214 7.8214 8.0966 8.0966 8.1713 8.1713 8.1933 8.1933 9.6521 9.6521 10.2552 10.2552 10.7733 10.7733 10.9502 10.9502 11.0445 11.0445 12.3905 12.3905 12.4974 12.4974 13.1546 13.1546 13.5642 13.5642 k = 0.0000 0.0000 0.5472 ( 8665 PWs) bands (ev): -44.8488 -44.8488 -44.7067 -44.7067 -21.6805 -21.6805 -21.4791 -21.4791 -21.0793 -21.0793 -20.9162 -20.9162 -20.8371 -20.8371 -20.5468 -20.5468 -0.5376 -0.5376 0.0850 0.0850 6.2270 6.2270 7.7286 7.7286 7.7536 7.7536 8.0428 8.0428 8.1402 8.1402 8.1621 8.1621 9.6873 9.6873 10.2785 10.2785 10.7736 10.7736 10.9208 10.9208 11.0736 11.0736 12.4543 12.4543 12.5444 12.5444 13.1826 13.1826 13.5437 13.5437 k = 0.0000 0.0000 0.5721 ( 8661 PWs) bands (ev): -44.8462 -44.8462 -44.7092 -44.7092 -21.6792 -21.6792 -21.4813 -21.4813 -21.0759 -21.0759 -20.9110 -20.9110 -20.8462 -20.8462 -20.5481 -20.5481 -0.4985 -0.4985 0.1025 0.1025 6.2774 6.2774 7.6487 7.6487 7.6895 7.6895 7.9801 7.9801 8.1134 8.1134 8.1418 8.1418 9.7240 9.7240 10.2991 10.2991 10.7738 10.7738 10.8919 10.8919 11.1021 11.1021 12.5082 12.5082 12.5931 12.5931 13.2076 13.2076 13.5229 13.5229 k = 0.0000 0.0000 0.5970 ( 8663 PWs) bands (ev): -44.8436 -44.8436 -44.7117 -44.7117 -21.6780 -21.6780 -21.4837 -21.4837 -21.0729 -21.0729 -20.9055 -20.9055 -20.8550 -20.8550 -20.5491 -20.5491 -0.4591 -0.4591 0.1197 0.1197 6.3294 6.3294 7.5703 7.5703 7.6265 7.6265 7.9150 7.9150 8.0870 8.0870 8.1292 8.1292 9.7619 9.7619 10.3169 10.3169 10.7738 10.7738 10.8634 10.8634 11.1298 11.1298 12.5507 12.5507 12.6432 12.6432 13.2289 13.2289 13.5023 13.5023 k = 0.0000 0.0000 0.6219 ( 8637 PWs) bands (ev): -44.8409 -44.8409 -44.7143 -44.7143 -21.6771 -21.6771 -21.4863 -21.4863 -21.0705 -21.0705 -20.9003 -20.9003 -20.8627 -20.8627 -20.5498 -20.5498 -0.4193 -0.4193 0.1363 0.1363 6.3827 6.3827 7.4945 7.4945 7.5650 7.5650 7.8500 7.8500 8.0614 8.0614 8.1207 8.1207 9.8007 9.8007 10.3321 10.3321 10.7734 10.7734 10.8351 10.8351 11.1564 11.1564 12.5805 12.5805 12.6947 12.6947 13.2462 13.2462 13.4825 13.4825 k = 0.0000 0.0000 0.6467 ( 8648 PWs) bands (ev): -44.8382 -44.8382 -44.7169 -44.7169 -21.6764 -21.6764 -21.4892 -21.4892 -21.0687 -21.0687 -20.8974 -20.8974 -20.8673 -20.8673 -20.5501 -20.5501 -0.3794 -0.3794 0.1523 0.1523 6.4374 6.4374 7.4215 7.4215 7.5059 7.5059 7.7859 7.7859 8.0369 8.0369 8.1144 8.1144 9.8401 9.8401 10.3447 10.3447 10.7722 10.7722 10.8071 10.8071 11.1819 11.1819 12.5964 12.5964 12.7478 12.7478 13.2594 13.2594 13.4639 13.4639 k = 0.0000 0.0000 0.6716 ( 8660 PWs) bands (ev): -44.8355 -44.8355 -44.7195 -44.7195 -21.6759 -21.6759 -21.4924 -21.4924 -21.0674 -21.0674 -20.8995 -20.8995 -20.8662 -20.8662 -20.5502 -20.5502 -0.3395 -0.3395 0.1676 0.1676 6.4932 6.4932 7.3517 7.3517 7.4497 7.4497 7.7232 7.7232 8.0138 8.0138 8.1095 8.1095 9.8799 9.8799 10.3549 10.3549 10.7667 10.7667 10.7826 10.7826 11.2061 11.2061 12.5978 12.5978 12.8025 12.8025 13.2683 13.2683 13.4469 13.4469 k = 0.0000 0.0000 0.6965 ( 8664 PWs) bands (ev): -44.8327 -44.8327 -44.7222 -44.7222 -21.6757 -21.6757 -21.4959 -21.4959 -21.0666 -21.0666 -20.9060 -20.9060 -20.8599 -20.8599 -20.5499 -20.5499 -0.2998 -0.2998 0.1820 0.1820 6.5502 6.5502 7.2854 7.2854 7.3970 7.3970 7.6621 7.6621 7.9920 7.9920 8.1056 8.1056 9.9198 9.9198 10.3627 10.3627 10.7444 10.7444 10.7738 10.7738 11.2289 11.2289 12.5850 12.5850 12.8586 12.8586 13.2733 13.2733 13.4319 13.4320 k = 0.0000 0.0000 0.7214 ( 8662 PWs) bands (ev): -44.8299 -44.8299 -44.7248 -44.7248 -21.6757 -21.6757 -21.4996 -21.4996 -21.0662 -21.0662 -20.9142 -20.9142 -20.8510 -20.8510 -20.5494 -20.5494 -0.2604 -0.2604 0.1955 0.1955 6.6082 6.6082 7.2226 7.2226 7.3481 7.3481 7.6026 7.6026 7.9714 7.9714 8.1023 8.1023 9.9594 9.9594 10.3684 10.3684 10.7155 10.7155 10.7703 10.7703 11.2505 11.2505 12.5589 12.5589 12.9161 12.9161 13.2749 13.2749 13.4192 13.4192 k = 0.0000 0.0000 0.7462 ( 8662 PWs) bands (ev): -44.8271 -44.8271 -44.7275 -44.7275 -21.6760 -21.6760 -21.5036 -21.5036 -21.0663 -21.0663 -20.9230 -20.9230 -20.8408 -20.8408 -20.5486 -20.5486 -0.2215 -0.2215 0.2080 0.2080 6.6669 6.6669 7.1636 7.1636 7.3033 7.3033 7.5449 7.5449 7.9522 7.9522 8.0993 8.0993 9.9985 9.9985 10.3722 10.3722 10.6853 10.6853 10.7667 10.7667 11.2710 11.2710 12.5211 12.5211 12.9747 12.9747 13.2739 13.2739 13.4089 13.4089 k = 0.0000 0.0000 0.7711 ( 8660 PWs) bands (ev): -44.8243 -44.8243 -44.7301 -44.7301 -21.6766 -21.6766 -21.5078 -21.5078 -21.0668 -21.0668 -20.9319 -20.9319 -20.8298 -20.8298 -20.5475 -20.5475 -0.1833 -0.1833 0.2194 0.2194 6.7264 6.7264 7.1086 7.1086 7.2631 7.2631 7.4889 7.4889 7.9342 7.9342 8.0966 8.0966 10.0365 10.0365 10.3741 10.3741 10.6544 10.6544 10.7623 10.7623 11.2904 11.2904 12.4734 12.4734 13.0343 13.0343 13.2715 13.2715 13.4014 13.4014 k = 0.0000 0.0000 0.7960 ( 8660 PWs) bands (ev): -44.8216 -44.8216 -44.7328 -44.7328 -21.6774 -21.6774 -21.5123 -21.5123 -21.0675 -21.0675 -20.9406 -20.9406 -20.8183 -20.8183 -20.5463 -20.5463 -0.1458 -0.1458 0.2298 0.2298 6.7863 6.7863 7.0575 7.0575 7.2276 7.2276 7.4346 7.4346 7.9174 7.9174 8.0939 8.0939 10.0729 10.0729 10.3744 10.3744 10.6229 10.6229 10.7572 10.7572 11.3090 11.3090 12.4179 12.4179 13.0948 13.0948 13.2685 13.2685 13.3969 13.3969 k = 0.0000 0.0000 0.8209 ( 8676 PWs) bands (ev): -44.8188 -44.8188 -44.7354 -44.7354 -21.6784 -21.6784 -21.5170 -21.5170 -21.0686 -21.0686 -20.9491 -20.9491 -20.8065 -20.8065 -20.5447 -20.5447 -0.1092 -0.1092 0.2389 0.2389 6.8462 6.8462 7.0107 7.0107 7.1972 7.1972 7.3822 7.3822 7.9017 7.9017 8.0910 8.0910 10.1071 10.1071 10.3733 10.3733 10.5909 10.5909 10.7516 10.7516 11.3270 11.3270 12.3564 12.3564 13.1559 13.1559 13.2660 13.2660 13.3956 13.3956 k = 0.0000 0.0000 0.8457 ( 8676 PWs) bands (ev): -44.8161 -44.8161 -44.7380 -44.7380 -21.6797 -21.6797 -21.5218 -21.5218 -21.0698 -21.0698 -20.9572 -20.9572 -20.7944 -20.7944 -20.5430 -20.5430 -0.0737 -0.0737 0.2469 0.2469 6.9048 6.9048 6.9691 6.9691 7.1720 7.1720 7.3316 7.3316 7.8872 7.8872 8.0880 8.0880 10.1383 10.1383 10.3709 10.3709 10.5583 10.5583 10.7461 10.7461 11.3447 11.3447 12.2906 12.2906 13.2174 13.2174 13.2648 13.2648 13.3977 13.3977 k = 0.0000 0.0000 0.8706 ( 8682 PWs) bands (ev): -44.8134 -44.8134 -44.7405 -44.7405 -21.6813 -21.6813 -21.5269 -21.5269 -21.0713 -21.0713 -20.9650 -20.9650 -20.7822 -20.7822 -20.5410 -20.5410 -0.0393 -0.0393 0.2537 0.2537 6.9242 6.9242 6.9697 6.9697 7.1529 7.1529 7.2829 7.2829 7.8738 7.8738 8.0846 8.0846 10.1656 10.1656 10.3675 10.3675 10.5254 10.5254 10.7416 10.7416 11.3621 11.3621 12.2219 12.2219 13.2645 13.2645 13.2803 13.2803 13.4034 13.4034 k = 0.0000 0.0000 0.8955 ( 8674 PWs) bands (ev): -44.8107 -44.8107 -44.7431 -44.7431 -21.6831 -21.6831 -21.5320 -21.5320 -21.0729 -21.0729 -20.9723 -20.9723 -20.7701 -20.7701 -20.5388 -20.5388 -0.0061 -0.0061 0.2593 0.2593 6.8917 6.8917 7.0231 7.0231 7.1418 7.1418 7.2361 7.2361 7.8613 7.8613 8.0807 8.0807 10.1878 10.1878 10.3632 10.3632 10.4921 10.4921 10.7390 10.7390 11.3795 11.3795 12.1515 12.1515 13.2680 13.2680 13.3416 13.3416 13.4130 13.4130 k = 0.0000 0.0000 0.9204 ( 8678 PWs) bands (ev): -44.8081 -44.8081 -44.7455 -44.7455 -21.6851 -21.6851 -21.5373 -21.5373 -21.0747 -21.0747 -20.9792 -20.9792 -20.7581 -20.7581 -20.5365 -20.5365 0.0257 0.0257 0.2638 0.2638 6.8613 6.8613 7.0673 7.0673 7.1460 7.1460 7.1915 7.1915 7.8499 7.8499 8.0763 8.0763 10.2041 10.2041 10.3582 10.3582 10.4585 10.4585 10.7396 10.7396 11.3967 11.3967 12.0804 12.0804 13.2736 13.2736 13.4024 13.4024 13.4274 13.4274 k = 0.0000 0.0000 0.9452 ( 8682 PWs) bands (ev): -44.8056 -44.8056 -44.7479 -44.7479 -21.6873 -21.6873 -21.5426 -21.5426 -21.0765 -21.0765 -20.9856 -20.9856 -20.7462 -20.7462 -20.5338 -20.5338 0.0561 0.0561 0.2671 0.2671 6.8346 6.8346 7.0870 7.0870 7.1472 7.1472 7.1809 7.1809 7.8394 7.8394 8.0712 8.0712 10.2137 10.2137 10.3525 10.3525 10.4247 10.4247 10.7445 10.7445 11.4139 11.4139 12.0094 12.0094 13.2820 13.2820 13.4409 13.4409 13.4677 13.4677 k = 0.0000 0.0000 0.9701 ( 8690 PWs) bands (ev): -44.8031 -44.8031 -44.7503 -44.7503 -21.6898 -21.6898 -21.5478 -21.5478 -21.0784 -21.0784 -20.9916 -20.9916 -20.7347 -20.7347 -20.5310 -20.5310 0.0850 0.0850 0.2694 0.2694 6.8116 6.8116 7.0907 7.0907 7.1090 7.1090 7.2313 7.2313 7.8298 7.8298 8.0653 8.0653 10.2162 10.2162 10.3463 10.3463 10.3910 10.3910 10.7544 10.7544 11.4308 11.4308 11.9391 11.9391 13.2931 13.2931 13.4626 13.4626 13.5280 13.5280 k = 0.0000 0.0000 0.9950 ( 8698 PWs) bands (ev): -44.8007 -44.8007 -44.7526 -44.7526 -21.6925 -21.6925 -21.5530 -21.5530 -21.0803 -21.0803 -20.9972 -20.9972 -20.7235 -20.7235 -20.5280 -20.5280 0.1124 0.1124 0.2707 0.2707 6.7924 6.7924 7.0647 7.0647 7.1010 7.1010 7.2865 7.2865 7.8211 7.8211 8.0586 8.0586 10.2120 10.2120 10.3392 10.3392 10.3578 10.3578 10.7694 10.7694 11.4472 11.4472 11.8703 11.8703 13.3068 13.3068 13.4873 13.4873 13.5884 13.5884 k = 0.0000 0.0000 1.0199 ( 8698 PWs) bands (ev): -44.7984 -44.7984 -44.7548 -44.7548 -21.6953 -21.6953 -21.5581 -21.5581 -21.0821 -21.0821 -21.0023 -21.0023 -20.7128 -20.7128 -20.5248 -20.5248 0.1382 0.1382 0.2711 0.2711 6.7768 6.7768 7.0281 7.0281 7.1081 7.1081 7.3421 7.3421 7.8133 7.8133 8.0509 8.0509 10.2020 10.2020 10.3209 10.3209 10.3358 10.3358 10.7893 10.7893 11.4629 11.4629 11.8032 11.8032 13.3230 13.3230 13.5155 13.5155 13.6480 13.6480 k = 0.0000 0.0000 1.0447 ( 8694 PWs) bands (ev): -44.7961 -44.7961 -44.7569 -44.7569 -21.6984 -21.6984 -21.5631 -21.5631 -21.0840 -21.0840 -21.0070 -21.0070 -20.7026 -20.7026 -20.5214 -20.5214 0.1624 0.1624 0.2706 0.2706 6.7645 6.7645 6.9928 6.9928 7.1192 7.1192 7.3965 7.3965 7.8062 7.8062 8.0422 8.0422 10.1875 10.1875 10.2885 10.2885 10.3281 10.3281 10.8132 10.8132 11.4775 11.4775 11.7384 11.7384 13.3414 13.3414 13.5471 13.5471 13.7065 13.7065 k = 0.0000 0.0000 1.0696 ( 8694 PWs) bands (ev): -44.7939 -44.7939 -44.7589 -44.7589 -21.7016 -21.7016 -21.5679 -21.5679 -21.0858 -21.0858 -21.0114 -21.0114 -20.6930 -20.6930 -20.5178 -20.5178 0.1850 0.1850 0.2695 0.2695 6.7554 6.7554 6.9594 6.9594 7.1339 7.1339 7.4491 7.4491 7.8000 7.8000 8.0324 8.0324 10.1698 10.1698 10.2555 10.2555 10.3214 10.3214 10.8404 10.8404 11.4909 11.4909 11.6761 11.6761 13.3619 13.3619 13.5819 13.5819 13.7635 13.7635 k = 0.0000 0.0000 1.0945 ( 8674 PWs) bands (ev): -44.7919 -44.7919 -44.7608 -44.7608 -21.7049 -21.7049 -21.5724 -21.5724 -21.0875 -21.0875 -21.0153 -21.0153 -20.6840 -20.6840 -20.5141 -20.5141 0.2060 0.2060 0.2676 0.2676 6.7492 6.7492 6.9280 6.9280 7.1520 7.1520 7.4992 7.4992 7.7947 7.7947 8.0215 8.0215 10.1505 10.1505 10.2230 10.2230 10.3149 10.3149 10.8700 10.8700 11.5026 11.5026 11.6166 11.6166 13.3840 13.3840 13.6197 13.6197 13.8155 13.8173 k = 0.0000 0.0000 1.1194 ( 8686 PWs) bands (ev): -44.7899 -44.7899 -44.7627 -44.7627 -21.7082 -21.7082 -21.5767 -21.5767 -21.0892 -21.0892 -21.0189 -21.0189 -20.6756 -20.6756 -20.5103 -20.5103 0.2254 0.2254 0.2653 0.2653 6.7456 6.7456 6.8987 6.8987 7.1733 7.1733 7.5462 7.5462 7.7903 7.7903 8.0093 8.0093 10.1306 10.1306 10.1912 10.1912 10.3087 10.3087 10.9013 10.9013 11.5123 11.5123 11.5601 11.5601 13.4074 13.4074 13.6600 13.6600 13.7899 13.7899 k = 0.0000 0.0000 1.1442 ( 8686 PWs) bands (ev): -44.7881 -44.7881 -44.7644 -44.7644 -21.7117 -21.7117 -21.5807 -21.5807 -21.0907 -21.0907 -21.0222 -21.0222 -20.6678 -20.6678 -20.5064 -20.5064 0.2432 0.2432 0.2625 0.2625 6.7442 6.7442 6.8716 6.8716 7.1976 7.1976 7.5896 7.5896 7.7868 7.7868 7.9958 7.9958 10.1113 10.1113 10.1604 10.1604 10.3027 10.3027 10.9335 10.9335 11.5069 11.5069 11.5198 11.5198 13.4320 13.4320 13.7024 13.7024 13.7635 13.7635 k = 0.0000 0.0000 1.1691 ( 8692 PWs) bands (ev): -44.7863 -44.7863 -44.7660 -44.7660 -21.7151 -21.7151 -21.5844 -21.5844 -21.0921 -21.0921 -21.0252 -21.0252 -20.6608 -20.6608 -20.5024 -20.5024 0.2593 0.2593 0.2595 0.2595 6.7445 6.7445 6.8471 6.8471 7.2245 7.2245 7.6287 7.6287 7.7847 7.7847 7.9810 7.9810 10.0932 10.0932 10.1309 10.1309 10.2971 10.2971 10.9662 10.9662 11.4571 11.4571 11.5248 11.5248 13.4572 13.4572 13.7377 13.7377 13.7475 13.7475 k = 0.0000 0.0000 1.1940 ( 8696 PWs) bands (ev): -44.7847 -44.7847 -44.7676 -44.7676 -21.7185 -21.7185 -21.5879 -21.5879 -21.0935 -21.0935 -21.0278 -21.0278 -20.6544 -20.6544 -20.4985 -20.4985 0.2560 0.2560 0.2741 0.2741 6.7456 6.7456 6.8254 6.8254 7.2538 7.2538 7.6626 7.6626 7.7843 7.7843 7.9649 7.9649 10.0766 10.0766 10.1032 10.1032 10.2918 10.2918 10.9990 10.9990 11.4109 11.4109 11.5272 11.5272 13.4828 13.4828 13.7156 13.7156 13.7920 13.7920 k = 0.0000 0.0000 1.2189 ( 8704 PWs) bands (ev): -44.7832 -44.7832 -44.7690 -44.7690 -21.7217 -21.7217 -21.5910 -21.5910 -21.0947 -21.0947 -21.0302 -21.0302 -20.6487 -20.6487 -20.4946 -20.4946 0.2526 0.2526 0.2874 0.2874 6.7464 6.7464 6.8077 6.8077 7.2851 7.2851 7.6902 7.6902 7.7864 7.7864 7.9476 7.9476 10.0607 10.0607 10.0789 10.0789 10.2869 10.2869 11.0314 11.0314 11.3683 11.3683 11.5268 11.5268 13.5083 13.5083 13.6945 13.6945 13.8376 13.8376 k = 0.0000 0.0000 1.2437 ( 8708 PWs) bands (ev): -44.7819 -44.7819 -44.7702 -44.7702 -21.7249 -21.7249 -21.5938 -21.5938 -21.0958 -21.0958 -21.0323 -21.0323 -20.6437 -20.6437 -20.4908 -20.4908 0.2492 0.2492 0.2992 0.2992 6.7445 6.7445 6.7958 6.7958 7.3181 7.3181 7.7105 7.7105 7.7917 7.7917 7.9292 7.9292 10.0421 10.0421 10.0617 10.0617 10.2824 10.2824 11.0632 11.0632 11.3295 11.3295 11.5237 11.5237 13.5333 13.5333 13.6754 13.6754 13.8829 13.8829 k = 0.0000 0.0000 1.2686 ( 8708 PWs) bands (ev): -44.7806 -44.7806 -44.7714 -44.7714 -21.7278 -21.7278 -21.5963 -21.5963 -21.0968 -21.0968 -21.0342 -21.0342 -20.6392 -20.6392 -20.4873 -20.4873 0.2458 0.2458 0.3096 0.3096 6.7381 6.7381 6.7913 6.7913 7.3524 7.3524 7.7233 7.7233 7.8001 7.8001 7.9102 7.9102 10.0210 10.0210 10.0517 10.0517 10.2784 10.2784 11.0942 11.0942 11.2945 11.2945 11.5178 11.5178 13.5573 13.5573 13.6582 13.6582 13.9271 13.9271 k = 0.0000 0.0000 1.2935 ( 8720 PWs) bands (ev): -44.7795 -44.7795 -44.7724 -44.7724 -21.7305 -21.7305 -21.5985 -21.5985 -21.0976 -21.0976 -21.0358 -21.0358 -20.6354 -20.6354 -20.4840 -20.4840 0.2426 0.2426 0.3186 0.3186 6.7283 6.7283 6.7925 6.7925 7.3876 7.3876 7.7301 7.7301 7.8088 7.8088 7.8916 7.8916 10.0005 10.0005 10.0458 10.0458 10.2748 10.2748 11.1241 11.1241 11.2636 11.2636 11.5095 11.5095 13.5799 13.5799 13.6430 13.6430 13.9693 13.9693 k = 0.0000 0.0000 1.3184 ( 8712 PWs) bands (ev): -44.7786 -44.7786 -44.7733 -44.7733 -21.7330 -21.7330 -21.6004 -21.6004 -21.0984 -21.0984 -21.0372 -21.0372 -20.6322 -20.6322 -20.4810 -20.4810 0.2397 0.2397 0.3264 0.3264 6.7177 6.7177 6.7967 6.7967 7.4233 7.4233 7.7332 7.7332 7.8132 7.8132 7.8762 7.8762 9.9819 9.9819 10.0426 10.0426 10.2716 10.2716 11.1526 11.1526 11.2366 11.2366 11.4990 11.4990 13.6004 13.6004 13.6301 13.6301 14.0085 14.0085 k = 0.0000 0.0000 1.3432 ( 8716 PWs) bands (ev): -44.7778 -44.7778 -44.7741 -44.7741 -21.7351 -21.7351 -21.6019 -21.6019 -21.0990 -21.0990 -21.0383 -21.0383 -20.6295 -20.6295 -20.4784 -20.4784 0.2371 0.2371 0.3328 0.3328 6.7078 6.7078 6.8018 6.8018 7.4590 7.4590 7.7341 7.7341 7.8075 7.8075 7.8687 7.8687 9.9656 9.9656 10.0413 10.0413 10.2690 10.2690 11.1794 11.1794 11.2137 11.2137 11.4868 11.4868 13.6140 13.6140 13.6239 13.6239 14.0438 14.0438 k = 0.0000 0.0000 1.3681 ( 8722 PWs) bands (ev): -44.7771 -44.7771 -44.7747 -44.7747 -21.7369 -21.7369 -21.6032 -21.6032 -21.0995 -21.0995 -21.0393 -21.0393 -20.6273 -20.6273 -20.4762 -20.4762 0.2349 0.2349 0.3381 0.3381 6.6993 6.6993 6.8070 6.8070 7.4941 7.4941 7.7333 7.7333 7.7919 7.7919 7.8689 7.8689 9.9520 9.9520 10.0413 10.0413 10.2668 10.2668 11.1947 11.1947 11.2043 11.2043 11.4737 11.4737 13.6079 13.6079 13.6367 13.6367 14.0742 14.0742 k = 0.0000 0.0000 1.3930 ( 8734 PWs) bands (ev): -44.7766 -44.7766 -44.7752 -44.7752 -21.7383 -21.7383 -21.6042 -21.6042 -21.0999 -21.0999 -21.0400 -21.0400 -20.6256 -20.6256 -20.4744 -20.4744 0.2331 0.2331 0.3421 0.3421 6.6925 6.6925 6.8115 6.8115 7.5277 7.5277 7.7302 7.7302 7.7729 7.7729 7.8720 7.8720 9.9412 9.9412 10.0421 10.0421 10.2651 10.2651 11.1802 11.1802 11.2258 11.2258 11.4605 11.4605 13.6010 13.6010 13.6492 13.6492 14.0989 14.0989 k = 0.0000 0.0000 1.4178 ( 8738 PWs) bands (ev): -44.7762 -44.7762 -44.7755 -44.7755 -21.7394 -21.7394 -21.6049 -21.6049 -21.1002 -21.1002 -21.0405 -21.0405 -20.6244 -20.6244 -20.4731 -20.4731 0.2318 0.2318 0.3450 0.3450 6.6876 6.6876 6.8150 6.8150 7.5583 7.5583 7.7222 7.7222 7.7576 7.7576 7.8751 7.8751 9.9334 9.9334 10.0431 10.0431 10.2639 10.2639 11.1697 11.1697 11.2434 11.2434 11.4489 11.4489 13.5959 13.5959 13.6585 13.6585 14.1170 14.1170 k = 0.0000 0.0000 1.4427 ( 8734 PWs) bands (ev): -44.7760 -44.7760 -44.7757 -44.7757 -21.7400 -21.7400 -21.6054 -21.6054 -21.1004 -21.1004 -21.0408 -21.0408 -20.6237 -20.6237 -20.4723 -20.4723 0.2310 0.2310 0.3467 0.3467 6.6847 6.6847 6.8172 6.8172 7.5822 7.5822 7.7096 7.7096 7.7505 7.7505 7.8772 7.8772 9.9287 9.9287 10.0438 10.0438 10.2632 10.2632 11.1634 11.1634 11.2551 11.2551 11.4405 11.4405 13.5929 13.5929 13.6643 13.6643 14.1281 14.1281 k = 0.0000 0.0000 1.4676 ( 8730 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3473 0.3473 6.6837 6.6837 6.8179 6.8179 7.5920 7.5920 7.7028 7.7028 7.7487 7.7487 7.8779 7.8779 9.9271 9.9271 10.0441 10.0441 10.2629 10.2629 11.1613 11.1613 11.2593 11.2593 11.4375 11.4375 13.5918 13.5918 13.6662 13.6662 14.1319 14.1319 k = 0.0000 0.0000 1.4676 ( 8730 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3473 0.3473 6.6837 6.6837 6.8179 6.8179 7.5920 7.5920 7.7028 7.7028 7.7487 7.7487 7.8779 7.8779 9.9271 9.9271 10.0441 10.0441 10.2629 10.2629 11.1613 11.1613 11.2593 11.2593 11.4375 11.4375 13.5918 13.5918 13.6662 13.6662 14.1319 14.1319 k =-0.0082 0.0226 1.4676 ( 8738 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7400 -21.7400 -21.6054 -21.6054 -21.1004 -21.1004 -21.0408 -21.0408 -20.6237 -20.6237 -20.4723 -20.4723 0.2308 0.2308 0.3471 0.3471 6.6807 6.6807 6.8187 6.8187 7.5923 7.5923 7.7003 7.7003 7.7496 7.7496 7.8800 7.8800 9.9287 9.9287 10.0444 10.0444 10.2641 10.2641 11.1603 11.1603 11.2613 11.2613 11.4360 11.4360 13.5910 13.5910 13.6670 13.6670 14.1320 14.1320 k =-0.0164 0.0453 1.4676 ( 8742 PWs) bands (ev): -44.7761 -44.7761 -44.7756 -44.7756 -21.7394 -21.7394 -21.6050 -21.6050 -21.1002 -21.1002 -21.0406 -21.0406 -20.6245 -20.6245 -20.4730 -20.4730 0.2307 0.2307 0.3464 0.3464 6.6718 6.6718 6.8213 6.8213 7.5933 7.5933 7.6929 7.6929 7.7519 7.7519 7.8865 7.8865 9.9334 9.9334 10.0453 10.0453 10.2674 10.2674 11.1571 11.1571 11.2672 11.2672 11.4317 11.4317 13.5884 13.5884 13.6695 13.6695 14.1323 14.1323 k =-0.0246 0.0679 1.4676 ( 8724 PWs) bands (ev): -44.7764 -44.7764 -44.7753 -44.7753 -21.7383 -21.7383 -21.6044 -21.6044 -21.1000 -21.1000 -21.0401 -21.0401 -20.6257 -20.6257 -20.4741 -20.4741 0.2306 0.2306 0.3453 0.3453 6.6575 6.6575 6.8256 6.8256 7.5945 7.5945 7.6815 7.6815 7.7550 7.7550 7.8970 7.8970 9.9413 9.9413 10.0468 10.0468 10.2730 10.2730 11.1520 11.1520 11.2770 11.2770 11.4244 11.4244 13.5837 13.5837 13.6737 13.6737 14.1327 14.1327 k =-0.0328 0.0906 1.4676 ( 8726 PWs) bands (ev): -44.7769 -44.7769 -44.7749 -44.7749 -21.7369 -21.7369 -21.6035 -21.6035 -21.0996 -21.0996 -21.0394 -21.0394 -20.6274 -20.6274 -20.4756 -20.4756 0.2304 0.2304 0.3437 0.3437 6.6384 6.6384 6.8317 6.8317 7.5955 7.5955 7.6665 7.6665 7.7586 7.7586 7.9114 7.9114 9.9525 9.9525 10.0489 10.0489 10.2808 10.2808 11.1448 11.1448 11.2906 11.2906 11.4144 11.4144 13.5765 13.5765 13.6796 13.6796 14.1284 14.1286 k =-0.0328 0.0906 1.4676 ( 8726 PWs) bands (ev): -44.7769 -44.7769 -44.7749 -44.7749 -21.7369 -21.7369 -21.6035 -21.6035 -21.0996 -21.0996 -21.0394 -21.0394 -20.6274 -20.6274 -20.4756 -20.4756 0.2304 0.2304 0.3437 0.3437 6.6384 6.6384 6.8317 6.8317 7.5955 7.5955 7.6665 7.6665 7.7586 7.7586 7.9114 7.9114 9.9525 9.9525 10.0489 10.0489 10.2808 10.2808 11.1448 11.1448 11.2906 11.2906 11.4144 11.4144 13.5765 13.5765 13.6796 13.6796 14.1290 14.1310 k =-0.0388 0.1071 1.4500 ( 8718 PWs) bands (ev): -44.7773 -44.7773 -44.7745 -44.7745 -21.7355 -21.7355 -21.6027 -21.6027 -21.0992 -21.0992 -21.0388 -21.0388 -20.6290 -20.6290 -20.4771 -20.4771 0.2304 0.2304 0.3419 0.3419 6.6222 6.6222 6.8372 6.8372 7.5862 7.5862 7.6618 7.6618 7.7624 7.7624 7.9235 7.9235 9.9634 9.9634 10.0506 10.0506 10.2879 10.2879 11.1395 11.1395 11.2996 11.2996 11.4083 11.4083 13.5696 13.5696 13.6840 13.6840 14.0772 14.0772 k =-0.0448 0.1236 1.4324 ( 8702 PWs) bands (ev): -44.7777 -44.7777 -44.7741 -44.7741 -21.7337 -21.7337 -21.6016 -21.6016 -21.0987 -21.0987 -21.0379 -21.0379 -20.6312 -20.6312 -20.4790 -20.4790 0.2305 0.2305 0.3393 0.3393 6.6044 6.6044 6.8433 6.8433 7.5606 7.5606 7.6683 7.6683 7.7685 7.7685 7.9365 7.9365 9.9776 9.9776 10.0524 10.0524 10.2964 10.2964 11.1353 11.1353 11.3018 11.3018 11.4087 11.4087 13.5611 13.5611 13.6875 13.6875 14.0250 14.0250 k =-0.0508 0.1402 1.4149 ( 8700 PWs) bands (ev): -44.7782 -44.7782 -44.7738 -44.7738 -21.7315 -21.7315 -21.6002 -21.6002 -21.0981 -21.0981 -21.0369 -21.0369 -20.6339 -20.6339 -20.4815 -20.4815 0.2309 0.2309 0.3360 0.3360 6.5850 6.5850 6.8502 6.8502 7.5263 7.5263 7.6783 7.6783 7.7774 7.7774 7.9503 7.9503 9.9948 9.9948 10.0542 10.0542 10.3063 10.3063 11.1323 11.1323 11.2961 11.2961 11.4169 11.4169 13.5502 13.5502 13.6899 13.6899 13.9743 13.9743 k =-0.0568 0.1567 1.3973 ( 8691 PWs) bands (ev): -44.7786 -44.7786 -44.7734 -44.7734 -21.7289 -21.7289 -21.5985 -21.5985 -21.0974 -21.0974 -21.0356 -21.0356 -20.6370 -20.6370 -20.4844 -20.4844 0.2315 0.2315 0.3318 0.3318 6.5640 6.5640 6.8579 6.8579 7.4869 7.4869 7.6884 7.6884 7.7892 7.7892 7.9647 7.9647 10.0146 10.0146 10.0564 10.0564 10.3175 10.3175 11.1302 11.1302 11.2843 11.2843 11.4316 11.4316 13.5359 13.5359 13.6912 13.6912 13.9269 13.9269 k =-0.0628 0.1732 1.3797 ( 8697 PWs) bands (ev): -44.7790 -44.7790 -44.7730 -44.7730 -21.7260 -21.7260 -21.5967 -21.5967 -21.0966 -21.0966 -21.0341 -21.0341 -20.6406 -20.6406 -20.4878 -20.4878 0.2323 0.2323 0.3270 0.3270 6.5415 6.5415 6.8666 6.8666 7.4437 7.4437 7.6977 7.6977 7.8037 7.8037 7.9796 7.9796 10.0353 10.0353 10.0607 10.0607 10.3300 10.3300 11.1286 11.1286 11.2691 11.2691 11.4508 11.4508 13.5172 13.5172 13.6908 13.6908 13.8846 13.8846 k =-0.0688 0.1898 1.3621 ( 8689 PWs) bands (ev): -44.7794 -44.7794 -44.7727 -44.7727 -21.7226 -21.7226 -21.5946 -21.5946 -21.0956 -21.0956 -21.0323 -21.0323 -20.6447 -20.6447 -20.4916 -20.4916 0.2333 0.2333 0.3214 0.3214 6.5174 6.5174 6.8763 6.8763 7.3973 7.3973 7.7062 7.7062 7.8207 7.8207 7.9950 7.9950 10.0491 10.0491 10.0746 10.0746 10.3439 10.3439 11.1263 11.1263 11.2535 11.2535 11.4729 11.4729 13.4929 13.4929 13.6880 13.6880 13.8495 13.8495 k =-0.0748 0.2063 1.3445 ( 8693 PWs) bands (ev): -44.7798 -44.7798 -44.7724 -44.7724 -21.7189 -21.7189 -21.5923 -21.5923 -21.0945 -21.0945 -21.0304 -21.0304 -20.6492 -20.6492 -20.4959 -20.4959 0.2344 0.2344 0.3151 0.3151 6.4917 6.4917 6.8869 6.8869 7.3484 7.3484 7.7145 7.7145 7.8394 7.8394 8.0107 8.0107 10.0535 10.0535 10.1006 10.1006 10.3591 10.3591 11.1213 11.1213 11.2406 11.2406 11.4970 11.4970 13.4627 13.4627 13.6819 13.6819 13.8230 13.8230 k =-0.0807 0.2228 1.3270 ( 8693 PWs) bands (ev): -44.7802 -44.7802 -44.7721 -44.7721 -21.7149 -21.7149 -21.5898 -21.5898 -21.0932 -21.0932 -21.0282 -21.0282 -20.6542 -20.6542 -20.5006 -20.5006 0.2358 0.2358 0.3083 0.3083 6.4646 6.4646 6.8985 6.8985 7.2972 7.2972 7.7228 7.7228 7.8595 7.8595 8.0268 8.0268 10.0555 10.0555 10.1316 10.1316 10.3757 10.3757 11.1110 11.1110 11.2337 11.2337 11.5228 11.5228 13.4264 13.4264 13.6721 13.6721 13.8055 13.8055 k =-0.0867 0.2393 1.3094 ( 8687 PWs) bands (ev): -44.7807 -44.7807 -44.7717 -44.7717 -21.7105 -21.7105 -21.5871 -21.5871 -21.0918 -21.0918 -21.0258 -21.0258 -20.6596 -20.6596 -20.5058 -20.5058 0.2373 0.2373 0.3008 0.3008 6.4361 6.4361 6.9110 6.9110 7.2442 7.2442 7.7316 7.7316 7.8805 7.8805 8.0431 8.0431 10.0569 10.0569 10.1655 10.1655 10.3939 10.3939 11.0939 11.0939 11.2348 11.2348 11.5498 11.5498 13.3849 13.3849 13.6589 13.6589 13.7958 13.7958 k =-0.0927 0.2559 1.2918 ( 8685 PWs) bands (ev): -44.7811 -44.7811 -44.7714 -44.7714 -21.7058 -21.7058 -21.5843 -21.5843 -21.0903 -21.0903 -21.0231 -21.0231 -20.6654 -20.6654 -20.5114 -20.5114 0.2389 0.2389 0.2929 0.2929 6.4063 6.4063 6.9241 6.9241 7.1900 7.1900 7.7410 7.7410 7.9022 7.9022 8.0598 8.0598 10.0581 10.0581 10.2017 10.2017 10.4138 10.4138 11.0708 11.0708 11.2435 11.2435 11.5780 11.5780 13.3394 13.3394 13.6434 13.6434 13.7648 13.7648 k =-0.0987 0.2724 1.2742 ( 8685 PWs) bands (ev): -44.7815 -44.7815 -44.7711 -44.7711 -21.7008 -21.7008 -21.5813 -21.5813 -21.0886 -21.0886 -21.0202 -21.0202 -20.6716 -20.6716 -20.5174 -20.5174 0.2407 0.2407 0.2844 0.2844 6.3752 6.3752 6.9374 6.9374 7.1354 7.1354 7.7513 7.7513 7.9243 7.9243 8.0768 8.0768 10.0595 10.0595 10.2396 10.2396 10.4356 10.4356 11.0437 11.0437 11.2583 11.2583 11.6070 11.6070 13.2910 13.2910 13.6261 13.6261 13.7051 13.7051 k =-0.1047 0.2889 1.2566 ( 8691 PWs) bands (ev): -44.7819 -44.7819 -44.7709 -44.7709 -21.6955 -21.6955 -21.5782 -21.5782 -21.0867 -21.0867 -21.0170 -21.0170 -20.6783 -20.6783 -20.5238 -20.5238 0.2426 0.2426 0.2755 0.2755 6.3431 6.3431 6.9494 6.9494 7.0820 7.0820 7.7625 7.7625 7.9466 7.9466 8.0942 8.0942 10.0609 10.0609 10.2786 10.2786 10.4598 10.4598 11.0142 11.0142 11.2780 11.2780 11.6368 11.6368 13.2411 13.2411 13.6073 13.6073 13.6440 13.6440 k =-0.1107 0.3055 1.2391 ( 8691 PWs) bands (ev): -44.7823 -44.7823 -44.7706 -44.7706 -21.6900 -21.6900 -21.5751 -21.5751 -21.0847 -21.0847 -21.0136 -21.0136 -20.6853 -20.6853 -20.5306 -20.5306 0.2446 0.2446 0.2663 0.2663 6.3100 6.3100 6.9543 6.9543 7.0359 7.0359 7.7747 7.7747 7.9690 7.9690 8.1118 8.1118 10.0624 10.0624 10.3180 10.3180 10.4868 10.4868 10.9832 10.9832 11.3018 11.3018 11.6670 11.6670 13.1905 13.1905 13.5816 13.5816 13.5873 13.5873 k =-0.1167 0.3220 1.2215 ( 8683 PWs) bands (ev): -44.7826 -44.7826 -44.7703 -44.7703 -21.6843 -21.6843 -21.5718 -21.5718 -21.0824 -21.0824 -21.0099 -21.0099 -20.6926 -20.6926 -20.5378 -20.5378 0.2466 0.2466 0.2568 0.2568 6.2761 6.2761 6.9327 6.9327 7.0169 7.0169 7.7880 7.7880 7.9913 7.9913 8.1297 8.1297 10.0639 10.0639 10.3568 10.3568 10.5174 10.5174 10.9518 10.9518 11.3291 11.3291 11.6975 11.6975 13.1401 13.1401 13.5192 13.5192 13.5650 13.5650 k =-0.1227 0.3385 1.2039 ( 8685 PWs) bands (ev): -44.7830 -44.7830 -44.7701 -44.7701 -21.6783 -21.6783 -21.5685 -21.5685 -21.0800 -21.0800 -21.0059 -21.0059 -20.7003 -20.7003 -20.5454 -20.5454 0.2466 0.2466 0.2491 0.2491 6.2415 6.2415 6.8854 6.8854 7.0241 7.0241 7.8022 7.8022 8.0135 8.0135 8.1480 8.1480 10.0653 10.0653 10.3943 10.3943 10.5525 10.5525 10.9206 10.9206 11.3596 11.3596 11.7281 11.7281 13.0905 13.0905 13.4564 13.4564 13.5410 13.5410 k =-0.1287 0.3550 1.1863 ( 8685 PWs) bands (ev): -44.7834 -44.7834 -44.7698 -44.7698 -21.6722 -21.6722 -21.5652 -21.5652 -21.0774 -21.0774 -21.0016 -21.0016 -20.7083 -20.7083 -20.5534 -20.5534 0.2368 0.2368 0.2511 0.2511 6.2064 6.2064 6.8312 6.8312 7.0391 7.0391 7.8175 7.8175 8.0354 8.0354 8.1666 8.1666 10.0666 10.0666 10.4295 10.4295 10.5924 10.5924 10.8902 10.8902 11.3929 11.3929 11.7583 11.7583 13.0425 13.0425 13.3937 13.3937 13.5149 13.5149 k =-0.1346 0.3716 1.1687 ( 8685 PWs) bands (ev): -44.7838 -44.7838 -44.7696 -44.7696 -21.6659 -21.6659 -21.5619 -21.5619 -21.0746 -21.0746 -20.9970 -20.9970 -20.7166 -20.7166 -20.5616 -20.5616 0.2267 0.2267 0.2533 0.2533 6.1711 6.1711 6.7756 6.7756 7.0565 7.0565 7.8338 7.8338 8.0571 8.0571 8.1854 8.1854 10.0675 10.0675 10.4623 10.4623 10.6375 10.6375 10.8611 10.8611 11.4287 11.4287 11.7879 11.7879 12.9966 12.9966 13.3314 13.3314 13.4869 13.4869 k =-0.1406 0.3881 1.1512 ( 8681 PWs) bands (ev): -44.7841 -44.7841 -44.7694 -44.7694 -21.6594 -21.6594 -21.5586 -21.5586 -21.0716 -21.0716 -20.9922 -20.9922 -20.7251 -20.7251 -20.5703 -20.5703 0.2165 0.2165 0.2556 0.2556 6.1356 6.1356 6.7201 6.7201 7.0749 7.0749 7.8509 7.8509 8.0785 8.0785 8.2045 8.2045 10.0677 10.0677 10.4927 10.4927 10.6871 10.6871 10.8338 10.8338 11.4669 11.4669 11.8165 11.8165 12.9534 12.9534 13.2698 13.2698 13.4568 13.4568 k =-0.1466 0.4046 1.1336 ( 8683 PWs) bands (ev): -44.7845 -44.7845 -44.7692 -44.7692 -21.6529 -21.6529 -21.5553 -21.5553 -21.0684 -21.0684 -20.9871 -20.9871 -20.7339 -20.7339 -20.5792 -20.5792 0.2063 0.2063 0.2579 0.2579 6.1002 6.1002 6.6653 6.6653 7.0938 7.0938 7.8690 7.8690 8.0995 8.0995 8.2238 8.2238 10.0671 10.0671 10.5212 10.5212 10.7404 10.7404 10.8093 10.8093 11.5071 11.5071 11.8437 11.8437 12.9134 12.9134 13.2092 13.2092 13.4249 13.4249 k =-0.1526 0.4212 1.1160 ( 8677 PWs) bands (ev): -44.7848 -44.7848 -44.7690 -44.7690 -21.6463 -21.6463 -21.5522 -21.5522 -21.0649 -21.0649 -20.9817 -20.9817 -20.7429 -20.7429 -20.5884 -20.5884 0.1962 0.1962 0.2602 0.2602 6.0651 6.0651 6.6116 6.6116 7.1127 7.1127 7.8878 7.8878 8.1201 8.1201 8.2433 8.2433 10.0654 10.0654 10.5482 10.5482 10.7804 10.7804 10.8040 10.8040 11.5490 11.5490 11.8691 11.8691 12.8772 12.8772 13.1499 13.1499 13.3915 13.3915 k =-0.1586 0.4377 1.0984 ( 8689 PWs) bands (ev): -44.7851 -44.7851 -44.7688 -44.7688 -21.6397 -21.6397 -21.5491 -21.5491 -21.0612 -21.0612 -20.9760 -20.9760 -20.7521 -20.7521 -20.5979 -20.5979 0.1861 0.1861 0.2625 0.2625 6.0304 6.0304 6.5593 6.5593 7.1316 7.1316 7.9073 7.9073 8.1403 8.1403 8.2628 8.2628 10.0624 10.0624 10.5740 10.5740 10.7642 10.7642 10.8606 10.8606 11.5923 11.5923 11.8923 11.8923 12.8453 12.8453 13.0919 13.0919 13.3569 13.3569 k =-0.1646 0.4542 1.0808 ( 8679 PWs) bands (ev): -44.7854 -44.7854 -44.7686 -44.7686 -21.6331 -21.6331 -21.5462 -21.5462 -21.0572 -21.0572 -20.9701 -20.9701 -20.7614 -20.7614 -20.6077 -20.6077 0.1763 0.1763 0.2647 0.2647 5.9964 5.9964 6.5088 6.5088 7.1502 7.1502 7.9274 7.9274 8.1599 8.1599 8.2823 8.2823 10.0580 10.0580 10.5990 10.5990 10.7476 10.7476 10.9230 10.9230 11.6366 11.6366 11.9132 11.9132 12.8177 12.8177 13.0357 13.0357 13.3217 13.3217 k =-0.1706 0.4707 1.0633 ( 8674 PWs) bands (ev): -44.7857 -44.7857 -44.7684 -44.7684 -21.6265 -21.6265 -21.5434 -21.5434 -21.0530 -21.0530 -20.9639 -20.9639 -20.7708 -20.7708 -20.6177 -20.6177 0.1666 0.1666 0.2669 0.2669 5.9632 5.9632 6.4601 6.4601 7.1683 7.1683 7.9480 7.9480 8.1790 8.1790 8.3019 8.3019 10.0521 10.0521 10.6231 10.6231 10.7337 10.7337 10.9877 10.9877 11.6814 11.6814 11.9316 11.9316 12.7947 12.7947 12.9813 12.9813 13.2864 13.2864 k =-0.1766 0.4873 1.0457 ( 8673 PWs) bands (ev): -44.7860 -44.7860 -44.7683 -44.7683 -21.6199 -21.6199 -21.5408 -21.5408 -21.0485 -21.0485 -20.9575 -20.9575 -20.7803 -20.7803 -20.6279 -20.6279 0.1573 0.1573 0.2690 0.2690 5.9311 5.9311 6.4135 6.4135 7.1858 7.1858 7.9690 7.9690 8.1973 8.1973 8.3213 8.3213 10.0446 10.0446 10.6464 10.6464 10.7226 10.7226 11.0542 11.0542 11.7260 11.7260 11.9478 11.9478 12.7757 12.7757 12.9290 12.9290 13.2520 13.2520 k =-0.1826 0.5038 1.0281 ( 8668 PWs) bands (ev): -44.7863 -44.7863 -44.7681 -44.7681 -21.6135 -21.6135 -21.5384 -21.5384 -21.0437 -21.0437 -20.9509 -20.9509 -20.7897 -20.7897 -20.6384 -20.6384 0.1483 0.1483 0.2711 0.2711 5.9001 5.9001 6.3691 6.3691 7.2025 7.2025 7.9902 7.9902 8.2148 8.2148 8.3407 8.3407 10.0358 10.0358 10.6686 10.6686 10.7145 10.7145 11.1221 11.1221 11.7696 11.7696 11.9627 11.9627 12.7602 12.7602 12.8791 12.8791 13.2193 13.2193 k =-0.1886 0.5203 1.0105 ( 8667 PWs) bands (ev): -44.7865 -44.7865 -44.7680 -44.7680 -21.6071 -21.6071 -21.5362 -21.5362 -21.0387 -21.0387 -20.9442 -20.9442 -20.7990 -20.7990 -20.6489 -20.6489 0.1396 0.1396 0.2731 0.2731 5.8705 5.8705 6.3272 6.3272 7.2183 7.2183 8.0115 8.0115 8.2312 8.2312 8.3600 8.3600 10.0258 10.0258 10.6884 10.6884 10.7102 10.7102 11.1911 11.1911 11.8107 11.8107 11.9777 11.9777 12.7466 12.7466 12.8318 12.8318 13.1898 13.1898 k =-0.1945 0.5369 0.9929 ( 8663 PWs) bands (ev): -44.7868 -44.7868 -44.7679 -44.7679 -21.6010 -21.6010 -21.5342 -21.5342 -21.0334 -21.0334 -20.9375 -20.9375 -20.8082 -20.8082 -20.6597 -20.6597 0.1314 0.1314 0.2749 0.2749 5.8425 5.8425 6.2879 6.2879 7.2331 7.2331 8.0328 8.0328 8.2463 8.2463 8.3791 8.3791 10.0149 10.0149 10.6975 10.6975 10.7177 10.7177 11.2609 11.2609 11.8473 11.8473 11.9952 11.9952 12.7334 12.7334 12.7873 12.7873 13.1646 13.1646 k =-0.2005 0.5534 0.9754 ( 8663 PWs) bands (ev): -44.7870 -44.7870 -44.7677 -44.7677 -21.5950 -21.5950 -21.5325 -21.5325 -21.0277 -21.0277 -20.9309 -20.9309 -20.8169 -20.8169 -20.6705 -20.6705 0.1237 0.1237 0.2767 0.2767 5.8161 5.8161 6.2512 6.2512 7.2469 7.2469 8.0539 8.0539 8.2600 8.2600 8.3981 8.3981 10.0034 10.0034 10.6968 10.6968 10.7355 10.7355 11.3311 11.3311 11.8771 11.8771 12.0177 12.0177 12.7183 12.7183 12.7463 12.7463 13.1450 13.1450 k =-0.2065 0.5699 0.9578 ( 8653 PWs) bands (ev): -44.7872 -44.7872 -44.7676 -44.7676 -21.5893 -21.5893 -21.5310 -21.5310 -21.0218 -21.0218 -20.9246 -20.9246 -20.8251 -20.8251 -20.6814 -20.6814 0.1165 0.1165 0.2784 0.2784 5.7916 5.7916 6.2174 6.2174 7.2595 7.2595 8.0746 8.0746 8.2720 8.2720 8.4167 8.4167 9.9916 9.9916 10.6953 10.6953 10.7541 10.7541 11.4013 11.4013 11.8991 11.8991 12.0468 12.0468 12.6983 12.6983 12.7105 12.7105 13.1317 13.1319 k =-0.2125 0.5864 0.9402 ( 8655 PWs) bands (ev): -44.7874 -44.7874 -44.7675 -44.7675 -21.5839 -21.5839 -21.5298 -21.5298 -21.0156 -21.0156 -20.9190 -20.9190 -20.8323 -20.8323 -20.6923 -20.6923 0.1099 0.1099 0.2799 0.2799 5.7690 5.7690 6.1865 6.1865 7.2710 7.2710 8.0947 8.0947 8.2823 8.2823 8.4348 8.4348 9.9798 9.9798 10.6941 10.6941 10.7718 10.7718 11.4711 11.4711 11.9145 11.9145 12.0814 12.0814 12.6691 12.6691 12.6833 12.6833 13.1180 13.1188 k =-0.2185 0.6030 0.9226 ( 8664 PWs) bands (ev): -44.7875 -44.7875 -44.7674 -44.7674 -21.5788 -21.5788 -21.5289 -21.5289 -21.0092 -21.0092 -20.9146 -20.9146 -20.8380 -20.8380 -20.7033 -20.7033 0.1039 0.1039 0.2813 0.2813 5.7484 5.7484 6.1585 6.1585 7.2812 7.2812 8.1141 8.1141 8.2907 8.2907 8.4521 8.4521 9.9684 9.9684 10.6930 10.6930 10.7882 10.7882 11.5398 11.5398 11.9259 11.9259 12.1192 12.1192 12.6391 12.6391 12.6569 12.6569 13.0623 13.0623 k =-0.2245 0.6195 0.9050 ( 8672 PWs) bands (ev): -44.7877 -44.7877 -44.7674 -44.7674 -21.5740 -21.5740 -21.5282 -21.5282 -21.0025 -21.0025 -20.9121 -20.9121 -20.8416 -20.8416 -20.7141 -20.7141 0.0985 0.0985 0.2825 0.2825 5.7300 5.7300 6.1337 6.1337 7.2903 7.2903 8.1325 8.1325 8.2973 8.2973 8.4685 8.4685 9.9576 9.9576 10.6921 10.6921 10.8033 10.8033 11.6067 11.6067 11.9354 11.9354 12.1582 12.1582 12.6125 12.6125 12.6276 12.6276 12.9981 12.9981 k =-0.2305 0.6360 0.8875 ( 8670 PWs) bands (ev): -44.7878 -44.7878 -44.7673 -44.7673 -21.5697 -21.5697 -21.5278 -21.5278 -20.9955 -20.9955 -20.9121 -20.9121 -20.8425 -20.8425 -20.7249 -20.7249 0.0937 0.0937 0.2836 0.2836 5.7139 5.7139 6.1120 6.1120 7.2981 7.2981 8.1497 8.1497 8.3022 8.3022 8.4836 8.4836 9.9477 9.9477 10.6911 10.6911 10.8167 10.8167 11.6708 11.6708 11.9440 11.9440 12.1969 12.1969 12.5901 12.5901 12.5962 12.5962 12.9346 12.9346 k =-0.2365 0.6526 0.8699 ( 8670 PWs) bands (ev): -44.7879 -44.7879 -44.7672 -44.7672 -21.5658 -21.5658 -21.5275 -21.5275 -20.9883 -20.9883 -20.9146 -20.9146 -20.8406 -20.8406 -20.7354 -20.7354 0.0897 0.0897 0.2845 0.2845 5.7001 5.7001 6.0936 6.0936 7.3047 7.3047 8.1654 8.1654 8.3054 8.3054 8.4970 8.4970 9.9390 9.9390 10.6901 10.6901 10.8283 10.8283 11.7308 11.7308 11.9523 11.9523 12.2345 12.2345 12.5625 12.5625 12.5736 12.5736 12.8731 12.8731 k =-0.2425 0.6691 0.8523 ( 8670 PWs) bands (ev): -44.7880 -44.7880 -44.7672 -44.7672 -21.5625 -21.5625 -21.5275 -21.5275 -20.9809 -20.9809 -20.9192 -20.9192 -20.8364 -20.8364 -20.7455 -20.7455 0.0863 0.0863 0.2853 0.2853 5.6888 5.6888 6.0785 6.0785 7.3101 7.3101 8.1792 8.1792 8.3072 8.3072 8.5086 8.5086 9.9316 9.9316 10.6891 10.6891 10.8381 10.8381 11.7851 11.7851 11.9602 11.9602 12.2706 12.2706 12.5289 12.5289 12.5620 12.5620 12.8149 12.8149 k =-0.2484 0.6856 0.8347 ( 8670 PWs) bands (ev): -44.7881 -44.7881 -44.7672 -44.7672 -21.5598 -21.5598 -21.5275 -21.5275 -20.9735 -20.9735 -20.9251 -20.9251 -20.8310 -20.8310 -20.7550 -20.7550 0.0837 0.0837 0.2859 0.2859 5.6799 5.6799 6.0666 6.0666 7.3143 7.3143 8.1908 8.1908 8.3079 8.3079 8.5179 8.5179 9.9257 9.9257 10.6881 10.6881 10.8458 10.8458 11.8316 11.8316 11.9673 11.9673 12.3050 12.3050 12.4955 12.4955 12.5565 12.5565 12.7618 12.7618 k =-0.2544 0.7021 0.8171 ( 8676 PWs) bands (ev): -44.7881 -44.7881 -44.7671 -44.7671 -21.5578 -21.5578 -21.5276 -21.5276 -20.9662 -20.9662 -20.9317 -20.9317 -20.8251 -20.8251 -20.7634 -20.7634 0.0818 0.0818 0.2863 0.2863 5.6735 5.6735 6.0582 6.0582 7.3173 7.3173 8.1996 8.1996 8.3079 8.3079 8.5247 8.5247 9.9214 9.9214 10.6873 10.6873 10.8513 10.8513 11.8677 11.8677 11.9731 11.9731 12.3378 12.3378 12.4625 12.4625 12.5569 12.5569 12.7167 12.7167 k =-0.2604 0.7187 0.7996 ( 8678 PWs) bands (ev): -44.7882 -44.7882 -44.7671 -44.7671 -21.5567 -21.5567 -21.5276 -21.5276 -20.9597 -20.9597 -20.9378 -20.9378 -20.8202 -20.8202 -20.7698 -20.7698 0.0807 0.0807 0.2866 0.2866 5.6696 5.6696 6.0531 6.0531 7.3191 7.3191 8.2051 8.2051 8.3077 8.3077 8.5288 8.5288 9.9187 9.9187 10.6868 10.6868 10.8546 10.8546 11.8908 11.8908 11.9769 11.9769 12.3694 12.3694 12.4304 12.4304 12.5612 12.5612 12.6842 12.6842 k =-0.2664 0.7352 0.7820 ( 8686 PWs) bands (ev): -44.7882 -44.7882 -44.7671 -44.7671 -21.5563 -21.5563 -21.5276 -21.5276 -20.9568 -20.9568 -20.9407 -20.9407 -20.8178 -20.8178 -20.7726 -20.7726 0.0803 0.0803 0.2867 0.2867 5.6683 5.6683 6.0514 6.0514 7.3197 7.3197 8.2069 8.2069 8.3076 8.3076 8.5302 8.5302 9.9179 9.9179 10.6866 10.6866 10.8557 10.8557 11.8989 11.8989 11.9784 11.9784 12.3937 12.3937 12.4056 12.4056 12.5638 12.5638 12.6719 12.6719 k =-0.2664 0.7352 0.7820 ( 8686 PWs) bands (ev): -44.7882 -44.7882 -44.7671 -44.7671 -21.5563 -21.5563 -21.5276 -21.5276 -20.9568 -20.9568 -20.9407 -20.9407 -20.8178 -20.8178 -20.7726 -20.7726 0.0803 0.0803 0.2867 0.2867 5.6683 5.6683 6.0514 6.0514 7.3197 7.3197 8.2069 8.2069 8.3076 8.3076 8.5302 8.5302 9.9179 9.9179 10.6866 10.6866 10.8557 10.8557 11.8989 11.8989 11.9784 11.9784 12.3937 12.3937 12.4056 12.4056 12.5638 12.5638 12.6719 12.6719 k =-0.2605 0.7189 0.7646 ( 8678 PWs) bands (ev): -44.7844 -44.7844 -44.7709 -44.7709 -21.5511 -21.5511 -21.5322 -21.5322 -20.9552 -20.9552 -20.9403 -20.9403 -20.8123 -20.8123 -20.7812 -20.7812 0.0811 0.0811 0.2989 0.2989 5.6454 5.6454 6.0578 6.0578 7.3278 7.3278 8.2117 8.2117 8.2888 8.2888 8.5154 8.5154 9.9206 9.9206 10.7099 10.7099 10.8332 10.8332 11.8470 11.8470 11.9802 11.9802 12.4390 12.4390 12.4482 12.4482 12.5547 12.5547 12.7061 12.7061 k =-0.2546 0.7025 0.7472 ( 8678 PWs) bands (ev): -44.7806 -44.7806 -44.7747 -44.7747 -21.5462 -21.5462 -21.5367 -21.5367 -20.9544 -20.9544 -20.9400 -20.9400 -20.8068 -20.8068 -20.7884 -20.7884 0.0785 0.0785 0.3088 0.3088 5.6294 5.6294 6.0693 6.0693 7.3312 7.3312 8.2175 8.2175 8.2717 8.2717 8.5032 8.5032 9.9237 9.9237 10.7311 10.7311 10.8118 10.8118 11.7940 11.7940 11.9735 11.9735 12.4770 12.4770 12.4967 12.4967 12.5492 12.5492 12.7436 12.7436 k =-0.2487 0.6862 0.7298 ( 8674 PWs) bands (ev): -44.7785 -44.7785 -44.7767 -44.7767 -21.5443 -21.5443 -21.5385 -21.5385 -20.9542 -20.9542 -20.9400 -20.9400 -20.8049 -20.8049 -20.7906 -20.7906 0.0726 0.0726 0.3166 0.3166 5.6201 5.6201 6.0859 6.0859 7.3299 7.3299 8.2225 8.2225 8.2582 8.2582 8.4937 8.4937 9.9273 9.9273 10.7487 10.7487 10.7927 10.7927 11.7406 11.7406 11.9594 11.9594 12.5082 12.5082 12.5293 12.5293 12.5676 12.5676 12.7837 12.7837 k =-0.2427 0.6698 0.7125 ( 8658 PWs) bands (ev): -44.7823 -44.7823 -44.7730 -44.7730 -21.5483 -21.5483 -21.5347 -21.5347 -20.9547 -20.9547 -20.9401 -20.9401 -20.8092 -20.8092 -20.7854 -20.7854 0.0632 0.0632 0.3220 0.3220 5.6177 5.6177 6.1075 6.1075 7.3243 7.3243 8.2215 8.2215 8.2537 8.2537 8.4870 8.4870 9.9308 9.9308 10.7544 10.7544 10.7840 10.7840 11.6874 11.6874 11.9388 11.9388 12.5215 12.5215 12.5447 12.5447 12.6218 12.6218 12.8259 12.8259 k =-0.2368 0.6535 0.6951 ( 8650 PWs) bands (ev): -44.7861 -44.7861 -44.7692 -44.7692 -21.5534 -21.5534 -21.5301 -21.5301 -20.9559 -20.9559 -20.9404 -20.9404 -20.8148 -20.8148 -20.7774 -20.7774 0.0506 0.0506 0.3252 0.3252 5.6219 5.6219 6.1341 6.1341 7.3144 7.3144 8.2121 8.2121 8.2604 8.2604 8.4830 8.4830 9.9340 9.9340 10.7407 10.7407 10.7931 10.7931 11.6348 11.6348 11.9128 11.9128 12.5183 12.5183 12.5704 12.5704 12.6821 12.6821 12.8698 12.8698 k =-0.2309 0.6372 0.6777 ( 8650 PWs) bands (ev): -44.7899 -44.7899 -44.7654 -44.7654 -21.5588 -21.5588 -21.5255 -21.5255 -20.9577 -20.9577 -20.9409 -20.9409 -20.8201 -20.8201 -20.7684 -20.7684 0.0347 0.0347 0.3261 0.3261 5.6325 5.6325 6.1656 6.1656 7.3006 7.3006 8.2001 8.2001 8.2726 8.2726 8.4817 8.4817 9.9365 9.9365 10.7219 10.7219 10.8055 10.8055 11.5833 11.5833 11.8822 11.8822 12.5132 12.5132 12.5957 12.5957 12.7442 12.7442 12.9150 12.9150 k =-0.2250 0.6208 0.6603 ( 8652 PWs) bands (ev): -44.7937 -44.7937 -44.7616 -44.7616 -21.5644 -21.5644 -21.5211 -21.5211 -20.9604 -20.9604 -20.9414 -20.9414 -20.8246 -20.8246 -20.7589 -20.7589 0.0156 0.0156 0.3249 0.3249 5.6493 5.6493 6.2020 6.2020 7.2835 7.2835 8.1881 8.1881 8.2875 8.2875 8.4832 8.4832 9.9376 9.9376 10.7023 10.7023 10.8169 10.8169 11.5330 11.5330 11.8479 11.8479 12.5076 12.5076 12.6202 12.6202 12.8068 12.8068 12.9613 12.9613 k =-0.2191 0.6045 0.6430 ( 8658 PWs) bands (ev): -44.7974 -44.7974 -44.7579 -44.7579 -21.5700 -21.5700 -21.5168 -21.5168 -20.9640 -20.9640 -20.9420 -20.9420 -20.8281 -20.8281 -20.7490 -20.7490 -0.0064 -0.0064 0.3216 0.3216 5.6718 5.6718 6.2432 6.2432 7.2634 7.2634 8.1770 8.1770 8.3045 8.3045 8.4875 8.4875 9.9371 9.9371 10.6826 10.6826 10.8268 10.8268 11.4844 11.4844 11.8104 11.8104 12.5011 12.5011 12.6443 12.6443 12.8691 12.8691 13.0085 13.0085 k =-0.2131 0.5882 0.6256 ( 8662 PWs) bands (ev): -44.8012 -44.8012 -44.7542 -44.7542 -21.5758 -21.5758 -21.5128 -21.5128 -20.9683 -20.9683 -20.9425 -20.9425 -20.8306 -20.8306 -20.7388 -20.7388 -0.0312 -0.0312 0.3162 0.3162 5.6996 5.6996 6.2890 6.2890 7.2412 7.2412 8.1669 8.1669 8.3231 8.3231 8.4945 8.4945 9.9343 9.9343 10.6629 10.6629 10.8351 10.8351 11.4378 11.4378 11.7705 11.7705 12.4934 12.4934 12.6685 12.6685 12.9305 12.9305 13.0563 13.0563 k =-0.2072 0.5718 0.6082 ( 8660 PWs) bands (ev): -44.8049 -44.8049 -44.7505 -44.7505 -21.5816 -21.5816 -21.5089 -21.5089 -20.9734 -20.9734 -20.9430 -20.9430 -20.8322 -20.8322 -20.7285 -20.7285 -0.0585 -0.0585 0.3088 0.3088 5.7321 5.7321 6.3392 6.3392 7.2174 7.2174 8.1579 8.1579 8.3432 8.3432 8.5043 8.5043 9.9289 9.9289 10.6431 10.6431 10.8419 10.8419 11.3932 11.3932 11.7286 11.7286 12.4838 12.4838 12.6934 12.6934 12.9900 12.9900 13.1046 13.1046 k =-0.2013 0.5555 0.5908 ( 8656 PWs) bands (ev): -44.8085 -44.8085 -44.7469 -44.7469 -21.5875 -21.5875 -21.5052 -21.5052 -20.9792 -20.9792 -20.9434 -20.9434 -20.8328 -20.8328 -20.7180 -20.7180 -0.0883 -0.0883 0.2997 0.2997 5.7687 5.7687 6.3938 6.3938 7.1930 7.1930 8.1500 8.1500 8.3647 8.3647 8.5167 8.5167 9.9207 9.9207 10.6231 10.6231 10.8473 10.8473 11.3510 11.3510 11.6853 11.6853 12.4716 12.4716 12.7190 12.7190 13.0456 13.0456 13.1514 13.1532 k =-0.1954 0.5391 0.5735 ( 8648 PWs) bands (ev): -44.8121 -44.8121 -44.7433 -44.7433 -21.5934 -21.5934 -21.5017 -21.5017 -20.9856 -20.9856 -20.9437 -20.9437 -20.8326 -20.8326 -20.7074 -20.7074 -0.1201 -0.1201 0.2888 0.2888 5.8085 5.8085 6.4524 6.4524 7.1689 7.1689 8.1433 8.1433 8.3874 8.3874 8.5319 8.5319 9.9093 9.9093 10.6029 10.6029 10.8515 10.8515 11.3115 11.3115 11.6408 11.6408 12.4560 12.4560 12.7452 12.7452 13.0835 13.0835 13.1320 13.1320 k =-0.1895 0.5228 0.5561 ( 8656 PWs) bands (ev): -44.8157 -44.8157 -44.7397 -44.7397 -21.5993 -21.5993 -21.4984 -21.4984 -20.9924 -20.9924 -20.9440 -20.9440 -20.8317 -20.8317 -20.6968 -20.6968 -0.1539 -0.1539 0.2764 0.2764 5.8504 5.8504 6.5149 6.5149 7.1463 7.1463 8.1378 8.1378 8.4111 8.4111 8.5497 8.5497 9.8946 9.8946 10.5823 10.5823 10.8546 10.8546 11.2749 11.2749 11.5956 11.5956 12.4364 12.4364 12.7709 12.7709 13.0589 13.0589 13.1648 13.1649 k =-0.1835 0.5065 0.5387 ( 8656 PWs) bands (ev): -44.8192 -44.8192 -44.7362 -44.7362 -21.6053 -21.6053 -21.4954 -21.4954 -20.9996 -20.9996 -20.9442 -20.9442 -20.8301 -20.8301 -20.6862 -20.6862 -0.1892 -0.1892 0.2625 0.2625 5.8932 5.8932 6.5810 6.5810 7.1265 7.1265 8.1334 8.1334 8.4357 8.4357 8.5701 8.5701 9.8768 9.8768 10.5612 10.5612 10.8567 10.8567 11.2413 11.2413 11.5500 11.5500 12.4123 12.4123 12.7930 12.7930 13.0158 13.0158 13.2096 13.2098 k =-0.1776 0.4901 0.5213 ( 8650 PWs) bands (ev): -44.8227 -44.8227 -44.7328 -44.7328 -21.6112 -21.6112 -21.4925 -21.4925 -21.0071 -21.0071 -20.9444 -20.9444 -20.8280 -20.8280 -20.6757 -20.6757 -0.2260 -0.2260 0.2473 0.2473 5.9354 5.9354 6.6506 6.6506 7.1112 7.1112 8.1302 8.1302 8.4609 8.4609 8.5931 8.5931 9.8558 9.8558 10.5395 10.5395 10.8579 10.8579 11.2111 11.2111 11.5042 11.5042 12.3835 12.3835 12.8029 12.8029 12.9784 12.9784 13.2511 13.2512 k =-0.1717 0.4738 0.5039 ( 8666 PWs) bands (ev): -44.8261 -44.8261 -44.7294 -44.7294 -21.6171 -21.6171 -21.4898 -21.4898 -21.0147 -21.0147 -20.9444 -20.9444 -20.8254 -20.8254 -20.6652 -20.6652 -0.2639 -0.2639 0.2310 0.2310 5.9754 5.9754 6.7233 6.7233 7.1020 7.1020 8.1281 8.1281 8.4867 8.4867 8.6186 8.6186 9.8318 9.8318 10.5170 10.5170 10.8583 10.8583 11.1845 11.1845 11.4585 11.4585 12.3502 12.3502 12.7846 12.7846 12.9653 12.9653 13.2870 13.2870 k =-0.1658 0.4575 0.4866 ( 8660 PWs) bands (ev): -44.8294 -44.8294 -44.7261 -44.7261 -21.6229 -21.6229 -21.4873 -21.4873 -21.0225 -21.0225 -20.9445 -20.9445 -20.8224 -20.8224 -20.6548 -20.6548 -0.3026 -0.3026 0.2137 0.2137 6.0114 6.0114 6.7988 6.7988 7.1008 7.1008 8.1271 8.1271 8.5128 8.5128 8.6465 8.6465 9.8051 9.8051 10.4935 10.4935 10.8580 10.8580 11.1617 11.1617 11.4130 11.4130 12.3130 12.3130 12.7355 12.7355 12.9800 12.9800 13.3163 13.3164 k =-0.1598 0.4411 0.4692 ( 8658 PWs) bands (ev): -44.8327 -44.8327 -44.7229 -44.7229 -21.6287 -21.6287 -21.4850 -21.4850 -21.0302 -21.0302 -20.9444 -20.9444 -20.8191 -20.8191 -20.6445 -20.6445 -0.3420 -0.3420 0.1955 0.1955 6.0413 6.0413 6.8769 6.8769 7.1095 7.1095 8.1272 8.1272 8.5389 8.5389 8.6768 8.6768 9.7761 9.7761 10.4689 10.4689 10.8570 10.8570 11.1429 11.1429 11.3679 11.3679 12.2727 12.2727 12.6696 12.6696 13.0096 13.0096 13.3384 13.3384 k =-0.1539 0.4248 0.4518 ( 8666 PWs) bands (ev): -44.8359 -44.8359 -44.7198 -44.7198 -21.6345 -21.6345 -21.4828 -21.4828 -21.0380 -21.0380 -20.9443 -20.9443 -20.8155 -20.8155 -20.6344 -20.6344 -0.3818 -0.3818 0.1767 0.1767 6.0639 6.0639 6.9573 6.9573 7.1296 7.1296 8.1283 8.1283 8.5650 8.5650 8.7094 8.7094 9.7450 9.7450 10.4431 10.4431 10.8553 10.8553 11.1284 11.1284 11.3234 11.3234 12.2305 12.2305 12.5955 12.5955 13.0460 13.0460 13.3524 13.3524 k =-0.1480 0.4084 0.4344 ( 8674 PWs) bands (ev): -44.8390 -44.8390 -44.7167 -44.7167 -21.6401 -21.6401 -21.4809 -21.4809 -21.0456 -21.0456 -20.9442 -20.9442 -20.8118 -20.8118 -20.6245 -20.6245 -0.4218 -0.4218 0.1573 0.1573 6.0779 6.0779 7.0397 7.0397 7.1622 7.1622 8.1305 8.1305 8.5907 8.5907 8.7442 8.7442 9.7122 9.7122 10.4159 10.4159 10.8529 10.8529 11.1184 11.1184 11.2795 11.2795 12.1876 12.1876 12.5172 12.5172 13.0859 13.0859 13.3583 13.3583 k =-0.1421 0.3921 0.4171 ( 8678 PWs) bands (ev): -44.8420 -44.8420 -44.7137 -44.7137 -21.6456 -21.6456 -21.4791 -21.4791 -21.0532 -21.0532 -20.9440 -20.9440 -20.8078 -20.8078 -20.6148 -20.6148 -0.4618 -0.4618 0.1374 0.1374 6.0832 6.0832 7.1237 7.1237 7.2074 7.2074 8.1337 8.1337 8.6158 8.6158 8.7811 8.7811 9.6782 9.6782 10.3871 10.3871 10.8500 10.8500 11.1131 11.1131 11.2364 11.2364 12.1450 12.1450 12.4363 12.4363 13.1278 13.1278 13.3558 13.3558 k =-0.1362 0.3758 0.3997 ( 8680 PWs) bands (ev): -44.8450 -44.8450 -44.7108 -44.7108 -21.6510 -21.6510 -21.4774 -21.4774 -21.0606 -21.0606 -20.9438 -20.9438 -20.8038 -20.8038 -20.6052 -20.6052 -0.5015 -0.5015 0.1173 0.1173 6.0802 6.0802 7.2089 7.2089 7.2646 7.2646 8.1379 8.1379 8.6402 8.6402 8.8199 8.8199 9.6432 9.6432 10.3567 10.3567 10.8464 10.8464 11.1127 11.1127 11.1942 11.1942 12.1038 12.1038 12.3539 12.3539 13.1709 13.1709 13.3452 13.3452 k =-0.1302 0.3594 0.3823 ( 8686 PWs) bands (ev): -44.8478 -44.8478 -44.7080 -44.7080 -21.6563 -21.6563 -21.4760 -21.4760 -21.0678 -21.0678 -20.9435 -20.9435 -20.7996 -20.7996 -20.5960 -20.5960 -0.5408 -0.5408 0.0971 0.0971 6.0699 6.0699 7.2950 7.2950 7.3330 7.3330 8.1431 8.1431 8.6636 8.6636 8.8607 8.8607 9.6078 9.6078 10.3245 10.3245 10.8422 10.8422 11.1173 11.1173 11.1530 11.1530 12.0648 12.0648 12.2707 12.2707 13.2147 13.2147 13.3269 13.3269 k =-0.1243 0.3431 0.3649 ( 8684 PWs) bands (ev): -44.8506 -44.8506 -44.7053 -44.7053 -21.6615 -21.6615 -21.4746 -21.4746 -21.0749 -21.0749 -20.9432 -20.9432 -20.7955 -20.7955 -20.5870 -20.5870 -0.5795 -0.5795 0.0769 0.0769 6.0536 6.0536 7.3810 7.3810 7.4116 7.4116 8.1495 8.1495 8.6859 8.6859 8.9032 8.9032 9.5722 9.5722 10.2906 10.2906 10.8374 10.8374 11.1127 11.1127 11.1271 11.1271 12.0289 12.0289 12.1870 12.1870 13.2577 13.2577 13.3025 13.3025 k =-0.1184 0.3268 0.3475 ( 8676 PWs) bands (ev): -44.8532 -44.8532 -44.7027 -44.7027 -21.6664 -21.6664 -21.4734 -21.4734 -21.0817 -21.0817 -20.9429 -20.9429 -20.7913 -20.7913 -20.5782 -20.5782 -0.6174 -0.6174 0.0568 0.0568 6.0326 6.0326 7.4662 7.4662 7.4990 7.4990 8.1570 8.1570 8.7069 8.7069 8.9474 8.9474 9.5368 9.5368 10.2550 10.2550 10.8320 10.8320 11.0735 11.0735 11.1421 11.1421 11.9963 11.9963 12.1035 12.1035 13.2650 13.2650 13.3074 13.3074 k =-0.1125 0.3104 0.3302 ( 8674 PWs) bands (ev): -44.8558 -44.8558 -44.7002 -44.7002 -21.6713 -21.6713 -21.4723 -21.4723 -21.0882 -21.0882 -20.9425 -20.9425 -20.7871 -20.7871 -20.5698 -20.5698 -0.6543 -0.6543 0.0369 0.0369 6.0081 6.0081 7.5506 7.5506 7.5934 7.5934 8.1659 8.1659 8.7265 8.7265 8.9929 8.9929 9.5021 9.5021 10.2177 10.2177 10.8262 10.8262 11.0354 11.0354 11.1623 11.1623 11.9664 11.9664 12.0213 12.0213 13.2284 13.2284 13.3500 13.3500 k =-0.1066 0.2941 0.3128 ( 8678 PWs) bands (ev): -44.8582 -44.8582 -44.6978 -44.6978 -21.6759 -21.6759 -21.4713 -21.4713 -21.0945 -21.0945 -20.9422 -20.9422 -20.7830 -20.7830 -20.5617 -20.5617 -0.6902 -0.6902 0.0174 0.0174 5.9811 5.9811 7.6337 7.6337 7.6933 7.6933 8.1766 8.1766 8.7446 8.7446 9.0397 9.0397 9.4684 9.4684 10.1788 10.1788 10.8198 10.8198 10.9984 10.9984 11.1878 11.1878 11.9245 11.9245 11.9555 11.9555 13.1856 13.1856 13.3936 13.3936 k =-0.1006 0.2777 0.2954 ( 8675 PWs) bands (ev): -44.8605 -44.8605 -44.6955 -44.6955 -21.6803 -21.6803 -21.4705 -21.4705 -21.1006 -21.1006 -20.9418 -20.9418 -20.7789 -20.7789 -20.5540 -20.5540 -0.7249 -0.7249 -0.0017 -0.0017 5.9527 5.9527 7.7147 7.7147 7.7974 7.7974 8.1895 8.1895 8.7612 8.7612 9.0875 9.0875 9.4362 9.4362 10.1384 10.1384 10.8131 10.8131 10.9626 10.9626 11.2184 11.2184 11.8467 11.8467 11.9302 11.9302 13.1385 13.1385 13.4366 13.4366 k =-0.0947 0.2614 0.2780 ( 8679 PWs) bands (ev): -44.8627 -44.8627 -44.6933 -44.6933 -21.6846 -21.6846 -21.4697 -21.4697 -21.1063 -21.1063 -20.9414 -20.9414 -20.7750 -20.7750 -20.5466 -20.5466 -0.7582 -0.7582 -0.0202 -0.0202 5.9235 5.9235 7.7923 7.7923 7.9045 7.9045 8.2055 8.2055 8.7763 8.7763 9.1360 9.1360 9.4059 9.4059 10.0967 10.0967 10.8059 10.8059 10.9279 10.9279 11.2541 11.2541 11.7637 11.7637 11.9146 11.9146 13.0882 13.0882 13.4784 13.4784 k =-0.0888 0.2451 0.2607 ( 8687 PWs) bands (ev): -44.8648 -44.8648 -44.6913 -44.6913 -21.6886 -21.6886 -21.4690 -21.4690 -21.1118 -21.1118 -20.9410 -20.9410 -20.7712 -20.7712 -20.5395 -20.5395 -0.7900 -0.7900 -0.0380 -0.0380 5.8941 5.8941 7.8647 7.8647 8.0135 8.0135 8.2262 8.2262 8.7898 8.7898 9.1846 9.1846 9.3782 9.3782 10.0539 10.0539 10.7985 10.7985 10.8943 10.8943 11.2944 11.2944 11.6800 11.6800 11.9043 11.9043 13.0356 13.0356 13.5185 13.5185 k =-0.0829 0.2287 0.2433 ( 8687 PWs) bands (ev): -44.8668 -44.8668 -44.6894 -44.6894 -21.6924 -21.6924 -21.4684 -21.4684 -21.1169 -21.1169 -20.9407 -20.9407 -20.7675 -20.7675 -20.5329 -20.5329 -0.8203 -0.8203 -0.0551 -0.0551 5.8650 5.8650 7.9299 7.9299 8.1223 8.1223 8.2541 8.2541 8.8018 8.8018 9.2323 9.2323 9.3547 9.3547 10.0102 10.0102 10.7909 10.7909 10.8620 10.8620 11.3392 11.3392 11.5959 11.5959 11.8985 11.8985 12.9815 12.9815 13.5566 13.5566 k =-0.0770 0.2124 0.2259 ( 8683 PWs) bands (ev): -44.8686 -44.8686 -44.6875 -44.6875 -21.6960 -21.6960 -21.4679 -21.4679 -21.1217 -21.1217 -20.9403 -20.9403 -20.7640 -20.7640 -20.5266 -20.5266 -0.8489 -0.8489 -0.0714 -0.0714 5.8367 5.8367 7.9856 7.9856 8.2255 8.2255 8.2955 8.2955 8.8125 8.8125 9.2741 9.2741 9.3406 9.3406 9.9659 9.9659 10.7831 10.7831 10.8309 10.8309 11.3878 11.3878 11.5116 11.5116 11.8967 11.8967 12.9269 12.9269 13.5919 13.5919 k =-0.0710 0.1961 0.2085 ( 8689 PWs) bands (ev): -44.8704 -44.8704 -44.6859 -44.6859 -21.6994 -21.6994 -21.4675 -21.4675 -21.1262 -21.1262 -20.9399 -20.9399 -20.7607 -20.7607 -20.5207 -20.5207 -0.8757 -0.8757 -0.0867 -0.0867 5.8095 5.8095 8.0302 8.0302 8.3041 8.3041 8.3689 8.3689 8.8220 8.8220 9.2905 9.2905 9.3560 9.3560 9.9213 9.9213 10.7751 10.7751 10.8011 10.8011 11.4219 11.4219 11.4449 11.4449 11.8988 11.8988 12.8723 12.8723 13.6240 13.6240 k =-0.0651 0.1797 0.1912 ( 8689 PWs) bands (ev): -44.8720 -44.8720 -44.6843 -44.6843 -21.7025 -21.7025 -21.4671 -21.4671 -21.1304 -21.1304 -20.9396 -20.9396 -20.7575 -20.7575 -20.5153 -20.5153 -0.9007 -0.9007 -0.1011 -0.1011 5.7836 5.7836 8.0642 8.0642 8.3624 8.3624 8.4674 8.4674 8.8305 8.8305 9.2857 9.2857 9.3975 9.3975 9.8765 9.8765 10.7658 10.7658 10.7740 10.7740 11.3397 11.3397 11.4968 11.4968 11.9042 11.9042 12.8188 12.8188 13.6522 13.6522 k =-0.0592 0.1634 0.1738 ( 8675 PWs) bands (ev): -44.8734 -44.8734 -44.6829 -44.6829 -21.7053 -21.7053 -21.4668 -21.4668 -21.1342 -21.1342 -20.9393 -20.9393 -20.7546 -20.7546 -20.5103 -20.5103 -0.9237 -0.9237 -0.1145 -0.1145 5.7593 5.7593 8.0894 8.0894 8.4197 8.4197 8.5669 8.5669 8.8380 8.8380 9.2823 9.2823 9.4441 9.4441 9.8319 9.8319 10.7436 10.7436 10.7613 10.7613 11.2537 11.2537 11.5542 11.5542 11.9125 11.9125 12.7668 12.7668 13.6759 13.6759 k =-0.0533 0.1470 0.1564 ( 8663 PWs) bands (ev): -44.8748 -44.8748 -44.6816 -44.6816 -21.7079 -21.7079 -21.4665 -21.4665 -21.1376 -21.1376 -20.9390 -20.9390 -20.7520 -20.7520 -20.5058 -20.5058 -0.9447 -0.9447 -0.1267 -0.1267 5.7369 5.7369 8.1081 8.1081 8.4780 8.4780 8.6594 8.6594 8.8451 8.8451 9.2872 9.2872 9.4909 9.4909 9.7877 9.7877 10.7179 10.7179 10.7536 10.7536 11.1671 11.1671 11.6130 11.6130 11.9232 11.9232 12.7172 12.7172 13.6948 13.6948 k =-0.0474 0.1307 0.1390 ( 8665 PWs) bands (ev): -44.8760 -44.8760 -44.6804 -44.6804 -21.7103 -21.7103 -21.4662 -21.4662 -21.1408 -21.1408 -20.9387 -20.9387 -20.7495 -20.7495 -20.5017 -20.5017 -0.9637 -0.9637 -0.1378 -0.1378 5.7164 5.7164 8.1224 8.1224 8.5355 8.5355 8.7399 8.7399 8.8519 8.8519 9.3041 9.3041 9.5368 9.5368 9.7445 9.7445 10.6934 10.6934 10.7465 10.7465 11.0800 11.0800 11.6721 11.6721 11.9358 11.9358 12.6707 12.6707 13.7082 13.7082 k =-0.0414 0.1144 0.1216 ( 8667 PWs) bands (ev): -44.8770 -44.8770 -44.6794 -44.6794 -21.7124 -21.7124 -21.4660 -21.4660 -21.1435 -21.1435 -20.9384 -20.9384 -20.7474 -20.7474 -20.4980 -20.4980 -0.9806 -0.9806 -0.1477 -0.1477 5.6980 5.6980 8.1335 8.1335 8.5905 8.5905 8.8043 8.8043 8.8592 8.8592 9.3359 9.3359 9.5811 9.5811 9.7026 9.7026 10.6705 10.6705 10.7398 10.7398 10.9932 10.9932 11.7300 11.7300 11.9498 11.9498 12.6279 12.6279 13.7150 13.7150 k =-0.0355 0.0980 0.1043 ( 8677 PWs) bands (ev): -44.8779 -44.8779 -44.6785 -44.6785 -21.7142 -21.7142 -21.4659 -21.4659 -21.1459 -21.1459 -20.9382 -20.9382 -20.7455 -20.7455 -20.4948 -20.4948 -0.9953 -0.9953 -0.1564 -0.1564 5.6819 5.6819 8.1421 8.1421 8.6411 8.6411 8.8492 8.8492 8.8692 8.8692 9.3827 9.3827 9.6232 9.6232 9.6629 9.6629 10.6494 10.6494 10.7333 10.7333 10.9075 10.9075 11.7850 11.7850 11.9650 11.9650 12.5893 12.5893 13.7089 13.7089 k =-0.0296 0.0817 0.0869 ( 8677 PWs) bands (ev): -44.8787 -44.8787 -44.6777 -44.6777 -21.7157 -21.7157 -21.4658 -21.4658 -21.1480 -21.1480 -20.9380 -20.9380 -20.7438 -20.7438 -20.4922 -20.4922 -1.0078 -1.0078 -0.1638 -0.1638 5.6681 5.6681 8.1489 8.1489 8.6854 8.6854 8.8703 8.8703 8.8883 8.8883 9.4402 9.4402 9.6243 9.6243 9.6652 9.6652 10.6305 10.6305 10.7258 10.7258 10.8253 10.8253 11.8349 11.8349 11.9811 11.9811 12.5556 12.5556 13.6844 13.6844 k =-0.0237 0.0654 0.0695 ( 8677 PWs) bands (ev): -44.8794 -44.8794 -44.6771 -44.6771 -21.7170 -21.7170 -21.4657 -21.4657 -21.1496 -21.1496 -20.9379 -20.9379 -20.7425 -20.7425 -20.4899 -20.4899 -1.0181 -1.0181 -0.1699 -0.1699 5.6567 5.6567 8.1542 8.1542 8.7216 8.7216 8.8826 8.8826 8.9060 8.9060 9.5011 9.5011 9.5909 9.5909 9.7042 9.7042 10.6141 10.6141 10.7092 10.7092 10.7571 10.7571 11.8773 11.8773 11.9980 11.9980 12.5273 12.5273 13.6542 13.6542 k =-0.0178 0.0490 0.0521 ( 8673 PWs) bands (ev): -44.8799 -44.8799 -44.6766 -44.6766 -21.7180 -21.7180 -21.4656 -21.4656 -21.1509 -21.1509 -20.9377 -20.9377 -20.7415 -20.7415 -20.4882 -20.4882 -1.0261 -1.0261 -0.1746 -0.1746 5.6477 5.6477 8.1581 8.1581 8.7485 8.7485 8.8952 8.8952 8.9169 8.9169 9.5562 9.5562 9.5626 9.5626 9.7424 9.7424 10.6006 10.6006 10.6572 10.6572 10.7324 10.7324 11.9101 11.9101 12.0153 12.0153 12.5049 12.5049 13.6257 13.6257 k =-0.0118 0.0327 0.0348 ( 8681 PWs) bands (ev): -44.8802 -44.8802 -44.6762 -44.6762 -21.7187 -21.7187 -21.4655 -21.4655 -21.1518 -21.1518 -20.9377 -20.9377 -20.7407 -20.7407 -20.4870 -20.4870 -1.0319 -1.0319 -0.1781 -0.1781 5.6413 5.6413 8.1609 8.1609 8.7662 8.7662 8.9075 8.9075 8.9231 8.9231 9.5397 9.5397 9.5995 9.5995 9.7781 9.7781 10.5886 10.5886 10.6017 10.6017 10.7265 10.7265 11.9322 11.9322 12.0312 12.0312 12.4886 12.4886 13.6025 13.6025 k =-0.0059 0.0163 0.0174 ( 8685 PWs) bands (ev): -44.8804 -44.8804 -44.6760 -44.6760 -21.7191 -21.7191 -21.4655 -21.4655 -21.1524 -21.1524 -20.9376 -20.9376 -20.7403 -20.7403 -20.4862 -20.4862 -1.0353 -1.0353 -0.1801 -0.1801 5.6375 5.6375 8.1625 8.1625 8.7758 8.7758 8.9165 8.9165 8.9261 8.9261 9.5254 9.5254 9.6253 9.6253 9.8054 9.8054 10.5574 10.5574 10.5860 10.5860 10.7240 10.7240 11.9446 11.9446 12.0427 12.0427 12.4787 12.4787 13.5874 13.5874 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0365 -1.0365 -0.1808 -0.1808 5.6362 5.6362 8.1630 8.1630 8.7789 8.7789 8.9198 8.9198 8.9271 8.9271 9.5205 9.5205 9.6338 9.6338 9.8158 9.8158 10.5429 10.5429 10.5837 10.5837 10.7232 10.7232 11.9486 11.9486 12.0469 12.0469 12.4754 12.4754 13.5822 13.5822 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0365 -1.0365 -0.1808 -0.1808 5.6362 5.6362 8.1630 8.1630 8.7789 8.7789 8.9198 8.9198 8.9271 8.9271 9.5205 9.5205 9.6338 9.6338 9.8158 9.8158 10.5429 10.5429 10.5837 10.5837 10.7232 10.7232 11.9486 11.9486 12.0469 12.0469 12.4754 12.4754 13.5822 13.5822 k = 0.0227 0.0082-0.0000 ( 8683 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0356 -1.0356 -0.1821 -0.1821 5.6377 5.6377 8.1587 8.1587 8.7774 8.7774 8.9184 8.9184 8.9303 8.9303 9.5186 9.5186 9.6360 9.6360 9.8182 9.8182 10.5462 10.5462 10.5839 10.5839 10.7225 10.7225 11.9494 11.9494 12.0476 12.0476 12.4747 12.4747 13.5828 13.5828 k = 0.0455 0.0165-0.0000 ( 8667 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0328 -1.0328 -0.1858 -0.1858 5.6425 5.6425 8.1462 8.1462 8.7732 8.7732 8.9140 8.9140 8.9396 8.9396 9.5130 9.5130 9.6425 9.6425 9.8251 9.8251 10.5558 10.5558 10.5846 10.5846 10.7204 10.7204 11.9517 11.9517 12.0498 12.0498 12.4728 12.4728 13.5847 13.5847 k = 0.0682 0.0247-0.0000 ( 8683 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0283 -1.0283 -0.1920 -0.1920 5.6502 5.6502 8.1265 8.1265 8.7664 8.7664 8.9069 8.9069 8.9536 8.9536 9.5040 9.5040 9.6531 9.6531 9.8365 9.8365 10.5705 10.5705 10.5868 10.5868 10.7173 10.7173 11.9556 11.9556 12.0535 12.0535 12.4695 12.4695 13.5878 13.5878 k = 0.0909 0.0329-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0219 -1.0219 -0.2006 -0.2006 5.6609 5.6609 8.1010 8.1010 8.7573 8.7573 8.8975 8.8975 8.9708 8.9708 9.4921 9.4921 9.6674 9.6674 9.8519 9.8519 10.5817 10.5817 10.5986 10.5986 10.7138 10.7138 11.9610 11.9610 12.0585 12.0585 12.4651 12.4651 13.5921 13.5921 k = 0.1136 0.0412-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0138 -1.0138 -0.2116 -0.2116 5.6744 5.6744 8.0713 8.0713 8.7462 8.7462 8.8861 8.8861 8.9894 8.9894 9.4777 9.4777 9.6850 9.6850 9.8707 9.8707 10.5846 10.5846 10.6239 10.6239 10.7104 10.7104 11.9678 11.9678 12.0649 12.0649 12.4596 12.4596 13.5973 13.5973 k = 0.1364 0.0494-0.0000 ( 8676 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -1.0039 -1.0039 -0.2248 -0.2248 5.6904 5.6904 8.0388 8.0388 8.7336 8.7336 8.8731 8.8731 9.0073 9.0073 9.4614 9.4614 9.7053 9.7053 9.8926 9.8926 10.5863 10.5863 10.6549 10.6549 10.7080 10.7080 11.9760 11.9760 12.0726 12.0726 12.4533 12.4533 13.5918 13.5918 k = 0.1591 0.0577-0.0000 ( 8688 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.9923 -0.9923 -0.2401 -0.2401 5.7086 5.7086 8.0048 8.0048 8.7198 8.7198 8.8590 8.8590 9.0232 9.0232 9.4438 9.4438 9.7277 9.7277 9.9169 9.9169 10.5880 10.5880 10.6899 10.6899 10.7074 10.7074 11.9854 11.9854 12.0814 12.0814 12.4461 12.4461 13.5553 13.5553 k = 0.1818 0.0659-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.9791 -0.9791 -0.2575 -0.2575 5.7288 5.7288 7.9703 7.9703 8.7053 8.7053 8.8441 8.8441 9.0358 9.0358 9.4254 9.4254 9.7518 9.7518 9.9430 9.9430 10.5897 10.5897 10.7093 10.7093 10.7279 10.7279 11.9960 11.9960 12.0913 12.0913 12.4384 12.4384 13.5183 13.5183 k = 0.2045 0.0741-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.9642 -0.9642 -0.2766 -0.2766 5.7506 5.7506 7.9362 7.9362 8.6905 8.6905 8.8289 8.8289 9.0440 9.0440 9.4067 9.4067 9.7770 9.7770 9.9704 9.9704 10.5914 10.5914 10.7141 10.7141 10.7680 10.7680 12.0076 12.0076 12.1020 12.1020 12.4302 12.4302 13.4814 13.4814 k = 0.2273 0.0824-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.9479 -0.9479 -0.2975 -0.2975 5.7736 5.7736 7.9032 7.9032 8.6757 8.6757 8.8137 8.8137 9.0474 9.0474 9.3880 9.3880 9.8028 9.8028 9.9984 9.9984 10.5933 10.5933 10.7223 10.7223 10.8096 10.8096 12.0200 12.0200 12.1135 12.1135 12.4218 12.4218 13.4453 13.4453 k = 0.2500 0.0906-0.0000 ( 8668 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.9300 -0.9300 -0.3199 -0.3199 5.7973 5.7973 7.8718 7.8718 8.6611 8.6611 8.7988 8.7988 9.0460 9.0460 9.3699 9.3699 9.8286 9.8286 10.0266 10.0266 10.5951 10.5951 10.7337 10.7337 10.8518 10.8518 12.0330 12.0330 12.1255 12.1255 12.4134 12.4134 13.4103 13.4103 k = 0.2727 0.0988-0.0000 ( 8668 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.9109 -0.9109 -0.3437 -0.3437 5.8213 5.8213 7.8426 7.8426 8.6471 8.6471 8.7845 8.7845 9.0399 9.0399 9.3525 9.3525 9.8540 9.8540 10.0544 10.0544 10.5970 10.5970 10.7483 10.7483 10.8939 10.8939 12.0464 12.0464 12.1378 12.1378 12.4051 12.4051 13.3767 13.3767 k = 0.2955 0.1071-0.0000 ( 8696 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.8904 -0.8904 -0.3686 -0.3686 5.8451 5.8451 7.8157 7.8157 8.6339 8.6339 8.7709 8.7709 9.0299 9.0299 9.3361 9.3361 9.8786 9.8786 10.0813 10.0813 10.5988 10.5988 10.7653 10.7653 10.9351 10.9351 12.0599 12.0599 12.1502 12.1502 12.3972 12.3972 13.3449 13.3449 k = 0.3182 0.1153-0.0000 ( 8704 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.8689 -0.8689 -0.3944 -0.3944 5.8682 5.8682 7.7915 7.7915 8.6216 8.6216 8.7583 8.7583 9.0167 9.0167 9.3209 9.3209 9.9019 9.9019 10.1068 10.1068 10.6006 10.6006 10.7841 10.7841 10.9749 10.9749 12.0733 12.0733 12.1623 12.1623 12.3897 12.3897 13.3153 13.3153 k = 0.3409 0.1235-0.0000 ( 8688 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.8464 -0.8464 -0.4209 -0.4209 5.8901 5.8901 7.7701 7.7701 8.6104 8.6104 8.7469 8.7469 9.0014 9.0014 9.3072 9.3072 9.9235 9.9235 10.1306 10.1306 10.6023 10.6023 10.8038 10.8038 11.0123 11.0123 12.0862 12.0862 12.1740 12.1740 12.3828 12.3828 13.2880 13.2880 k = 0.3636 0.1318-0.0000 ( 8672 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.8232 -0.8232 -0.4477 -0.4477 5.9103 5.9103 7.7517 7.7517 8.6005 8.6005 8.7367 8.7367 8.9851 8.9851 9.2950 9.2950 9.9430 9.9430 10.1521 10.1521 10.6038 10.6038 10.8234 10.8234 11.0466 11.0466 12.0983 12.0983 12.1849 12.1849 12.3767 12.3767 13.2636 13.2636 k = 0.3864 0.1400-0.0000 ( 8680 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.7996 -0.7996 -0.4745 -0.4745 5.9283 5.9283 7.7362 7.7362 8.5919 8.5919 8.7279 8.7279 8.9689 8.9689 9.2845 9.2845 9.9601 9.9601 10.1710 10.1710 10.6051 10.6051 10.8420 10.8420 11.0773 11.0773 12.1093 12.1093 12.1947 12.1947 12.3714 12.3714 13.2421 13.2421 k = 0.4091 0.1482-0.0000 ( 8680 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.7761 -0.7761 -0.5007 -0.5007 5.9437 5.9437 7.7236 7.7236 8.5848 8.5848 8.7206 8.7206 8.9540 8.9540 9.2758 9.2758 9.9746 9.9746 10.1870 10.1870 10.6062 10.6062 10.8586 10.8586 11.1034 11.1034 12.1189 12.1189 12.2031 12.2031 12.3670 12.3670 13.2241 13.2241 k = 0.4318 0.1565-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.7535 -0.7535 -0.5254 -0.5254 5.9561 5.9561 7.7139 7.7139 8.5791 8.5791 8.7149 8.7149 8.9414 8.9414 9.2690 9.2690 9.9861 9.9861 10.1997 10.1997 10.6072 10.6072 10.8724 10.8724 11.1245 11.1245 12.1267 12.1267 12.2099 12.2099 12.3636 12.3637 13.2097 13.2097 k = 0.4545 0.1647-0.0000 ( 8676 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.7334 -0.7334 -0.5471 -0.5471 5.9652 5.9652 7.7070 7.7070 8.5751 8.5751 8.7107 8.7107 8.9317 8.9317 9.2640 9.2640 9.9945 9.9945 10.2090 10.2090 10.6078 10.6078 10.8828 10.8828 11.1399 11.1399 12.1325 12.1325 12.2149 12.2149 12.3612 12.3612 13.1992 13.1992 k = 0.4773 0.1730-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.7184 -0.7184 -0.5630 -0.5630 5.9707 5.9707 7.7029 7.7029 8.5726 8.5726 8.7082 8.7082 8.9256 8.9256 9.2611 9.2611 9.9996 9.9996 10.2146 10.2146 10.6082 10.6082 10.8893 10.8893 11.1494 11.1494 12.1360 12.1360 12.2180 12.2180 12.3598 12.3598 13.1929 13.1929 k = 0.5000 0.1812-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.7127 -0.7127 -0.5691 -0.5691 5.9726 5.9726 7.7016 7.7016 8.5718 8.5718 8.7074 8.7074 8.9236 8.9236 9.2601 9.2601 10.0013 10.0013 10.2165 10.2165 10.6084 10.6084 10.8914 10.8914 11.1526 11.1526 12.1372 12.1372 12.2190 12.2190 12.3593 12.3593 13.1907 13.1907 k = 0.5000 0.1812-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.7127 -0.7127 -0.5691 -0.5691 5.9726 5.9726 7.7016 7.7016 8.5718 8.5718 8.7074 8.7074 8.9236 8.9236 9.2601 9.2601 10.0013 10.0013 10.2165 10.2165 10.6084 10.6084 10.8914 10.8914 11.1526 11.1526 12.1372 12.1372 12.2190 12.2190 12.3593 12.3593 13.1907 13.1907 k = 0.4940 0.1977 0.0176 ( 8672 PWs) bands (ev): -44.8804 -44.8804 -44.6760 -44.6760 -21.7191 -21.7191 -21.4655 -21.4655 -21.1524 -21.1524 -20.9376 -20.9376 -20.7403 -20.7403 -20.4863 -20.4863 -0.7117 -0.7117 -0.5681 -0.5681 5.9740 5.9740 7.6974 7.6974 8.5722 8.5722 8.7075 8.7075 8.9228 8.9228 9.2518 9.2518 10.0038 10.0038 10.2174 10.2174 10.6106 10.6106 10.8915 10.8915 11.1550 11.1550 12.1347 12.1347 12.2161 12.2161 12.3563 12.3563 13.1845 13.1845 k = 0.4880 0.2142 0.0352 ( 8672 PWs) bands (ev): -44.8802 -44.8802 -44.6762 -44.6762 -21.7187 -21.7187 -21.4656 -21.4656 -21.1518 -21.1518 -20.9377 -20.9377 -20.7407 -20.7407 -20.4870 -20.4870 -0.7087 -0.7087 -0.5652 -0.5652 5.9783 5.9783 7.6851 7.6851 8.5733 8.5733 8.7077 8.7077 8.9200 8.9200 9.2287 9.2287 10.0094 10.0094 10.2214 10.2214 10.6174 10.6174 10.8917 10.8917 11.1621 11.1621 12.1271 12.1271 12.2078 12.2078 12.3476 12.3476 13.1667 13.1667 k = 0.4820 0.2308 0.0527 ( 8672 PWs) bands (ev): -44.8798 -44.8798 -44.6766 -44.6766 -21.7179 -21.7179 -21.4656 -21.4656 -21.1509 -21.1509 -20.9377 -20.9377 -20.7415 -20.7415 -20.4883 -20.4883 -0.7037 -0.7037 -0.5603 -0.5603 5.9854 5.9854 7.6649 7.6649 8.5746 8.5746 8.7083 8.7083 8.9127 8.9127 9.1952 9.1952 10.0134 10.0134 10.2315 10.2315 10.6282 10.6282 10.8918 10.8918 11.1738 11.1738 12.1143 12.1143 12.1958 12.1958 12.3338 12.3338 13.1389 13.1389 k = 0.4760 0.2473 0.0703 ( 8674 PWs) bands (ev): -44.8793 -44.8793 -44.6771 -44.6771 -21.7169 -21.7169 -21.4657 -21.4657 -21.1496 -21.1496 -20.9379 -20.9379 -20.7426 -20.7426 -20.4900 -20.4900 -0.6969 -0.6969 -0.5535 -0.5535 5.9953 5.9953 7.6375 7.6375 8.5755 8.5755 8.7094 8.7094 8.8965 8.8965 9.1589 9.1589 10.0105 10.0105 10.2508 10.2508 10.6426 10.6426 10.8919 10.8919 11.1897 11.1897 12.0964 12.0964 12.1817 12.1817 12.3156 12.3156 13.1035 13.1036 k = 0.4701 0.2638 0.0879 ( 8664 PWs) bands (ev): -44.8787 -44.8787 -44.6777 -44.6777 -21.7156 -21.7156 -21.4658 -21.4658 -21.1478 -21.1478 -20.9380 -20.9380 -20.7440 -20.7440 -20.4923 -20.4923 -0.6880 -0.6880 -0.5448 -0.5448 6.0079 6.0079 7.6035 7.6035 8.5756 8.5756 8.7112 8.7112 8.8647 8.8647 9.1291 9.1291 9.9980 9.9980 10.2803 10.2803 10.6601 10.6601 10.8916 10.8916 11.2095 11.2095 12.0741 12.0741 12.1673 12.1673 12.2941 12.2941 13.0627 13.0627 k = 0.4641 0.2804 0.1055 ( 8666 PWs) bands (ev): -44.8779 -44.8779 -44.6785 -44.6785 -21.7141 -21.7141 -21.4659 -21.4659 -21.1458 -21.1458 -20.9382 -20.9382 -20.7456 -20.7456 -20.4951 -20.4951 -0.6773 -0.6773 -0.5343 -0.5343 6.0233 6.0233 7.5636 7.5636 8.5741 8.5741 8.7137 8.7137 8.8126 8.8126 9.1126 9.1126 9.9763 9.9763 10.3184 10.3184 10.6803 10.6803 10.8908 10.8908 11.2325 11.2325 12.0488 12.0488 12.1533 12.1533 12.2702 12.2702 13.0181 13.0181 k = 0.4581 0.2969 0.1231 ( 8662 PWs) bands (ev): -44.8769 -44.8769 -44.6794 -44.6794 -21.7122 -21.7122 -21.4661 -21.4661 -21.1433 -21.1433 -20.9385 -20.9385 -20.7476 -20.7476 -20.4983 -20.4983 -0.6647 -0.6647 -0.5218 -0.5218 6.0414 6.0414 7.5185 7.5185 8.5706 8.5706 8.7169 8.7169 8.7416 8.7416 9.1099 9.1099 9.9469 9.9469 10.3628 10.3628 10.7028 10.7028 10.8892 10.8892 11.2582 11.2582 12.0223 12.0223 12.1403 12.1403 12.2451 12.2451 12.9715 12.9715 k = 0.4521 0.3134 0.1406 ( 8658 PWs) bands (ev): -44.8758 -44.8758 -44.6805 -44.6805 -21.7101 -21.7101 -21.4663 -21.4663 -21.1405 -21.1405 -20.9387 -20.9387 -20.7498 -20.7498 -20.5020 -20.5020 -0.6503 -0.6503 -0.5076 -0.5076 6.0621 6.0621 7.4691 7.4691 8.5649 8.5649 8.6567 8.6567 8.7206 8.7206 9.1177 9.1177 9.9115 9.9115 10.4115 10.4115 10.7273 10.7273 10.8866 10.8866 11.2858 11.2858 11.9959 11.9959 12.1285 12.1285 12.2196 12.2196 12.9244 12.9244 k = 0.4461 0.3299 0.1582 ( 8664 PWs) bands (ev): -44.8746 -44.8746 -44.6817 -44.6817 -21.7077 -21.7077 -21.4666 -21.4666 -21.1373 -21.1373 -20.9390 -20.9390 -20.7523 -20.7523 -20.5062 -20.5062 -0.6341 -0.6341 -0.4916 -0.4916 6.0854 6.0854 7.4159 7.4159 8.5515 8.5515 8.5674 8.5674 8.7245 8.7245 9.1327 9.1327 9.8712 9.8712 10.4631 10.4631 10.7537 10.7537 10.8830 10.8830 11.3144 11.3144 11.9710 11.9710 12.1184 12.1184 12.1947 12.1947 12.8780 12.8780 k = 0.4401 0.3465 0.1758 ( 8680 PWs) bands (ev): -44.8733 -44.8733 -44.6830 -44.6830 -21.7050 -21.7050 -21.4668 -21.4668 -21.1338 -21.1338 -20.9393 -20.9393 -20.7550 -20.7550 -20.5109 -20.5109 -0.6162 -0.6162 -0.4740 -0.4740 6.1110 6.1110 7.3596 7.3596 8.4578 8.4578 8.5493 8.5493 8.7281 8.7281 9.1529 9.1529 9.8268 9.8268 10.5166 10.5166 10.7817 10.7817 10.8783 10.8783 11.3429 11.3429 11.9484 11.9484 12.1100 12.1100 12.1714 12.1714 12.8339 12.8339 k = 0.4341 0.3630 0.1934 ( 8690 PWs) bands (ev): -44.8718 -44.8718 -44.6845 -44.6845 -21.7021 -21.7021 -21.4672 -21.4672 -21.1299 -21.1299 -20.9396 -20.9396 -20.7579 -20.7579 -20.5160 -20.5160 -0.5966 -0.5966 -0.4547 -0.4547 6.1391 6.1391 7.3007 7.3007 8.3507 8.3507 8.5378 8.5378 8.7313 8.7313 9.1773 9.1773 9.7792 9.7792 10.5708 10.5708 10.8113 10.8113 10.8730 10.8730 11.3703 11.3703 11.9288 11.9288 12.1029 12.1029 12.1511 12.1511 12.7934 12.7934 k = 0.4281 0.3795 0.2110 ( 8698 PWs) bands (ev): -44.8701 -44.8701 -44.6861 -44.6861 -21.6989 -21.6989 -21.4676 -21.4676 -21.1256 -21.1256 -20.9400 -20.9400 -20.7611 -20.7611 -20.5215 -20.5215 -0.5754 -0.5754 -0.4338 -0.4338 6.1693 6.1693 7.2397 7.2397 8.2396 8.2396 8.5250 8.5250 8.7336 8.7336 9.2051 9.2051 9.7288 9.7288 10.6243 10.6243 10.8421 10.8421 10.8683 10.8683 11.3953 11.3953 11.9126 11.9126 12.0952 12.0952 12.1368 12.1368 12.7580 12.7580 k = 0.4221 0.3961 0.2285 ( 8692 PWs) bands (ev): -44.8684 -44.8684 -44.6878 -44.6878 -21.6955 -21.6955 -21.4680 -21.4680 -21.1210 -21.1210 -20.9404 -20.9404 -20.7645 -20.7645 -20.5275 -20.5275 -0.5528 -0.5528 -0.4114 -0.4114 6.2016 6.2016 7.1772 7.1772 8.1257 8.1257 8.5108 8.5108 8.7347 8.7347 9.2357 9.2357 9.6762 9.6762 10.6739 10.6739 10.8638 10.8638 10.8775 10.8775 11.4167 11.4167 11.9000 11.9000 12.0845 12.0845 12.1316 12.1316 12.7289 12.7289 k = 0.4161 0.4126 0.2461 ( 8684 PWs) bands (ev): -44.8665 -44.8665 -44.6897 -44.6897 -21.6918 -21.6918 -21.4686 -21.4686 -21.1161 -21.1161 -20.9407 -20.9407 -20.7681 -20.7681 -20.5339 -20.5339 -0.5287 -0.5287 -0.3877 -0.3877 6.2357 6.2357 7.1136 7.1136 8.0099 8.0099 8.4956 8.4956 8.7345 8.7345 9.2688 9.2688 9.6218 9.6218 10.7131 10.7131 10.8727 10.8727 10.9107 10.9107 11.4332 11.4332 11.8912 11.8912 12.0714 12.0714 12.1354 12.1354 12.7073 12.7073 k = 0.4102 0.4291 0.2637 ( 8688 PWs) bands (ev): -44.8645 -44.8645 -44.6916 -44.6916 -21.6879 -21.6879 -21.4692 -21.4692 -21.1108 -21.1108 -20.9411 -20.9411 -20.7718 -20.7718 -20.5407 -20.5407 -0.5033 -0.5033 -0.3626 -0.3626 6.2715 6.2715 7.0492 7.0492 7.8930 7.8930 8.4794 8.4794 8.7328 8.7328 9.3041 9.3041 9.5661 9.5661 10.7327 10.7327 10.8990 10.8990 10.9466 10.9466 11.4441 11.4441 11.8859 11.8859 12.0586 12.0586 12.1461 12.1461 12.6940 12.6940 k = 0.4042 0.4456 0.2813 ( 8688 PWs) bands (ev): -44.8623 -44.8623 -44.6937 -44.6937 -21.6838 -21.6838 -21.4699 -21.4699 -21.1053 -21.1053 -20.9415 -20.9415 -20.7757 -20.7757 -20.5479 -20.5479 -0.4767 -0.4767 -0.3363 -0.3363 6.3086 6.3086 6.9845 6.9845 7.7759 7.7759 8.4625 8.4625 8.7294 8.7294 9.3411 9.3411 9.5097 9.5097 10.7325 10.7325 10.9438 10.9438 10.9845 10.9845 11.4485 11.4485 11.8843 11.8843 12.0474 12.0474 12.1627 12.1627 12.6893 12.6893 k = 0.3982 0.4622 0.2989 ( 8688 PWs) bands (ev): -44.8601 -44.8601 -44.6960 -44.6960 -21.6795 -21.6795 -21.4707 -21.4707 -21.0994 -21.0994 -20.9419 -20.9419 -20.7797 -20.7797 -20.5555 -20.5555 -0.4490 -0.4490 -0.3089 -0.3089 6.3467 6.3467 6.9199 6.9199 7.6593 7.6593 8.4450 8.4450 8.7243 8.7243 9.3789 9.3789 9.4536 9.4536 10.7203 10.7203 10.9982 10.9982 11.0257 11.0257 11.4462 11.4462 11.8861 11.8861 12.0384 12.0384 12.1847 12.1847 12.6930 12.6930 k = 0.3922 0.4787 0.3164 ( 8692 PWs) bands (ev): -44.8577 -44.8577 -44.6983 -44.6983 -21.6749 -21.6749 -21.4716 -21.4716 -21.0932 -21.0932 -20.9422 -20.9422 -20.7839 -20.7839 -20.5634 -20.5634 -0.4203 -0.4203 -0.2804 -0.2804 6.3852 6.3852 6.8557 6.8557 7.5440 7.5440 8.4270 8.4270 8.7174 8.7174 9.3891 9.3891 9.4264 9.4264 10.7019 10.7019 11.0512 11.0512 11.0757 11.0757 11.4375 11.4375 11.8911 11.8911 12.0320 12.0320 12.2118 12.2118 12.7039 12.7039 k = 0.3862 0.4952 0.3340 ( 8688 PWs) bands (ev): -44.8552 -44.8552 -44.7007 -44.7007 -21.6702 -21.6702 -21.4726 -21.4726 -21.0868 -21.0868 -20.9426 -20.9426 -20.7880 -20.7880 -20.5717 -20.5717 -0.3908 -0.3908 -0.2511 -0.2511 6.4233 6.4233 6.7922 6.7922 7.4312 7.4312 8.4088 8.4088 8.7087 8.7087 9.3352 9.3352 9.4643 9.4643 10.6801 10.6801 11.0969 11.0969 11.1376 11.1376 11.4230 11.4230 11.8992 11.8992 12.0283 12.0283 12.2439 12.2439 12.7205 12.7205 k = 0.3802 0.5118 0.3516 ( 8690 PWs) bands (ev): -44.8526 -44.8526 -44.7033 -44.7033 -21.6653 -21.6653 -21.4737 -21.4737 -21.0801 -21.0801 -20.9430 -20.9430 -20.7923 -20.7923 -20.5803 -20.5803 -0.3606 -0.3606 -0.2211 -0.2211 6.4599 6.4599 6.7299 6.7299 7.3221 7.3221 8.3906 8.3906 8.6982 8.6982 9.2788 9.2788 9.5061 9.5061 10.6564 10.6564 11.1409 11.1409 11.2047 11.2047 11.4034 11.4034 11.9100 11.9100 12.0273 12.0273 12.2807 12.2807 12.7401 12.7401 k = 0.3742 0.5283 0.3692 ( 8692 PWs) bands (ev): -44.8499 -44.8499 -44.7060 -44.7060 -21.6602 -21.6602 -21.4750 -21.4750 -21.0732 -21.0732 -20.9433 -20.9433 -20.7965 -20.7965 -20.5891 -20.5891 -0.3298 -0.3298 -0.1904 -0.1904 6.4926 6.4926 6.6695 6.6695 7.2187 7.2187 8.3724 8.3724 8.6859 8.6859 9.2227 9.2227 9.5485 9.5485 10.6319 10.6319 11.1852 11.1852 11.2739 11.2739 11.3798 11.3798 11.9234 11.9234 12.0289 12.0289 12.3219 12.3219 12.7599 12.7599 k = 0.3682 0.5448 0.3868 ( 8690 PWs) bands (ev): -44.8471 -44.8471 -44.7087 -44.7087 -21.6550 -21.6550 -21.4763 -21.4763 -21.0660 -21.0660 -20.9436 -20.9436 -20.8007 -20.8007 -20.5983 -20.5983 -0.2987 -0.2987 -0.1592 -0.1592 6.5171 6.5171 6.6126 6.6126 7.1245 7.1245 8.3545 8.3545 8.6720 8.6720 9.1675 9.1675 9.5911 9.5911 10.6073 10.6073 11.2303 11.2303 11.3426 11.3426 11.3551 11.3551 11.9391 11.9391 12.0331 12.0331 12.3674 12.3674 12.7767 12.7767 k = 0.3622 0.5613 0.4043 ( 8702 PWs) bands (ev): -44.8442 -44.8442 -44.7116 -44.7116 -21.6496 -21.6496 -21.4779 -21.4779 -21.0586 -21.0586 -20.9438 -20.9438 -20.8049 -20.8049 -20.6078 -20.6078 -0.2674 -0.2674 -0.1277 -0.1277 6.5197 6.5197 6.5680 6.5680 7.0447 7.0447 8.3369 8.3369 8.6564 8.6564 9.1134 9.1134 9.6332 9.6332 10.5835 10.5835 11.2745 11.2745 11.3260 11.3260 11.4160 11.4160 11.9568 11.9568 12.0396 12.0396 12.4167 12.4167 12.7881 12.7881 k = 0.3563 0.5779 0.4219 ( 8698 PWs) bands (ev): -44.8412 -44.8412 -44.7145 -44.7145 -21.6441 -21.6441 -21.4796 -21.4796 -21.0511 -21.0511 -20.9441 -20.9441 -20.8090 -20.8090 -20.6175 -20.6175 -0.2361 -0.2361 -0.0961 -0.0961 6.4820 6.4820 6.5465 6.5465 6.9870 6.9870 8.3199 8.3199 8.6393 8.6393 9.0608 9.0608 9.6743 9.6743 10.5612 10.5612 11.2861 11.2861 11.3315 11.3315 11.4873 11.4873 11.9762 11.9762 12.0484 12.0484 12.4694 12.4694 12.7927 12.7927 k = 0.3503 0.5944 0.4395 ( 8702 PWs) bands (ev): -44.8381 -44.8381 -44.7176 -44.7176 -21.6385 -21.6385 -21.4815 -21.4815 -21.0434 -21.0434 -20.9442 -20.9442 -20.8129 -20.8129 -20.6274 -20.6274 -0.2050 -0.2050 -0.0644 -0.0644 6.4319 6.4319 6.5144 6.5144 6.9580 6.9580 8.3035 8.3035 8.6208 8.6208 9.0097 9.0097 9.7138 9.7138 10.5411 10.5411 11.2573 11.2573 11.3774 11.3774 11.5586 11.5586 11.9971 11.9971 12.0591 12.0591 12.5249 12.5249 12.7908 12.7908 k = 0.3443 0.6109 0.4571 ( 8716 PWs) bands (ev): -44.8349 -44.8349 -44.7207 -44.7207 -21.6327 -21.6327 -21.4835 -21.4835 -21.0356 -21.0356 -20.9444 -20.9444 -20.8167 -20.8167 -20.6375 -20.6375 -0.1743 -0.1743 -0.0328 -0.0328 6.3818 6.3818 6.4608 6.4608 6.9562 6.9562 8.2880 8.2880 8.6010 8.6010 8.9605 8.9605 9.7509 9.7509 10.5241 10.5241 11.2256 11.2256 11.4268 11.4268 11.6295 11.6295 12.0191 12.0191 12.0714 12.0714 12.5822 12.5822 12.7837 12.7837 k = 0.3383 0.6274 0.4747 ( 8708 PWs) bands (ev): -44.8317 -44.8317 -44.7239 -44.7239 -21.6269 -21.6269 -21.4857 -21.4857 -21.0278 -21.0278 -20.9444 -20.9444 -20.8202 -20.8202 -20.6477 -20.6477 -0.1442 -0.1442 -0.0016 -0.0016 6.3339 6.3339 6.3922 6.3922 6.9734 6.9734 8.2734 8.2734 8.5802 8.5802 8.9131 8.9131 9.7851 9.7851 10.5109 10.5109 11.1934 11.1934 11.4775 11.4775 11.6997 11.6997 12.0417 12.0417 12.0850 12.0850 12.6396 12.6396 12.7741 12.7741 k = 0.3323 0.6440 0.4922 ( 8706 PWs) bands (ev): -44.8283 -44.8283 -44.7272 -44.7272 -21.6210 -21.6210 -21.4881 -21.4881 -21.0199 -21.0199 -20.9445 -20.9445 -20.8234 -20.8234 -20.6582 -20.6582 -0.1150 -0.1150 0.0292 0.0292 6.2885 6.2885 6.3163 6.3163 7.0016 7.0016 8.2599 8.2599 8.5584 8.5584 8.8679 8.8679 9.8155 9.8155 10.5024 10.5024 11.1614 11.1614 11.5290 11.5290 11.7690 11.7690 12.0646 12.0646 12.0994 12.0994 12.6901 12.6901 12.7693 12.7694 k = 0.3263 0.6605 0.5098 ( 8692 PWs) bands (ev): -44.8249 -44.8249 -44.7306 -44.7306 -21.6151 -21.6151 -21.4907 -21.4907 -21.0121 -21.0121 -20.9444 -20.9444 -20.8263 -20.8263 -20.6687 -20.6687 -0.0869 -0.0869 0.0592 0.0592 6.2364 6.2364 6.2479 6.2479 7.0355 7.0355 8.2476 8.2476 8.5358 8.5358 8.8249 8.8249 9.8416 9.8416 10.4990 10.4990 11.1297 11.1297 11.5812 11.5812 11.8369 11.8369 12.0869 12.0869 12.1144 12.1144 12.7093 12.7094 12.7653 12.7653 k = 0.3203 0.6770 0.5274 ( 8690 PWs) bands (ev): -44.8215 -44.8215 -44.7340 -44.7340 -21.6091 -21.6091 -21.4935 -21.4935 -21.0045 -21.0045 -20.9443 -20.9443 -20.8288 -20.8288 -20.6794 -20.6794 -0.0602 -0.0602 0.0885 0.0885 6.1596 6.1596 6.2085 6.2085 7.0720 7.0720 8.2366 8.2366 8.5126 8.5126 8.7841 8.7841 9.8630 9.8630 10.5012 10.5012 11.0986 11.0986 11.6337 11.6337 11.9034 11.9034 12.1064 12.1064 12.1305 12.1305 12.6970 12.6970 12.7197 12.7197 k = 0.3143 0.6936 0.5450 ( 8702 PWs) bands (ev): -44.8180 -44.8180 -44.7375 -44.7375 -21.6031 -21.6031 -21.4965 -21.4965 -20.9970 -20.9970 -20.9442 -20.9442 -20.8308 -20.8308 -20.6901 -20.6901 -0.0350 -0.0350 0.1167 0.1167 6.0845 6.0845 6.1735 6.1735 7.1091 7.1091 8.2269 8.2269 8.4890 8.4890 8.7457 8.7457 9.8797 9.8797 10.5090 10.5090 11.0683 11.0683 11.6860 11.6860 11.9678 11.9678 12.1198 12.1198 12.1496 12.1496 12.6666 12.6666 12.6903 12.6903 k = 0.3083 0.7101 0.5626 ( 8690 PWs) bands (ev): -44.8144 -44.8144 -44.7410 -44.7410 -21.5971 -21.5971 -21.4997 -21.4997 -20.9898 -20.9898 -20.9439 -20.9439 -20.8321 -20.8321 -20.7008 -20.7008 -0.0117 -0.0117 0.1437 0.1437 6.0131 6.0131 6.1426 6.1426 7.1455 7.1455 8.2187 8.2187 8.4652 8.4652 8.7098 8.7098 9.8920 9.8920 10.5221 10.5221 11.0387 11.0387 11.7376 11.7376 12.0292 12.0292 12.1256 12.1256 12.1717 12.1717 12.6328 12.6328 12.6703 12.6703 k = 0.3024 0.7266 0.5801 ( 8692 PWs) bands (ev): -44.8107 -44.8107 -44.7447 -44.7447 -21.5911 -21.5911 -21.5031 -21.5031 -20.9831 -20.9831 -20.9436 -20.9436 -20.8328 -20.8328 -20.7115 -20.7115 0.0095 0.0095 0.1694 0.1694 5.9463 5.9463 6.1157 6.1157 7.1803 7.1803 8.2121 8.2121 8.4413 8.4413 8.6764 8.6764 9.9005 9.9005 10.5396 10.5396 11.0100 11.0100 11.7876 11.7876 12.0823 12.0823 12.1283 12.1283 12.1954 12.1954 12.6073 12.6073 12.6517 12.6517 k = 0.2964 0.7431 0.5977 ( 8698 PWs) bands (ev): -44.8071 -44.8071 -44.7483 -44.7483 -21.5851 -21.5851 -21.5067 -21.5067 -20.9768 -20.9768 -20.9432 -20.9432 -20.8327 -20.8327 -20.7222 -20.7222 0.0283 0.0283 0.1935 0.1935 5.8846 5.8846 6.0932 6.0932 7.2126 7.2126 8.2070 8.2070 8.4176 8.4176 8.6455 8.6455 9.9061 9.9061 10.5608 10.5608 10.9822 10.9822 11.8351 11.8351 12.0931 12.0931 12.1606 12.1606 12.2206 12.2206 12.5930 12.5930 12.6340 12.6340 k = 0.2904 0.7597 0.6153 ( 8702 PWs) bands (ev): -44.8033 -44.8033 -44.7520 -44.7520 -21.5792 -21.5792 -21.5105 -21.5105 -20.9712 -20.9712 -20.9428 -20.9428 -20.8316 -20.8316 -20.7327 -20.7327 0.0446 0.0446 0.2160 0.2160 5.8287 5.8287 6.0752 6.0752 7.2419 7.2419 8.2036 8.2036 8.3943 8.3943 8.6172 8.6172 9.9097 9.9097 10.5845 10.5845 10.9552 10.9552 11.8785 11.8785 12.0713 12.0713 12.2126 12.2126 12.2477 12.2477 12.5904 12.5904 12.6174 12.6174 k = 0.2844 0.7762 0.6329 ( 8698 PWs) bands (ev): -44.7996 -44.7996 -44.7557 -44.7557 -21.5733 -21.5733 -21.5145 -21.5145 -20.9664 -20.9664 -20.9423 -20.9423 -20.8297 -20.8297 -20.7431 -20.7431 0.0582 0.0582 0.2367 0.2367 5.7788 5.7788 6.0619 6.0619 7.2677 7.2677 8.2019 8.2019 8.3714 8.3714 8.5915 8.5915 9.9120 9.9120 10.6099 10.6099 10.9291 10.9291 11.9161 11.9161 12.0376 12.0376 12.2640 12.2640 12.2783 12.2783 12.5979 12.5979 12.6029 12.6029 k = 0.2784 0.7927 0.6505 ( 8690 PWs) bands (ev): -44.7958 -44.7958 -44.7595 -44.7595 -21.5676 -21.5676 -21.5187 -21.5187 -20.9623 -20.9623 -20.9417 -20.9417 -20.8267 -20.8267 -20.7533 -20.7533 0.0687 0.0687 0.2554 0.2554 5.7352 5.7352 6.0534 6.0534 7.2894 7.2894 8.2019 8.2019 8.3492 8.3492 8.5684 8.5684 9.9138 9.9138 10.6358 10.6358 10.9038 10.9038 11.9461 11.9461 11.9962 11.9962 12.3089 12.3089 12.3170 12.3170 12.5875 12.5875 12.6168 12.6168 k = 0.2724 0.8093 0.6680 ( 8690 PWs) bands (ev): -44.7920 -44.7920 -44.7633 -44.7633 -21.5619 -21.5619 -21.5230 -21.5230 -20.9591 -20.9591 -20.9412 -20.9412 -20.8227 -20.8227 -20.7632 -20.7632 0.0761 0.0761 0.2721 0.2721 5.6984 5.6984 6.0499 6.0499 7.3069 7.3069 8.2036 8.2036 8.3279 8.3279 8.5480 8.5480 9.9157 9.9157 10.6616 10.6616 10.8793 10.8793 11.9492 11.9492 11.9672 11.9672 12.3494 12.3494 12.3622 12.3622 12.5749 12.5749 12.6415 12.6415 k = 0.2664 0.8258 0.6856 ( 8686 PWs) bands (ev): -44.7882 -44.7882 -44.7671 -44.7671 -21.5563 -21.5563 -21.5276 -21.5276 -20.9568 -20.9568 -20.9407 -20.9407 -20.8178 -20.8178 -20.7726 -20.7726 0.0803 0.0803 0.2867 0.2867 5.6683 5.6683 6.0514 6.0514 7.3197 7.3197 8.2069 8.2069 8.3076 8.3076 8.5302 8.5302 9.9179 9.9179 10.6866 10.6866 10.8557 10.8557 11.8989 11.8989 11.9784 11.9784 12.3937 12.3937 12.4056 12.4056 12.5638 12.5638 12.6719 12.6719 k = 0.2664 0.8258 0.6856 ( 8686 PWs) bands (ev): -44.7882 -44.7882 -44.7671 -44.7671 -21.5563 -21.5563 -21.5276 -21.5276 -20.9568 -20.9568 -20.9407 -20.9407 -20.8178 -20.8178 -20.7726 -20.7726 0.0803 0.0803 0.2867 0.2867 5.6683 5.6683 6.0514 6.0514 7.3197 7.3197 8.2069 8.2069 8.3076 8.3076 8.5302 8.5302 9.9179 9.9179 10.6866 10.6866 10.8557 10.8557 11.8989 11.8989 11.9784 11.9784 12.3937 12.3937 12.4056 12.4056 12.5638 12.5638 12.6719 12.6719 k = 0.2422 0.8217 0.6900 ( 8680 PWs) bands (ev): -44.7872 -44.7872 -44.7681 -44.7681 -21.5550 -21.5550 -21.5287 -21.5287 -20.9563 -20.9563 -20.9406 -20.9406 -20.8165 -20.8165 -20.7748 -20.7748 0.0806 0.0806 0.2902 0.2902 5.6624 5.6624 6.0517 6.0517 7.3235 7.3235 8.2082 8.2082 8.3011 8.3011 8.5260 8.5260 9.9188 9.9188 10.6908 10.6908 10.8533 10.8533 11.8857 11.8857 11.9780 11.9780 12.3874 12.3874 12.4125 12.4125 12.5855 12.5855 12.6804 12.6804 k = 0.2180 0.8176 0.6944 ( 8676 PWs) bands (ev): -44.7863 -44.7863 -44.7690 -44.7690 -21.5537 -21.5537 -21.5299 -21.5299 -20.9559 -20.9559 -20.9405 -20.9405 -20.8151 -20.8151 -20.7771 -20.7771 0.0804 0.0804 0.2938 0.2938 5.6578 5.6578 6.0508 6.0508 7.3297 7.3297 8.2099 8.2099 8.2919 8.2919 8.5214 8.5214 9.9204 9.9204 10.6909 10.6909 10.8581 10.8581 11.8722 11.8722 11.9742 11.9742 12.3465 12.3465 12.4279 12.4279 12.6383 12.6383 12.6888 12.6888 k = 0.1938 0.8134 0.6988 ( 8678 PWs) bands (ev): -44.7853 -44.7853 -44.7700 -44.7700 -21.5523 -21.5523 -21.5311 -21.5311 -20.9556 -20.9556 -20.9404 -20.9404 -20.8137 -20.8137 -20.7792 -20.7792 0.0798 0.0798 0.2975 0.2975 5.6546 5.6546 6.0486 6.0486 7.3381 7.3381 8.2118 8.2118 8.2804 8.2804 8.5166 8.5166 9.9225 9.9225 10.6869 10.6869 10.8696 10.8696 11.8595 11.8595 11.9677 11.9677 12.2966 12.2966 12.4464 12.4464 12.6951 12.6951 12.7024 12.7024 k = 0.1695 0.8093 0.7031 ( 8670 PWs) bands (ev): -44.7844 -44.7844 -44.7709 -44.7709 -21.5510 -21.5510 -21.5322 -21.5322 -20.9552 -20.9552 -20.9403 -20.9403 -20.8122 -20.8122 -20.7813 -20.7813 0.0790 0.0790 0.3011 0.3011 5.6527 5.6527 6.0453 6.0453 7.3483 7.3483 8.2137 8.2137 8.2673 8.2673 8.5118 8.5118 9.9250 9.9250 10.6803 10.6803 10.8862 10.8862 11.8480 11.8480 11.9594 11.9594 12.2454 12.2454 12.4666 12.4666 12.6992 12.6992 12.7697 12.7697 k = 0.1453 0.8052 0.7075 ( 8676 PWs) bands (ev): -44.7834 -44.7834 -44.7719 -44.7719 -21.5497 -21.5497 -21.5334 -21.5334 -20.9550 -20.9550 -20.9402 -20.9402 -20.8108 -20.8108 -20.7833 -20.7833 0.0781 0.0781 0.3044 0.3044 5.6517 5.6517 6.0411 6.0411 7.3596 7.3596 8.2151 8.2151 8.2538 8.2538 8.5072 8.5072 9.9277 9.9277 10.6723 10.6723 10.9059 10.9059 11.8380 11.8380 11.9501 11.9501 12.1962 12.1962 12.4882 12.4882 12.6996 12.6996 12.8380 12.8380 k = 0.1211 0.8011 0.7119 ( 8682 PWs) bands (ev): -44.7824 -44.7824 -44.7728 -44.7728 -21.5485 -21.5485 -21.5345 -21.5345 -20.9547 -20.9547 -20.9401 -20.9401 -20.8094 -20.8094 -20.7852 -20.7852 0.0771 0.0771 0.3074 0.3074 5.6516 5.6516 6.0366 6.0366 7.3713 7.3713 8.2149 8.2149 8.2417 8.2417 8.5029 8.5029 9.9304 9.9304 10.6641 10.6641 10.9268 10.9268 11.8297 11.8297 11.9406 11.9406 12.1507 12.1507 12.5105 12.5105 12.6962 12.6962 12.9051 12.9051 k = 0.0969 0.7970 0.7163 ( 8683 PWs) bands (ev): -44.7815 -44.7815 -44.7738 -44.7738 -21.5473 -21.5473 -21.5357 -21.5357 -20.9545 -20.9545 -20.9401 -20.9401 -20.8080 -20.8080 -20.7869 -20.7869 0.0762 0.0762 0.3100 0.3100 5.6520 5.6520 6.0320 6.0320 7.3827 7.3827 8.2108 8.2108 8.2341 8.2341 8.4991 8.4991 9.9329 9.9329 10.6566 10.6566 10.9470 10.9470 11.8231 11.8231 11.9317 11.9317 12.1107 12.1107 12.5332 12.5332 12.6891 12.6891 12.9687 12.9687 k = 0.0727 0.7928 0.7207 ( 8685 PWs) bands (ev): -44.7805 -44.7805 -44.7748 -44.7748 -21.5461 -21.5461 -21.5367 -21.5367 -20.9544 -20.9544 -20.9400 -20.9400 -20.8068 -20.8068 -20.7885 -20.7885 0.0754 0.0754 0.3121 0.3121 5.6527 5.6527 6.0279 6.0279 7.3928 7.3928 8.2028 8.2028 8.2318 8.2318 8.4960 8.4960 9.9350 9.9350 10.6502 10.6502 10.9649 10.9649 11.8182 11.8182 11.9239 11.9239 12.0776 12.0776 12.5556 12.5556 12.6787 12.6787 13.0259 13.0259 k = 0.0484 0.7887 0.7250 ( 8686 PWs) bands (ev): -44.7796 -44.7796 -44.7757 -44.7757 -21.5451 -21.5451 -21.5377 -21.5377 -20.9543 -20.9543 -20.9400 -20.9400 -20.8057 -20.8057 -20.7897 -20.7897 0.0748 0.0748 0.3136 0.3136 5.6534 5.6534 6.0246 6.0246 7.4007 7.4007 8.1949 8.1949 8.2316 8.2316 8.4936 8.4936 9.9367 9.9367 10.6454 10.6454 10.9790 10.9790 11.8149 11.8149 11.9179 11.9179 12.0527 12.0527 12.5770 12.5770 12.6659 12.6659 13.0725 13.0725 k = 0.0242 0.7846 0.7294 ( 8688 PWs) bands (ev): -44.7786 -44.7786 -44.7767 -44.7767 -21.5444 -21.5444 -21.5384 -21.5384 -20.9542 -20.9542 -20.9400 -20.9400 -20.8050 -20.8050 -20.7906 -20.7906 0.0745 0.0745 0.3145 0.3145 5.6539 5.6539 6.0225 6.0225 7.4058 7.4058 8.1895 8.1895 8.2319 8.2319 8.4922 8.4922 9.9377 9.9377 10.6425 10.6425 10.9880 10.9880 11.8129 11.8129 11.9141 11.9141 12.0372 12.0372 12.5955 12.5955 12.6525 12.6525 13.1034 13.1034 k = 0.0000 0.7805 0.7338 ( 8696 PWs) bands (ev): -44.7778 -44.7778 -44.7774 -44.7774 -21.5441 -21.5441 -21.5387 -21.5387 -20.9542 -20.9542 -20.9399 -20.9399 -20.8047 -20.8047 -20.7909 -20.7909 0.0744 0.0744 0.3148 0.3148 5.6541 5.6541 6.0218 6.0218 7.4076 7.4076 8.1876 8.1876 8.2321 8.2321 8.4917 8.4917 9.9381 9.9381 10.6415 10.6415 10.9911 10.9911 11.8123 11.8123 11.9128 11.9128 12.0319 12.0319 12.6046 12.6046 12.6451 12.6451 13.1142 13.1142 k = 0.0000 0.7805 0.7338 ( 8696 PWs) bands (ev): -44.7778 -44.7778 -44.7774 -44.7774 -21.5441 -21.5441 -21.5387 -21.5387 -20.9542 -20.9542 -20.9399 -20.9399 -20.8047 -20.8047 -20.7909 -20.7909 0.0744 0.0744 0.3148 0.3148 5.6541 5.6541 6.0218 6.0218 7.4076 7.4076 8.1876 8.1876 8.2321 8.2321 8.4917 8.4917 9.9381 9.9381 10.6415 10.6415 10.9911 10.9911 11.8123 11.8123 11.9128 11.9128 12.0319 12.0319 12.6046 12.6046 12.6451 12.6451 13.1142 13.1142 k = 0.0060 0.7641 0.7513 ( 8694 PWs) bands (ev): -44.7778 -44.7778 -44.7774 -44.7774 -21.5454 -21.5454 -21.5378 -21.5378 -20.9578 -20.9578 -20.9365 -20.9365 -20.8095 -20.8095 -20.7856 -20.7856 0.0747 0.0747 0.3147 0.3147 5.6555 5.6555 6.0234 6.0234 7.4070 7.4070 8.1841 8.1841 8.2339 8.2339 8.4904 8.4904 9.9391 9.9391 10.6412 10.6412 10.9902 10.9902 11.8119 11.8119 11.8856 11.8856 12.0556 12.0556 12.6023 12.6023 12.6468 12.6468 13.1164 13.1164 k = 0.0119 0.7476 0.7687 ( 8688 PWs) bands (ev): -44.7778 -44.7778 -44.7774 -44.7774 -21.5481 -21.5481 -21.5362 -21.5362 -20.9646 -20.9646 -20.9302 -20.9302 -20.8173 -20.8173 -20.7762 -20.7762 0.0758 0.0758 0.3144 0.3144 5.6597 5.6597 6.0281 6.0281 7.4051 7.4051 8.1750 8.1750 8.2379 8.2379 8.4868 8.4868 9.9420 9.9420 10.6404 10.6404 10.9875 10.9875 11.8075 11.8075 11.8346 11.8346 12.0985 12.0985 12.5956 12.5956 12.6524 12.6524 13.1229 13.1229 k = 0.0179 0.7312 0.7862 ( 8688 PWs) bands (ev): -44.7778 -44.7778 -44.7774 -44.7774 -21.5515 -21.5515 -21.5347 -21.5347 -20.9720 -20.9720 -20.9238 -20.9238 -20.8247 -20.8247 -20.7659 -20.7659 0.0777 0.0777 0.3138 0.3138 5.6667 5.6667 6.0359 6.0359 7.4019 7.4019 8.1624 8.1624 8.2421 8.2421 8.4808 8.4808 9.9469 9.9469 10.6390 10.6390 10.9828 10.9828 11.7630 11.7630 11.8162 11.8162 12.1395 12.1395 12.5852 12.5852 12.6632 12.6632 13.1335 13.1335 k = 0.0238 0.7148 0.8037 ( 8688 PWs) bands (ev): -44.7778 -44.7778 -44.7774 -44.7774 -21.5554 -21.5554 -21.5336 -21.5336 -20.9796 -20.9796 -20.9182 -20.9182 -20.8309 -20.8309 -20.7552 -20.7552 0.0802 0.0802 0.3130 0.3130 5.6764 5.6764 6.0469 6.0469 7.3975 7.3975 8.1475 8.1475 8.2454 8.2454 8.4726 8.4726 9.9537 9.9537 10.6368 10.6368 10.9759 10.9759 11.6990 11.6990 11.8147 11.8147 12.1722 12.1722 12.5716 12.5716 12.6807 12.6807 13.1477 13.1477 k = 0.0298 0.6984 0.8212 ( 8682 PWs) bands (ev): -44.7778 -44.7778 -44.7774 -44.7774 -21.5596 -21.5596 -21.5327 -21.5327 -20.9870 -20.9870 -20.9140 -20.9140 -20.8353 -20.8353 -20.7443 -20.7443 0.0835 0.0835 0.3120 0.3120 5.6888 5.6888 6.0608 6.0608 7.3919 7.3919 8.1308 8.1308 8.2472 8.2472 8.4625 8.4625 9.9622 9.9622 10.6339 10.6339 10.9667 10.9667 11.6333 11.6333 11.8143 11.8143 12.1937 12.1937 12.5561 12.5561 12.7063 12.7063 13.1651 13.1651 k = 0.0357 0.6819 0.8386 ( 8674 PWs) bands (ev): -44.7777 -44.7777 -44.7774 -44.7774 -21.5642 -21.5642 -21.5322 -21.5322 -20.9943 -20.9943 -20.9121 -20.9121 -20.8371 -20.8371 -20.7332 -20.7332 0.0874 0.0874 0.3108 0.3108 5.7040 5.7040 6.0778 6.0778 7.3850 7.3850 8.1128 8.1128 8.2473 8.2473 8.4506 8.4506 9.9725 9.9725 10.6301 10.6301 10.9548 10.9548 11.5678 11.5678 11.8139 11.8139 12.2033 12.2033 12.5398 12.5398 12.7401 12.7401 13.1851 13.1852 k = 0.0417 0.6655 0.8561 ( 8672 PWs) bands (ev): -44.7777 -44.7777 -44.7773 -44.7773 -21.5692 -21.5692 -21.5321 -21.5321 -21.0014 -21.0014 -20.9126 -20.9126 -20.8361 -20.8361 -20.7220 -20.7220 0.0920 0.0920 0.3094 0.3094 5.7217 5.7217 6.0977 6.0977 7.3770 7.3770 8.0937 8.0937 8.2455 8.2455 8.4372 8.4372 9.9842 9.9842 10.6253 10.6253 10.9401 10.9401 11.5033 11.5033 11.8132 11.8132 12.2017 12.2017 12.5241 12.5241 12.7808 12.7808 13.2073 13.2073 k = 0.0476 0.6491 0.8736 ( 8668 PWs) bands (ev): -44.7777 -44.7777 -44.7773 -44.7773 -21.5744 -21.5744 -21.5323 -21.5323 -21.0082 -21.0082 -20.9153 -20.9153 -20.8324 -20.8324 -20.7107 -20.7107 0.0973 0.0973 0.3078 0.3078 5.7419 5.7419 6.1204 6.1204 7.3678 7.3678 8.0738 8.0738 8.2418 8.2418 8.4225 8.4225 9.9974 9.9974 10.6195 10.6195 10.9223 10.9223 11.4403 11.4403 11.8114 11.8114 12.1909 12.1909 12.5104 12.5104 12.8264 12.8264 13.2313 13.2314 k = 0.0536 0.6327 0.8910 ( 8676 PWs) bands (ev): -44.7776 -44.7776 -44.7773 -44.7773 -21.5799 -21.5799 -21.5329 -21.5329 -21.0148 -21.0148 -20.9198 -20.9198 -20.8268 -20.8268 -20.6995 -20.6995 0.1032 0.1032 0.3060 0.3060 5.7645 5.7645 6.1458 6.1458 7.3575 7.3575 8.0531 8.0531 8.2361 8.2361 8.4068 8.4068 10.0117 10.0117 10.6125 10.6125 10.9015 10.9015 11.3795 11.3795 11.8081 11.8081 12.1726 12.1726 12.5003 12.5003 12.8748 12.8748 13.2571 13.2571 k = 0.0595 0.6162 0.9085 ( 8682 PWs) bands (ev): -44.7776 -44.7776 -44.7772 -44.7772 -21.5857 -21.5857 -21.5338 -21.5338 -21.0210 -21.0210 -20.9254 -20.9254 -20.8197 -20.8197 -20.6883 -20.6883 0.1097 0.1097 0.3040 0.3040 5.7895 5.7895 6.1738 6.1738 7.3462 7.3462 8.0318 8.0318 8.2286 8.2286 8.3904 8.3904 10.0269 10.0269 10.6043 10.6043 10.8776 10.8776 11.3213 11.3213 11.8023 11.8023 12.1486 12.1486 12.4953 12.4953 12.9241 12.9241 13.2846 13.2846 k = 0.0655 0.5998 0.9260 ( 8678 PWs) bands (ev): -44.7775 -44.7775 -44.7772 -44.7772 -21.5918 -21.5918 -21.5349 -21.5349 -21.0270 -21.0270 -20.9317 -20.9317 -20.8117 -20.8117 -20.6771 -20.6771 0.1167 0.1167 0.3019 0.3019 5.8167 5.8167 6.2043 6.2043 7.3339 7.3339 8.0102 8.0102 8.2193 8.2193 8.3734 8.3734 10.0428 10.0428 10.5948 10.5948 10.8507 10.8507 11.2661 11.2661 11.7933 11.7933 12.1204 12.1204 12.4966 12.4966 12.9729 12.9729 13.3140 13.3140 k = 0.0714 0.5834 0.9435 ( 8682 PWs) bands (ev): -44.7775 -44.7775 -44.7771 -44.7771 -21.5980 -21.5980 -21.5364 -21.5364 -21.0327 -21.0327 -20.9382 -20.9382 -20.8030 -20.8030 -20.6660 -20.6660 0.1242 0.1242 0.2996 0.2996 5.8460 5.8460 6.2371 6.2371 7.3209 7.3209 7.9884 7.9884 8.2082 8.2082 8.3560 8.3560 10.0590 10.0590 10.5842 10.5842 10.8209 10.8209 11.2144 11.2144 11.7805 11.7805 12.0891 12.0891 12.5051 12.5051 13.0203 13.0203 13.3449 13.3449 k = 0.0774 0.5670 0.9609 ( 8686 PWs) bands (ev): -44.7774 -44.7774 -44.7771 -44.7771 -21.6044 -21.6044 -21.5382 -21.5382 -21.0381 -21.0381 -20.9449 -20.9449 -20.7941 -20.7941 -20.6551 -20.6551 0.1323 0.1323 0.2971 0.2971 5.8773 5.8773 6.2720 6.2720 7.3072 7.3072 7.9664 7.9664 8.1957 8.1957 8.3383 8.3383 10.0751 10.0751 10.5724 10.5724 10.7887 10.7887 11.1666 11.1666 11.7638 11.7638 12.0554 12.0554 12.5213 12.5213 13.0660 13.0660 13.3768 13.3768 k = 0.0833 0.5505 0.9784 ( 8692 PWs) bands (ev): -44.7773 -44.7773 -44.7770 -44.7770 -21.6109 -21.6109 -21.5402 -21.5402 -21.0433 -21.0433 -20.9515 -20.9515 -20.7849 -20.7849 -20.6443 -20.6443 0.1407 0.1407 0.2945 0.2945 5.9104 5.9104 6.3088 6.3088 7.2931 7.2931 7.9445 7.9445 8.1817 8.1817 8.3204 8.3204 10.0907 10.0907 10.5595 10.5595 10.7542 10.7542 11.1233 11.1233 11.7433 11.7433 12.0202 12.0202 12.5452 12.5452 13.1101 13.1101 13.4090 13.4090 k = 0.0893 0.5341 0.9959 ( 8686 PWs) bands (ev): -44.7773 -44.7773 -44.7770 -44.7770 -21.6176 -21.6176 -21.5425 -21.5425 -21.0481 -21.0481 -20.9580 -20.9580 -20.7756 -20.7756 -20.6336 -20.6336 0.1496 0.1496 0.2918 0.2918 5.9451 5.9451 6.3472 6.3472 7.2788 7.2788 7.9228 7.9228 8.1666 8.1666 8.3023 8.3023 10.1054 10.1054 10.5454 10.5454 10.7177 10.7177 11.0849 11.0849 11.7193 11.7193 11.9840 11.9840 12.5763 12.5763 13.1529 13.1529 13.4409 13.4409 k = 0.0952 0.5177 1.0133 ( 8684 PWs) bands (ev): -44.7772 -44.7772 -44.7769 -44.7769 -21.6243 -21.6243 -21.5449 -21.5449 -21.0527 -21.0527 -20.9644 -20.9644 -20.7663 -20.7663 -20.6231 -20.6231 0.1588 0.1588 0.2889 0.2889 5.9813 5.9813 6.3869 6.3869 7.2645 7.2645 7.9014 7.9014 8.1504 8.1504 8.2841 8.2841 10.1188 10.1188 10.5304 10.5304 10.6796 10.6796 11.0519 11.0519 11.6925 11.6925 11.9471 11.9471 12.6140 12.6140 13.1947 13.1947 13.4721 13.4721 k = 0.1012 0.5012 1.0308 ( 8684 PWs) bands (ev): -44.7771 -44.7771 -44.7769 -44.7769 -21.6311 -21.6311 -21.5476 -21.5476 -21.0570 -21.0570 -20.9705 -20.9705 -20.7571 -20.7571 -20.6129 -20.6129 0.1683 0.1683 0.2860 0.2860 6.0188 6.0188 6.4276 6.4276 7.2506 7.2506 7.8803 7.8803 8.1334 8.1334 8.2657 8.2657 10.1303 10.1303 10.5143 10.5143 10.6402 10.6402 11.0246 11.0246 11.6637 11.6637 11.9101 11.9101 12.6574 12.6574 13.2361 13.2361 13.5023 13.5023 k = 0.1071 0.4848 1.0483 ( 8686 PWs) bands (ev): -44.7771 -44.7771 -44.7768 -44.7768 -21.6380 -21.6380 -21.5504 -21.5504 -21.0610 -21.0610 -20.9764 -20.9764 -20.7479 -20.7479 -20.6028 -20.6028 0.1781 0.1781 0.2830 0.2830 6.0574 6.0574 6.4689 6.4689 7.2375 7.2375 7.8599 7.8599 8.1156 8.1156 8.2472 8.2472 10.1398 10.1398 10.4974 10.4974 10.5999 10.5999 11.0034 11.0034 11.6335 11.6335 11.8731 11.8731 12.7058 12.7058 13.2773 13.2773 13.5312 13.5312 k = 0.1131 0.4684 1.0658 ( 8678 PWs) bands (ev): -44.7770 -44.7770 -44.7768 -44.7768 -21.6448 -21.6448 -21.5534 -21.5534 -21.0647 -21.0647 -20.9821 -20.9821 -20.7389 -20.7389 -20.5930 -20.5930 0.1880 0.1880 0.2800 0.2800 6.0969 6.0969 6.5102 6.5102 7.2256 7.2256 7.8400 7.8400 8.0973 8.0973 8.2286 8.2286 10.1468 10.1468 10.4797 10.4797 10.5589 10.5589 10.9884 10.9884 11.6025 11.6025 11.8364 11.8364 12.7583 12.7583 13.3187 13.3187 13.5587 13.5587 k = 0.1190 0.4520 1.0832 ( 8686 PWs) bands (ev): -44.7769 -44.7769 -44.7767 -44.7767 -21.6515 -21.6515 -21.5564 -21.5564 -21.0683 -21.0683 -20.9874 -20.9874 -20.7301 -20.7301 -20.5835 -20.5835 0.1981 0.1981 0.2769 0.2769 6.1371 6.1371 6.5510 6.5510 7.2155 7.2155 7.8209 7.8209 8.0785 8.0785 8.2099 8.2099 10.1514 10.1514 10.4613 10.4613 10.5176 10.5176 10.9796 10.9796 11.5713 11.5713 11.8004 11.8004 12.8141 12.8141 13.3603 13.3603 13.5845 13.5845 k = 0.1250 0.4355 1.1007 ( 8686 PWs) bands (ev): -44.7768 -44.7768 -44.7766 -44.7766 -21.6582 -21.6582 -21.5596 -21.5596 -21.0716 -21.0716 -20.9925 -20.9925 -20.7214 -20.7214 -20.5743 -20.5743 0.2083 0.2083 0.2737 0.2737 6.1778 6.1778 6.5904 6.5904 7.2079 7.2079 7.8026 7.8026 8.0593 8.0593 8.1911 8.1911 10.1536 10.1536 10.4423 10.4423 10.4762 10.4762 10.9767 10.9767 11.5405 11.5405 11.7652 11.7652 12.8724 12.8724 13.4021 13.4021 13.6087 13.6087 k = 0.1310 0.4191 1.1182 ( 8688 PWs) bands (ev): -44.7768 -44.7768 -44.7766 -44.7766 -21.6648 -21.6648 -21.5628 -21.5628 -21.0746 -21.0746 -20.9973 -20.9973 -20.7131 -20.7131 -20.5654 -20.5654 0.2185 0.2185 0.2706 0.2706 6.2186 6.2186 6.6278 6.6278 7.2034 7.2034 7.7852 7.7852 8.0399 8.0399 8.1723 8.1723 10.1536 10.1536 10.4227 10.4227 10.4351 10.4351 10.9794 10.9794 11.5102 11.5102 11.7310 11.7310 12.9326 12.9326 13.4437 13.4437 13.6315 13.6315 k = 0.1369 0.4027 1.1356 ( 8682 PWs) bands (ev): -44.7767 -44.7767 -44.7765 -44.7765 -21.6713 -21.6713 -21.5660 -21.5660 -21.0774 -21.0774 -21.0019 -21.0019 -20.7049 -20.7049 -20.5568 -20.5568 0.2287 0.2287 0.2675 0.2675 6.2595 6.2595 6.6622 6.6622 7.2029 7.2029 7.7688 7.7688 8.0202 8.0202 8.1535 8.1535 10.1518 10.1518 10.3939 10.3939 10.4033 10.4033 10.9869 10.9869 11.4810 11.4810 11.6979 11.6979 12.9940 12.9940 13.4848 13.4848 13.6532 13.6532 k = 0.1429 0.3863 1.1531 ( 8682 PWs) bands (ev): -44.7766 -44.7766 -44.7765 -44.7765 -21.6776 -21.6776 -21.5693 -21.5693 -21.0801 -21.0801 -21.0061 -21.0061 -20.6971 -20.6971 -20.5485 -20.5485 0.2387 0.2387 0.2644 0.2644 6.3001 6.3001 6.6927 6.6927 7.2073 7.2073 7.7534 7.7534 8.0003 8.0003 8.1347 8.1347 10.1487 10.1487 10.3540 10.3540 10.3832 10.3832 10.9987 10.9987 11.4529 11.4529 11.6661 11.6661 13.0558 13.0558 13.5244 13.5244 13.6747 13.6747 k = 0.1488 0.3698 1.1706 ( 8684 PWs) bands (ev): -44.7766 -44.7766 -44.7764 -44.7764 -21.6837 -21.6837 -21.5725 -21.5725 -21.0825 -21.0825 -21.0101 -21.0101 -20.6896 -20.6896 -20.5406 -20.5406 0.2487 0.2487 0.2613 0.2613 6.3403 6.3403 6.7184 6.7184 7.2170 7.2170 7.7391 7.7391 7.9804 7.9804 8.1160 8.1160 10.1449 10.1449 10.3149 10.3149 10.3631 10.3631 11.0138 11.0138 11.4263 11.4263 11.6358 11.6358 13.1172 13.1172 13.5607 13.5607 13.6977 13.6977 k = 0.1548 0.3534 1.1881 ( 8688 PWs) bands (ev): -44.7765 -44.7765 -44.7763 -44.7763 -21.6896 -21.6896 -21.5757 -21.5757 -21.0847 -21.0847 -21.0138 -21.0138 -20.6824 -20.6824 -20.5331 -20.5331 0.2576 0.2576 0.2592 0.2592 6.3797 6.3797 6.7390 6.7390 7.2326 7.2326 7.7260 7.7260 7.9604 7.9604 8.0974 8.0974 10.1406 10.1406 10.2768 10.2768 10.3430 10.3430 11.0314 11.0314 11.4012 11.4012 11.6071 11.6071 13.1777 13.1777 13.5916 13.5916 13.7242 13.7242 k = 0.1607 0.3370 1.2055 ( 8688 PWs) bands (ev): -44.7764 -44.7764 -44.7763 -44.7763 -21.6953 -21.6953 -21.5789 -21.5789 -21.0868 -21.0868 -21.0173 -21.0173 -20.6756 -20.6756 -20.5260 -20.5260 0.2553 0.2553 0.2680 0.2680 6.4181 6.4181 6.7543 6.7543 7.2538 7.2538 7.7142 7.7142 7.9405 7.9405 8.0789 8.0789 10.1364 10.1364 10.2401 10.2401 10.3232 10.3232 11.0509 11.0509 11.3777 11.3777 11.5802 11.5802 13.2362 13.2362 13.6151 13.6151 13.7564 13.7564 k = 0.1667 0.3206 1.2230 ( 8686 PWs) bands (ev): -44.7764 -44.7764 -44.7762 -44.7762 -21.7008 -21.7008 -21.5819 -21.5819 -21.0887 -21.0887 -21.0205 -21.0205 -20.6691 -20.6691 -20.5192 -20.5192 0.2525 0.2525 0.2771 0.2771 6.4553 6.4553 6.7647 6.7647 7.2801 7.2801 7.7036 7.7036 7.9207 7.9207 8.0606 8.0606 10.1325 10.1325 10.2050 10.2050 10.3037 10.3037 11.0712 11.0712 11.3559 11.3559 11.5551 11.5551 13.2921 13.2921 13.6311 13.6311 13.7943 13.7943 k = 0.1726 0.3041 1.2405 ( 8692 PWs) bands (ev): -44.7763 -44.7763 -44.7762 -44.7762 -21.7059 -21.7059 -21.5848 -21.5848 -21.0904 -21.0904 -21.0234 -21.0234 -20.6630 -20.6630 -20.5129 -20.5129 0.2498 0.2498 0.2859 0.2859 6.4910 6.4910 6.7710 6.7710 7.3105 7.3105 7.6943 7.6943 7.9011 7.9011 8.0425 8.0425 10.1288 10.1288 10.1720 10.1720 10.2847 10.2847 11.0919 11.0919 11.3358 11.3358 11.5319 11.5319 13.3444 13.3444 13.6410 13.6410 13.8366 13.8366 k = 0.1786 0.2877 1.2579 ( 8698 PWs) bands (ev): -44.7763 -44.7763 -44.7761 -44.7761 -21.7107 -21.7107 -21.5877 -21.5877 -21.0920 -21.0920 -21.0261 -21.0261 -20.6573 -20.6573 -20.5070 -20.5070 0.2472 0.2472 0.2943 0.2943 6.5250 6.5250 6.7740 6.7740 7.3439 7.3439 7.6863 7.6863 7.8819 7.8819 8.0246 8.0246 10.1234 10.1234 10.1433 10.1433 10.2664 10.2664 11.1121 11.1121 11.3174 11.3174 11.5109 11.5109 13.3925 13.3925 13.6464 13.6464 13.8770 13.8784 k = 0.1845 0.2713 1.2754 ( 8698 PWs) bands (ev): -44.7762 -44.7762 -44.7761 -44.7761 -21.7153 -21.7153 -21.5903 -21.5903 -21.0934 -21.0934 -21.0285 -21.0285 -20.6520 -20.6520 -20.5015 -20.5015 0.2448 0.2448 0.3022 0.3022 6.5571 6.5571 6.7746 6.7746 7.3791 7.3791 7.6798 7.6798 7.8630 7.8630 8.0070 8.0070 10.1047 10.1047 10.1308 10.1308 10.2489 10.2489 11.1313 11.1313 11.3007 11.3007 11.4921 11.4921 13.4357 13.4357 13.6486 13.6486 13.9041 13.9041 k = 0.1905 0.2549 1.2929 ( 8690 PWs) bands (ev): -44.7762 -44.7762 -44.7760 -44.7760 -21.7195 -21.7195 -21.5928 -21.5928 -21.0947 -21.0947 -21.0307 -21.0307 -20.6472 -20.6472 -20.4965 -20.4965 0.2425 0.2425 0.3096 0.3096 6.5869 6.5869 6.7736 6.7736 7.4152 7.4152 7.6747 7.6747 7.8446 7.8446 7.9896 7.9896 10.0785 10.0785 10.1288 10.1288 10.2323 10.2323 11.1490 11.1490 11.2857 11.2857 11.4756 11.4756 13.4739 13.4739 13.6487 13.6487 13.9337 13.9337 k = 0.1964 0.2384 1.3104 ( 8680 PWs) bands (ev): -44.7761 -44.7761 -44.7760 -44.7760 -21.7233 -21.7233 -21.5951 -21.5951 -21.0958 -21.0958 -21.0327 -21.0327 -20.6427 -20.6427 -20.4919 -20.4919 0.2404 0.2404 0.3164 0.3164 6.6144 6.6144 6.7716 6.7716 7.4512 7.4512 7.6712 7.6712 7.8268 7.8268 7.9726 7.9726 10.0532 10.0532 10.1289 10.1289 10.2168 10.2168 11.1648 11.1648 11.2723 11.2723 11.4615 11.4615 13.5068 13.5068 13.6474 13.6474 13.9653 13.9653 k = 0.2024 0.2220 1.3278 ( 8682 PWs) bands (ev): -44.7761 -44.7761 -44.7760 -44.7760 -21.7268 -21.7268 -21.5972 -21.5972 -21.0968 -21.0968 -21.0345 -21.0345 -20.6387 -20.6387 -20.4878 -20.4878 0.2385 0.2385 0.3227 0.3227 6.6393 6.6393 6.7692 6.7692 7.4862 7.4862 7.6692 7.6692 7.8097 7.8097 7.9559 7.9559 10.0300 10.0300 10.1301 10.1301 10.2025 10.2025 11.1783 11.1783 11.2606 11.2606 11.4498 11.4498 13.5349 13.5349 13.6451 13.6451 13.9978 13.9978 k = 0.2083 0.2056 1.3453 ( 8688 PWs) bands (ev): -44.7760 -44.7760 -44.7759 -44.7759 -21.7299 -21.7299 -21.5991 -21.5991 -21.0977 -21.0977 -21.0360 -21.0360 -20.6352 -20.6352 -20.4841 -20.4841 0.2367 0.2367 0.3282 0.3282 6.6612 6.6612 6.7668 6.7668 7.5195 7.5195 7.6690 7.6690 7.7935 7.7935 7.9395 7.9395 10.0091 10.0091 10.1319 10.1319 10.1896 10.1896 11.1895 11.1895 11.2504 11.2504 11.4404 11.4404 13.5585 13.5585 13.6424 13.6424 14.0298 14.0298 k = 0.2143 0.1891 1.3628 ( 8698 PWs) bands (ev): -44.7760 -44.7760 -44.7759 -44.7759 -21.7326 -21.7326 -21.6008 -21.6008 -21.0984 -21.0984 -21.0373 -21.0373 -20.6321 -20.6321 -20.4809 -20.4809 0.2352 0.2352 0.3332 0.3332 6.6800 6.6800 6.7648 6.7648 7.5502 7.5502 7.6706 7.6706 7.7783 7.7783 7.9236 7.9236 9.9907 9.9907 10.1342 10.1342 10.1782 10.1782 11.1983 11.1983 11.2418 11.2418 11.4331 11.4331 13.5780 13.5780 13.6395 13.6395 14.0597 14.0597 k = 0.2202 0.1727 1.3802 ( 8702 PWs) bands (ev): -44.7760 -44.7760 -44.7759 -44.7759 -21.7349 -21.7349 -21.6022 -21.6022 -21.0990 -21.0990 -21.0384 -21.0384 -20.6295 -20.6295 -20.4782 -20.4782 0.2339 0.2339 0.3374 0.3374 6.6953 6.6953 6.7637 6.7637 7.5773 7.5773 7.6743 7.6743 7.7642 7.7642 7.9083 7.9083 9.9749 9.9749 10.1365 10.1365 10.1684 10.1684 11.2048 11.2048 11.2348 11.2348 11.4279 11.4279 13.5938 13.5938 13.6369 13.6369 14.0863 14.0863 k = 0.2262 0.1563 1.3977 ( 8702 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7368 -21.7368 -21.6034 -21.6034 -21.0995 -21.0995 -21.0393 -21.0393 -20.6273 -20.6273 -20.4760 -20.4760 0.2329 0.2329 0.3409 0.3409 6.7070 6.7070 6.7636 6.7636 7.5999 7.5999 7.6803 7.6803 7.7517 7.7517 7.8939 7.8939 9.9619 9.9619 10.1387 10.1387 10.1604 10.1604 11.2092 11.2092 11.2294 11.2294 11.4242 11.4242 13.6062 13.6062 13.6346 13.6346 14.1083 14.1083 k = 0.2321 0.1399 1.4152 ( 8706 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7383 -21.7383 -21.6043 -21.6043 -21.0999 -21.0999 -21.0400 -21.0400 -20.6257 -20.6257 -20.4743 -20.4743 0.2320 0.2320 0.3436 0.3436 6.7149 6.7149 6.7647 6.7647 7.6173 7.6173 7.6882 7.6882 7.7411 7.7411 7.8808 7.8808 9.9517 9.9517 10.1405 10.1405 10.1542 10.1542 11.2117 11.2117 11.2257 11.2257 11.4218 11.4218 13.6153 13.6153 13.6331 13.6331 14.1251 14.1251 k = 0.2381 0.1234 1.4327 ( 8702 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7393 -21.7393 -21.6050 -21.6050 -21.1002 -21.1002 -21.0405 -21.0405 -20.6245 -20.6245 -20.4731 -20.4731 0.2314 0.2314 0.3456 0.3456 6.7197 6.7197 6.7663 6.7663 7.6293 7.6293 7.6963 7.6963 7.7330 7.7330 7.8699 7.8699 9.9443 9.9443 10.1414 10.1414 10.1503 10.1503 11.2126 11.2126 11.2237 11.2237 11.4203 11.4203 13.6210 13.6210 13.6326 13.6326 14.1367 14.1367 k = 0.2440 0.1070 1.4501 ( 8696 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7400 -21.7400 -21.6054 -21.6054 -21.1004 -21.1004 -21.0408 -21.0408 -20.6237 -20.6237 -20.4723 -20.4723 0.2310 0.2310 0.3467 0.3467 6.7221 6.7221 6.7677 6.7677 7.6363 7.6363 7.7022 7.7022 7.7284 7.7284 7.8625 7.8625 9.9399 9.9399 10.1414 10.1414 10.1486 10.1486 11.2125 11.2125 11.2230 11.2230 11.4196 11.4196 13.6235 13.6235 13.6331 13.6331 14.1434 14.1434 k = 0.2500 0.0906 1.4676 ( 8692 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2309 0.2309 0.3471 0.3471 6.7229 6.7229 6.7683 6.7683 7.6387 7.6387 7.7041 7.7041 7.7270 7.7270 7.8598 7.8598 9.9384 9.9384 10.1411 10.1411 10.1482 10.1482 11.2124 11.2124 11.2228 11.2228 11.4193 11.4193 13.6241 13.6241 13.6336 13.6336 14.1456 14.1456 k = 0.2500 0.0906 1.4676 ( 8692 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2309 0.2309 0.3471 0.3471 6.7229 6.7229 6.7683 6.7683 7.6387 7.6387 7.7041 7.7041 7.7270 7.7270 7.8598 7.8598 9.9384 9.9384 10.1411 10.1411 10.1482 10.1482 11.2124 11.2124 11.2228 11.2228 11.4193 11.4193 13.6241 13.6241 13.6336 13.6336 14.1456 14.1456 k = 0.2708 0.0981 1.4596 ( 8696 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2309 0.2309 0.3471 0.3471 6.7208 6.7208 6.7704 6.7704 7.6377 7.6377 7.7043 7.7043 7.7269 7.7269 7.8605 7.8605 9.9385 9.9385 10.1318 10.1318 10.1580 10.1580 11.2052 11.2052 11.2298 11.2298 11.4195 11.4195 13.6214 13.6214 13.6362 13.6362 14.1453 14.1453 k = 0.2917 0.1057 1.4515 ( 8690 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7401 -21.7401 -21.6054 -21.6054 -21.1004 -21.1004 -21.0409 -21.0409 -20.6236 -20.6236 -20.4722 -20.4722 0.2310 0.2310 0.3470 0.3470 6.7161 6.7161 6.7751 6.7751 7.6346 7.6346 7.7053 7.7053 7.7267 7.7267 7.8625 7.8625 9.9386 9.9386 10.1188 10.1188 10.1721 10.1721 11.1976 11.1976 11.2368 11.2368 11.4202 11.4202 13.6168 13.6168 13.6406 13.6406 14.1442 14.1442 k = 0.3125 0.1132 1.4435 ( 8694 PWs) bands (ev): -44.7760 -44.7760 -44.7757 -44.7757 -21.7400 -21.7400 -21.6054 -21.6054 -21.1004 -21.1004 -21.0408 -21.0408 -20.6237 -20.6237 -20.4723 -20.4723 0.2310 0.2310 0.3468 0.3468 6.7096 6.7096 6.7814 6.7814 7.6301 7.6301 7.7063 7.7063 7.7263 7.7263 7.8658 7.8658 9.9387 9.9387 10.1064 10.1064 10.1864 10.1864 11.1898 11.1898 11.2439 11.2439 11.4211 11.4211 13.6116 13.6116 13.6454 13.6454 14.1426 14.1426 k = 0.3333 0.1208 1.4355 ( 8706 PWs) bands (ev): -44.7760 -44.7760 -44.7757 -44.7757 -21.7398 -21.7398 -21.6053 -21.6053 -21.1003 -21.1003 -21.0408 -21.0408 -20.6239 -20.6239 -20.4725 -20.4725 0.2310 0.2310 0.3466 0.3466 6.7020 6.7020 6.7886 6.7886 7.6248 7.6248 7.7065 7.7065 7.7266 7.7266 7.8701 7.8701 9.9389 9.9389 10.0950 10.0950 10.2005 10.2005 11.1820 11.1820 11.2509 11.2509 11.4221 11.4221 13.6063 13.6063 13.6503 13.6503 14.1405 14.1405 k = 0.3542 0.1283 1.4274 ( 8707 PWs) bands (ev): -44.7761 -44.7761 -44.7756 -44.7756 -21.7396 -21.7396 -21.6051 -21.6051 -21.1003 -21.1003 -21.0407 -21.0407 -20.6241 -20.6241 -20.4728 -20.4728 0.2310 0.2310 0.3464 0.3464 6.6938 6.6938 6.7961 6.7961 7.6193 7.6193 7.7045 7.7045 7.7287 7.7287 7.8750 7.8750 9.9392 9.9392 10.0846 10.0846 10.2142 10.2142 11.1742 11.1742 11.2579 11.2579 11.4230 11.4230 13.6011 13.6011 13.6552 13.6552 14.1382 14.1382 k = 0.3750 0.1359 1.4194 ( 8709 PWs) bands (ev): -44.7762 -44.7762 -44.7755 -44.7755 -21.7394 -21.7394 -21.6050 -21.6050 -21.1002 -21.1002 -21.0405 -21.0405 -20.6244 -20.6244 -20.4731 -20.4731 0.2310 0.2310 0.3461 0.3461 6.6852 6.6852 6.8035 6.8035 7.6139 7.6139 7.7006 7.7006 7.7325 7.7325 7.8803 7.8803 9.9399 9.9399 10.0755 10.0755 10.2273 10.2273 11.1667 11.1667 11.2647 11.2647 11.4235 11.4235 13.5962 13.5962 13.6599 13.6599 14.1358 14.1358 k = 0.3958 0.1434 1.4114 ( 8706 PWs) bands (ev): -44.7763 -44.7763 -44.7754 -44.7754 -21.7391 -21.7391 -21.6048 -21.6048 -21.1001 -21.1001 -21.0404 -21.0404 -20.6247 -20.6247 -20.4734 -20.4734 0.2310 0.2310 0.3458 0.3458 6.6765 6.6765 6.8106 6.8106 7.6090 7.6090 7.6954 7.6954 7.7373 7.7373 7.8856 7.8856 9.9409 9.9409 10.0677 10.0677 10.2396 10.2396 11.1595 11.1595 11.2713 11.2713 11.4235 11.4235 13.5917 13.5917 13.6643 13.6643 14.1337 14.1337 k = 0.4167 0.1510 1.4034 ( 8717 PWs) bands (ev): -44.7764 -44.7764 -44.7753 -44.7753 -21.7388 -21.7388 -21.6046 -21.6046 -21.1001 -21.1001 -21.0402 -21.0402 -20.6251 -20.6251 -20.4738 -20.4738 0.2309 0.2309 0.3454 0.3454 6.6678 6.6678 6.8172 6.8172 7.6048 7.6048 7.6895 7.6895 7.7424 7.7424 7.8909 7.8909 9.9424 9.9424 10.0613 10.0613 10.2506 10.2506 11.1529 11.1529 11.2776 11.2776 11.4230 11.4230 13.5877 13.5877 13.6684 13.6684 14.1319 14.1319 k = 0.4375 0.1585 1.3953 ( 8721 PWs) bands (ev): -44.7765 -44.7765 -44.7752 -44.7752 -21.7384 -21.7384 -21.6043 -21.6043 -21.1000 -21.1000 -21.0401 -21.0401 -20.6255 -20.6255 -20.4743 -20.4743 0.2308 0.2308 0.3451 0.3451 6.6591 6.6591 6.8229 6.8229 7.6014 7.6014 7.6833 7.6833 7.7473 7.7473 7.8961 7.8961 9.9445 9.9445 10.0565 10.0565 10.2603 10.2603 11.1468 11.1468 11.2838 11.2838 11.4217 11.4217 13.5841 13.5841 13.6722 13.6722 14.1308 14.1308 k = 0.4583 0.1661 1.3873 ( 8727 PWs) bands (ev): -44.7767 -44.7767 -44.7751 -44.7751 -21.7380 -21.7380 -21.6040 -21.6040 -21.0998 -21.0998 -21.0399 -21.0399 -20.6259 -20.6259 -20.4748 -20.4748 0.2307 0.2307 0.3446 0.3446 6.6508 6.6508 6.8279 6.8279 7.5991 7.5991 7.6770 7.6770 7.7516 7.7516 7.9013 7.9013 9.9471 9.9471 10.0532 10.0532 10.2683 10.2683 11.1416 11.1416 11.2897 11.2897 11.4197 11.4197 13.5810 13.5810 13.6755 13.6755 14.1305 14.1305 k = 0.4792 0.1736 1.3793 ( 8726 PWs) bands (ev): -44.7769 -44.7769 -44.7749 -44.7749 -21.7376 -21.7376 -21.6037 -21.6037 -21.0997 -21.0997 -21.0396 -21.0396 -20.6265 -20.6265 -20.4753 -20.4753 0.2306 0.2306 0.3442 0.3442 6.6429 6.6429 6.8318 6.8318 7.5978 7.5978 7.6710 7.6710 7.7550 7.7550 7.9064 7.9064 9.9504 9.9504 10.0516 10.0516 10.2745 10.2745 11.1374 11.1374 11.2953 11.2953 11.4169 11.4169 13.5781 13.5781 13.6784 13.6784 14.1312 14.1312 k = 0.5000 0.1812 1.3712 ( 8726 PWs) bands (ev): -44.7770 -44.7770 -44.7748 -44.7748 -21.7371 -21.7371 -21.6034 -21.6034 -21.0996 -21.0996 -21.0394 -21.0394 -20.6270 -20.6270 -20.4759 -20.4759 0.2305 0.2305 0.3436 0.3436 6.6355 6.6355 6.8347 6.8347 7.5974 7.5974 7.6654 7.6654 7.7570 7.7570 7.9116 7.9116 9.9544 9.9544 10.0516 10.0516 10.2785 10.2785 11.1341 11.1341 11.3006 11.3006 11.4134 11.4134 13.5752 13.5752 13.6809 13.6809 14.1267 14.1267 k = 0.5000 0.1812 1.3712 ( 8726 PWs) bands (ev): -44.7770 -44.7770 -44.7748 -44.7748 -21.7371 -21.7371 -21.6034 -21.6034 -21.0996 -21.0996 -21.0394 -21.0394 -20.6270 -20.6270 -20.4759 -20.4759 0.2305 0.2305 0.3436 0.3436 6.6355 6.6355 6.8347 6.8347 7.5974 7.5974 7.6654 7.6654 7.7570 7.7570 7.9116 7.9116 9.9544 9.9544 10.0516 10.0516 10.2785 10.2785 11.1341 11.1341 11.3006 11.3006 11.4134 11.4134 13.5752 13.5752 13.6809 13.6809 14.1267 14.1269 k = 0.5000 0.1812 1.3463 ( 8718 PWs) bands (ev): -44.7777 -44.7777 -44.7741 -44.7741 -21.7354 -21.7354 -21.6021 -21.6021 -21.0991 -21.0991 -21.0385 -21.0385 -20.6292 -20.6292 -20.4781 -20.4781 0.2303 0.2303 0.3414 0.3414 6.6117 6.6117 6.8431 6.8431 7.5960 7.5960 7.6482 7.6482 7.7613 7.7613 7.9296 7.9296 9.9694 9.9694 10.0545 10.0545 10.2888 10.2888 11.1248 11.1248 11.3189 11.3189 11.4002 11.4002 13.5643 13.5643 13.6887 13.6887 14.0530 14.0530 k = 0.5000 0.1812 1.3214 ( 8692 PWs) bands (ev): -44.7785 -44.7785 -44.7734 -44.7734 -21.7333 -21.7333 -21.6006 -21.6006 -21.0985 -21.0985 -21.0373 -21.0373 -20.6318 -20.6318 -20.4807 -20.4807 0.2298 0.2298 0.3385 0.3385 6.5847 6.5847 6.8535 6.8535 7.5872 7.5872 7.6344 7.6344 7.7664 7.7664 7.9496 7.9496 9.9880 9.9880 10.0582 10.0582 10.3013 10.3013 11.1135 11.1135 11.3412 11.3412 11.3843 11.3843 13.5488 13.5488 13.6982 13.6982 13.9787 13.9787 k = 0.5000 0.1812 1.2964 ( 8690 PWs) bands (ev): -44.7794 -44.7794 -44.7725 -44.7725 -21.7308 -21.7308 -21.5987 -21.5987 -21.0977 -21.0977 -21.0360 -21.0360 -20.6350 -20.6350 -20.4836 -20.4836 0.2292 0.2292 0.3350 0.3350 6.5557 6.5557 6.8659 6.8659 7.5657 7.5657 7.6295 7.6295 7.7725 7.7725 7.9705 7.9705 10.0100 10.0100 10.0629 10.0629 10.3161 10.3161 11.1004 11.1004 11.3657 11.3657 11.3677 11.3677 13.5269 13.5269 13.7094 13.7094 13.9079 13.9079 k = 0.5000 0.1812 1.2715 ( 8696 PWs) bands (ev): -44.7805 -44.7805 -44.7715 -44.7715 -21.7281 -21.7281 -21.5966 -21.5966 -21.0969 -21.0969 -21.0344 -21.0344 -20.6388 -20.6388 -20.4869 -20.4869 0.2283 0.2283 0.3308 0.3308 6.5257 6.5257 6.8803 6.8803 7.5347 7.5347 7.6308 7.6308 7.7797 7.7797 7.9912 7.9912 10.0347 10.0347 10.0693 10.0693 10.3331 10.3331 11.0854 11.0854 11.3448 11.3448 11.3982 11.3982 13.4969 13.4969 13.7222 13.7222 13.8436 13.8436 k = 0.5000 0.1812 1.2466 ( 8700 PWs) bands (ev): -44.7817 -44.7817 -44.7704 -44.7704 -21.7252 -21.7252 -21.5941 -21.5941 -21.0959 -21.0959 -21.0325 -21.0325 -20.6431 -20.6431 -20.4904 -20.4904 0.2271 0.2271 0.3258 0.3258 6.4956 6.4956 6.8966 6.8966 7.4979 7.4979 7.6347 7.6347 7.7882 7.7882 8.0105 8.0105 10.0586 10.0586 10.0810 10.0810 10.3524 10.3524 11.0686 11.0686 11.3221 11.3221 11.4326 11.4326 13.4571 13.4571 13.7365 13.7365 13.7883 13.7883 k = 0.5000 0.1812 1.2216 ( 8708 PWs) bands (ev): -44.7831 -44.7831 -44.7691 -44.7691 -21.7221 -21.7221 -21.5913 -21.5913 -21.0948 -21.0948 -21.0305 -21.0305 -20.6481 -20.6481 -20.4942 -20.4942 0.2255 0.2255 0.3198 0.3198 6.4662 6.4662 6.9148 6.9148 7.4573 7.4573 7.6401 7.6401 7.7981 7.7981 8.0276 8.0276 10.0730 10.0730 10.1064 10.1064 10.3742 10.3742 11.0499 11.0499 11.2979 11.2979 11.4709 11.4709 13.4074 13.4074 13.7407 13.7407 13.7538 13.7538 k = 0.5000 0.1812 1.1967 ( 8708 PWs) bands (ev): -44.7846 -44.7846 -44.7677 -44.7677 -21.7188 -21.7188 -21.5882 -21.5882 -21.0936 -21.0936 -21.0281 -21.0281 -20.6538 -20.6538 -20.4980 -20.4980 0.2234 0.2234 0.3129 0.3129 6.4384 6.4384 6.9348 6.9348 7.4139 7.4139 7.6465 7.6465 7.8095 7.8095 8.0415 8.0415 10.0824 10.0824 10.1409 10.1409 10.3985 10.3985 11.0288 11.0288 11.2729 11.2729 11.5131 11.5131 13.3491 13.3491 13.7036 13.7036 13.7702 13.7702 k = 0.5000 0.1812 1.1718 ( 8708 PWs) bands (ev): -44.7862 -44.7862 -44.7662 -44.7662 -21.7155 -21.7155 -21.5848 -21.5848 -21.0923 -21.0923 -21.0255 -21.0255 -20.6601 -20.6601 -20.5020 -20.5020 0.2208 0.2208 0.3048 0.3048 6.4126 6.4126 6.9566 6.9566 7.3685 7.3685 7.6537 7.6537 7.8224 7.8224 8.0517 8.0517 10.0914 10.0914 10.1794 10.1794 10.4258 10.4258 11.0053 11.0053 11.2478 11.2478 11.5590 11.5590 13.2847 13.2847 13.6712 13.6712 13.7887 13.7887 k = 0.5000 0.1812 1.1469 ( 8704 PWs) bands (ev): -44.7879 -44.7879 -44.7646 -44.7646 -21.7120 -21.7120 -21.5811 -21.5811 -21.0909 -21.0909 -21.0225 -21.0225 -20.6671 -20.6671 -20.5059 -20.5059 0.2175 0.2175 0.2957 0.2957 6.3896 6.3896 6.9801 6.9801 7.3217 7.3217 7.6617 7.6617 7.8370 7.8370 8.0576 8.0576 10.1009 10.1009 10.2205 10.2205 10.4566 10.4566 10.9787 10.9787 11.2232 11.2232 11.6085 11.6085 13.2163 13.2163 13.6423 13.6423 13.8083 13.8088 k = 0.5000 0.1812 1.1219 ( 8694 PWs) bands (ev): -44.7897 -44.7897 -44.7629 -44.7629 -21.7086 -21.7086 -21.5771 -21.5771 -21.0893 -21.0893 -21.0193 -21.0193 -20.6747 -20.6747 -20.5099 -20.5099 0.2135 0.2135 0.2853 0.2853 6.3697 6.3697 7.0052 7.0052 7.2744 7.2744 7.6704 7.6704 7.8531 7.8531 8.0590 8.0590 10.1113 10.1113 10.2631 10.2631 10.4913 10.4913 10.9487 10.9487 11.2000 11.2000 11.6615 11.6615 13.1453 13.1453 13.6149 13.6149 13.7557 13.7557 k = 0.5000 0.1812 1.0970 ( 8694 PWs) bands (ev): -44.7917 -44.7917 -44.7610 -44.7610 -21.7052 -21.7052 -21.5728 -21.5728 -21.0877 -21.0877 -21.0157 -21.0157 -20.6831 -20.6831 -20.5137 -20.5137 0.2087 0.2087 0.2736 0.2736 6.3533 6.3533 7.0315 7.0315 7.2273 7.2273 7.6799 7.6799 7.8710 7.8710 8.0557 8.0557 10.1227 10.1227 10.3063 10.3063 10.5308 10.5308 10.9151 10.9151 11.1785 11.1785 11.7178 11.7178 13.0729 13.0729 13.5881 13.5881 13.6882 13.6882 k = 0.5000 0.1812 1.0721 ( 8692 PWs) bands (ev): -44.7937 -44.7937 -44.7591 -44.7591 -21.7019 -21.7019 -21.5683 -21.5683 -21.0860 -21.0860 -21.0118 -21.0118 -20.6921 -20.6921 -20.5175 -20.5175 0.2030 0.2030 0.2605 0.2605 6.3408 6.3408 7.0584 7.0584 7.1817 7.1817 7.6901 7.6901 7.8904 7.8904 8.0477 8.0477 10.1351 10.1351 10.3492 10.3492 10.5756 10.5756 10.8779 10.8779 11.1591 11.1591 11.7773 11.7773 12.9995 12.9995 13.5608 13.5608 13.6185 13.6185 k = 0.5000 0.1812 1.0471 ( 8688 PWs) bands (ev): -44.7959 -44.7959 -44.7571 -44.7571 -21.6987 -21.6987 -21.5636 -21.5636 -21.0842 -21.0842 -21.0075 -21.0075 -20.7017 -20.7017 -20.5211 -20.5211 0.1964 0.1964 0.2461 0.2461 6.3324 6.3324 7.0812 7.0812 7.1427 7.1427 7.7010 7.7010 7.9114 7.9114 8.0353 8.0353 10.1486 10.1486 10.3911 10.3911 10.6263 10.6263 10.8373 10.8373 11.1416 11.1416 11.8396 11.8396 12.9253 12.9253 13.5327 13.5327 13.5472 13.5472 k = 0.5000 0.1812 1.0222 ( 8692 PWs) bands (ev): -44.7981 -44.7981 -44.7550 -44.7550 -21.6956 -21.6956 -21.5586 -21.5586 -21.0823 -21.0823 -21.0028 -21.0028 -20.7118 -20.7118 -20.5245 -20.5245 0.1886 0.1886 0.2301 0.2301 6.3282 6.3282 7.0727 7.0727 7.1382 7.1382 7.7126 7.7126 7.9334 7.9334 8.0192 8.0192 10.1633 10.1633 10.4317 10.4317 10.6830 10.6830 10.7937 10.7937 11.1260 11.1260 11.9047 11.9047 12.8505 12.8505 13.4740 13.4740 13.5037 13.5037 k = 0.5000 0.1812 0.9973 ( 8690 PWs) bands (ev): -44.8005 -44.8005 -44.7528 -44.7528 -21.6927 -21.6927 -21.5535 -21.5535 -21.0804 -21.0804 -20.9977 -20.9977 -20.7225 -20.7225 -20.5277 -20.5277 0.1797 0.1797 0.2127 0.2127 6.3283 6.3283 7.0360 7.0360 7.1652 7.1652 7.7247 7.7247 7.9543 7.9543 8.0022 8.0022 10.1791 10.1791 10.4708 10.4708 10.7417 10.7417 10.7514 10.7514 11.1118 11.1118 11.9720 11.9720 12.7750 12.7750 13.3998 13.3998 13.4729 13.4729 k = 0.5000 0.1812 0.9723 ( 8684 PWs) bands (ev): -44.8029 -44.8029 -44.7505 -44.7505 -21.6900 -21.6900 -21.5483 -21.5483 -21.0785 -21.0785 -20.9922 -20.9922 -20.7337 -20.7337 -20.5308 -20.5308 0.1697 0.1697 0.1938 0.1938 6.3328 6.3328 6.9969 6.9969 7.1985 7.1985 7.7374 7.7374 7.9588 7.9588 8.0001 8.0001 10.1962 10.1962 10.5089 10.5089 10.6988 10.6988 10.8139 10.8139 11.0988 11.0988 12.0414 12.0414 12.6990 12.6990 13.3246 13.3246 13.4403 13.4403 k = 0.5000 0.1812 0.9474 ( 8688 PWs) bands (ev): -44.8054 -44.8054 -44.7481 -44.7481 -21.6875 -21.6875 -21.5430 -21.5430 -21.0767 -21.0767 -20.9862 -20.9862 -20.7452 -20.7452 -20.5336 -20.5336 0.1583 0.1583 0.1734 0.1734 6.3415 6.3415 6.9596 6.9596 7.2343 7.2343 7.7501 7.7501 7.9386 7.9386 8.0221 8.0221 10.2144 10.2144 10.5459 10.5459 10.6492 10.6492 10.8865 10.8865 11.0866 11.0866 12.1122 12.1122 12.6225 12.6225 13.2487 13.2487 13.4058 13.4058 k = 0.5000 0.1812 0.9225 ( 8682 PWs) bands (ev): -44.8079 -44.8079 -44.7457 -44.7457 -21.6853 -21.6853 -21.5377 -21.5377 -21.0748 -21.0748 -20.9798 -20.9798 -20.7570 -20.7570 -20.5362 -20.5362 0.1456 0.1456 0.1517 0.1517 6.3543 6.3543 6.9249 6.9249 7.2719 7.2719 7.7622 7.7622 7.9127 7.9127 8.0507 8.0507 10.2339 10.2339 10.5788 10.5788 10.6021 10.6021 10.9632 10.9632 11.0749 11.0749 12.1841 12.1841 12.5455 12.5455 13.1721 13.1721 13.3689 13.3689 k = 0.5000 0.1812 0.8975 ( 8678 PWs) bands (ev): -44.8105 -44.8105 -44.7433 -44.7433 -21.6832 -21.6832 -21.5325 -21.5325 -21.0731 -21.0731 -20.9729 -20.9729 -20.7691 -20.7691 -20.5387 -20.5387 0.1278 0.1278 0.1322 0.1322 6.3708 6.3708 6.8935 6.8935 7.3111 7.3111 7.7718 7.7718 7.8875 7.8875 8.0818 8.0818 10.2546 10.2546 10.5437 10.5437 10.6220 10.6220 11.0413 11.0413 11.0659 11.0659 12.2563 12.2563 12.4681 12.4681 13.0952 13.0952 13.3296 13.3296 k = 0.5000 0.1812 0.8726 ( 8674 PWs) bands (ev): -44.8132 -44.8132 -44.7407 -44.7407 -21.6814 -21.6814 -21.5273 -21.5273 -21.0715 -21.0715 -20.9656 -20.9656 -20.7812 -20.7812 -20.5409 -20.5409 0.1034 0.1034 0.1167 0.1167 6.3906 6.3906 6.8656 6.8656 7.3517 7.3517 7.7749 7.7749 7.8690 7.8690 8.1148 8.1148 10.2765 10.2765 10.4917 10.4917 10.6585 10.6585 11.0501 11.0501 11.1294 11.1294 12.3279 12.3279 12.3907 12.3907 13.0182 13.0182 13.2877 13.2877 k = 0.5000 0.1812 0.8477 ( 8674 PWs) bands (ev): -44.8159 -44.8159 -44.7382 -44.7382 -21.6798 -21.6798 -21.5222 -21.5222 -21.0700 -21.0700 -20.9579 -20.9579 -20.7934 -20.7934 -20.5429 -20.5429 0.0774 0.0774 0.1001 0.1001 6.4130 6.4130 6.8416 6.8416 7.3937 7.3937 7.7658 7.7658 7.8638 7.8638 8.1493 8.1493 10.2995 10.2995 10.4391 10.4391 10.6959 10.6959 11.0388 11.0388 11.2157 11.2157 12.3126 12.3126 12.3988 12.3988 12.9411 12.9411 13.2431 13.2431 k = 0.5000 0.1812 0.8227 ( 8666 PWs) bands (ev): -44.8186 -44.8186 -44.7356 -44.7356 -21.6785 -21.6785 -21.5173 -21.5173 -21.0687 -21.0687 -20.9497 -20.9497 -20.8055 -20.8055 -20.5446 -20.5446 0.0502 0.0502 0.0822 0.0822 6.4374 6.4374 6.8216 6.8216 7.4369 7.4369 7.7466 7.7466 7.8714 7.8714 8.1851 8.1851 10.3236 10.3236 10.3865 10.3865 10.7340 10.7340 11.0270 11.0270 11.3049 11.3049 12.2353 12.2353 12.4662 12.4662 12.8641 12.8641 13.1959 13.1959 k = 0.5000 0.1812 0.7978 ( 8674 PWs) bands (ev): -44.8214 -44.8214 -44.7330 -44.7330 -21.6775 -21.6775 -21.5126 -21.5126 -21.0676 -21.0676 -20.9413 -20.9413 -20.8175 -20.8175 -20.5462 -20.5462 0.0219 0.0219 0.0630 0.0630 6.4626 6.4626 6.8058 6.8058 7.4811 7.4811 7.7242 7.7242 7.8861 7.8861 8.2220 8.2220 10.3330 10.3330 10.3498 10.3498 10.7728 10.7728 11.0147 11.0147 11.3963 11.3963 12.1582 12.1582 12.5294 12.5294 12.7876 12.7876 13.1460 13.1460 k = 0.5000 0.1812 0.7729 ( 8676 PWs) bands (ev): -44.8241 -44.8241 -44.7303 -44.7303 -21.6766 -21.6766 -21.5081 -21.5081 -21.0668 -21.0668 -20.9325 -20.9325 -20.8290 -20.8290 -20.5475 -20.5475 -0.0074 -0.0074 0.0425 0.0425 6.4875 6.4875 6.7943 6.7943 7.5259 7.5259 7.7041 7.7041 7.9046 7.9046 8.2598 8.2598 10.2818 10.2818 10.3753 10.3753 10.8124 10.8124 11.0022 11.0022 11.4895 11.4895 12.0818 12.0818 12.5861 12.5861 12.7119 12.7119 13.0936 13.0936 k = 0.5000 0.1812 0.7479 ( 8676 PWs) bands (ev): -44.8269 -44.8269 -44.7277 -44.7277 -21.6761 -21.6761 -21.5039 -21.5039 -21.0663 -21.0663 -20.9236 -20.9236 -20.8401 -20.8401 -20.5485 -20.5485 -0.0376 -0.0376 0.0209 0.0209 6.5107 6.5107 6.7872 6.7872 7.5705 7.5705 7.6901 7.6901 7.9252 7.9252 8.2984 8.2984 10.2307 10.2307 10.4022 10.4022 10.8530 10.8530 10.9894 10.9894 11.5840 11.5840 12.0062 12.0062 12.6220 12.6220 12.6493 12.6493 13.0391 13.0391 k = 0.5000 0.1812 0.7230 ( 8680 PWs) bands (ev): -44.8297 -44.8297 -44.7250 -44.7250 -21.6758 -21.6758 -21.4998 -21.4998 -21.0662 -21.0662 -20.9148 -20.9148 -20.8504 -20.8504 -20.5493 -20.5493 -0.0686 -0.0686 -0.0019 -0.0019 6.5306 6.5306 6.7847 6.7847 7.6118 7.6118 7.6877 7.6877 7.9475 7.9475 8.3373 8.3373 10.1806 10.1806 10.4298 10.4298 10.8948 10.8948 10.9764 10.9764 11.6793 11.6793 11.9323 11.9323 12.5576 12.5576 12.6772 12.6772 12.9827 12.9827 k = 0.5000 0.1812 0.6981 ( 8676 PWs) bands (ev): -44.8325 -44.8325 -44.7223 -44.7223 -21.6757 -21.6757 -21.4961 -21.4961 -21.0666 -21.0666 -20.9065 -20.9065 -20.8594 -20.8594 -20.5499 -20.5499 -0.1002 -0.1002 -0.0256 -0.0256 6.5457 6.5457 6.7865 6.7865 7.6424 7.6424 7.7061 7.7061 7.9712 7.9712 8.3764 8.3764 10.1317 10.1317 10.4580 10.4580 10.9377 10.9377 10.9632 10.9632 11.7717 11.7717 11.8632 11.8632 12.4838 12.4838 12.7026 12.7026 12.9248 12.9248 k = 0.5000 0.1812 0.6732 ( 8668 PWs) bands (ev): -44.8353 -44.8353 -44.7197 -44.7197 -21.6759 -21.6759 -21.4926 -21.4926 -21.0673 -21.0673 -20.8998 -20.8998 -20.8659 -20.8659 -20.5502 -20.5502 -0.1323 -0.1323 -0.0503 -0.0503 6.5546 6.5546 6.7928 6.7928 7.6635 7.6635 7.7456 7.7456 7.9960 7.9960 8.4154 8.4154 10.0841 10.0841 10.4864 10.4864 10.9500 10.9500 10.9820 10.9820 11.7776 11.7776 11.8826 11.8826 12.4103 12.4103 12.7142 12.7142 12.8658 12.8658 k = 0.5000 0.1812 0.6482 ( 8668 PWs) bands (ev): -44.8380 -44.8380 -44.7171 -44.7171 -21.6763 -21.6763 -21.4894 -21.4894 -21.0686 -21.0686 -20.8974 -20.8974 -20.8674 -20.8674 -20.5501 -20.5501 -0.1647 -0.1647 -0.0757 -0.0757 6.5567 6.5567 6.8033 6.8033 7.6880 7.6880 7.7943 7.7943 8.0218 8.0218 8.4540 8.4540 10.0382 10.0382 10.5149 10.5149 10.9368 10.9368 11.0278 11.0278 11.7106 11.7106 11.9768 11.9768 12.3376 12.3376 12.7109 12.7109 12.8065 12.8065 k = 0.5000 0.1812 0.6233 ( 8680 PWs) bands (ev): -44.8408 -44.8408 -44.7144 -44.7144 -21.6770 -21.6770 -21.4865 -21.4865 -21.0704 -21.0704 -20.9000 -20.9000 -20.8631 -20.8631 -20.5498 -20.5498 -0.1973 -0.1973 -0.1018 -0.1018 6.5515 6.5515 6.8180 6.8180 7.7215 7.7215 7.8469 7.8469 8.0486 8.0486 8.4918 8.4918 9.9941 9.9941 10.5430 10.5430 10.9236 10.9236 11.0752 11.0752 11.6423 11.6423 12.0737 12.0737 12.2659 12.2659 12.6927 12.6927 12.7476 12.7476 k = 0.5000 0.1812 0.5984 ( 8682 PWs) bands (ev): -44.8434 -44.8434 -44.7119 -44.7119 -21.6779 -21.6779 -21.4838 -21.4838 -21.0728 -21.0728 -20.9052 -20.9052 -20.8555 -20.8555 -20.5492 -20.5492 -0.2299 -0.2299 -0.1284 -0.1284 6.5393 6.5393 6.8365 6.8365 7.7651 7.7651 7.9019 7.9019 8.0762 8.0762 8.5284 8.5284 9.9520 9.9520 10.5705 10.5705 10.9107 10.9107 11.1243 11.1243 11.5755 11.5755 12.1694 12.1694 12.1965 12.1965 12.6596 12.6596 12.6915 12.6915 k = 0.5000 0.1812 0.5734 ( 8670 PWs) bands (ev): -44.8461 -44.8461 -44.7093 -44.7093 -21.6791 -21.6791 -21.4814 -21.4814 -21.0757 -21.0757 -20.9107 -20.9107 -20.8467 -20.8467 -20.5482 -20.5482 -0.2624 -0.2624 -0.1555 -0.1555 6.5209 6.5209 6.8588 6.8588 7.8184 7.8184 7.9588 7.9588 8.1046 8.1046 8.5636 8.5636 9.9122 9.9122 10.5969 10.5969 10.8981 10.8981 11.1753 11.1753 11.5106 11.5106 12.1253 12.1253 12.2670 12.2670 12.6122 12.6122 12.6406 12.6406 k = 0.5000 0.1812 0.5485 ( 8678 PWs) bands (ev): -44.8487 -44.8487 -44.7068 -44.7068 -21.6805 -21.6805 -21.4793 -21.4793 -21.0791 -21.0791 -20.9159 -20.9159 -20.8376 -20.8376 -20.5469 -20.5469 -0.2947 -0.2947 -0.1827 -0.1827 6.4972 6.4972 6.8847 6.8847 7.8801 7.8801 8.0176 8.0176 8.1338 8.1338 8.5969 8.5969 9.8750 9.8750 10.6217 10.6217 10.8858 10.8858 11.2281 11.2281 11.4480 11.4480 12.0573 12.0573 12.3603 12.3603 12.5580 12.5580 12.5912 12.5912 k = 0.5000 0.1812 0.5236 ( 8672 PWs) bands (ev): -44.8512 -44.8512 -44.7044 -44.7044 -21.6820 -21.6820 -21.4773 -21.4773 -21.0830 -21.0830 -20.9206 -20.9206 -20.8285 -20.8285 -20.5452 -20.5452 -0.3266 -0.3266 -0.2101 -0.2101 6.4694 6.4694 6.9141 6.9141 7.9486 7.9486 8.0783 8.0783 8.1637 8.1637 8.6281 8.6281 9.8407 9.8407 10.6442 10.6442 10.8739 10.8739 11.2822 11.2822 11.3885 11.3885 11.9905 11.9905 12.4425 12.4425 12.5088 12.5088 12.5425 12.5425 k = 0.5000 0.1812 0.4986 ( 8676 PWs) bands (ev): -44.8537 -44.8537 -44.7020 -44.7020 -21.6838 -21.6838 -21.4756 -21.4756 -21.0873 -21.0873 -20.9246 -20.9246 -20.8196 -20.8196 -20.5432 -20.5432 -0.3579 -0.3579 -0.2373 -0.2373 6.4383 6.4383 6.9467 6.9467 8.0221 8.0221 8.1407 8.1407 8.1944 8.1944 8.6567 8.6567 9.8096 9.8096 10.6638 10.6638 10.8626 10.8626 11.3190 11.3190 11.3509 11.3509 11.9253 11.9253 12.4342 12.4342 12.4789 12.4789 12.5618 12.5618 k = 0.5000 0.1812 0.4737 ( 8678 PWs) bands (ev): -44.8561 -44.8561 -44.6997 -44.6997 -21.6857 -21.6857 -21.4741 -21.4741 -21.0919 -21.0919 -20.9279 -20.9279 -20.8111 -20.8111 -20.5408 -20.5408 -0.3886 -0.3886 -0.2644 -0.2644 6.4051 6.4051 6.9823 6.9823 8.0986 8.0986 8.2034 8.2034 8.2277 8.2277 8.6824 8.6824 9.7822 9.7822 10.6797 10.6797 10.8517 10.8517 11.2711 11.2711 11.4028 11.4028 11.8617 11.8617 12.3829 12.3829 12.4272 12.4272 12.6442 12.6442 k = 0.5000 0.1812 0.4488 ( 8680 PWs) bands (ev): -44.8584 -44.8584 -44.6975 -44.6975 -21.6878 -21.6878 -21.4727 -21.4727 -21.0967 -21.0967 -20.9306 -20.9306 -20.8029 -20.8029 -20.5381 -20.5381 -0.4185 -0.4185 -0.2911 -0.2911 6.3705 6.3705 7.0207 7.0207 8.1760 8.1760 8.2505 8.2505 8.2797 8.2797 8.7050 8.7050 9.7590 9.7590 10.6911 10.6911 10.8413 10.8413 11.2191 11.2191 11.4636 11.4636 11.8000 11.8000 12.3312 12.3312 12.3754 12.3754 12.7269 12.7269 k = 0.5000 0.1812 0.4238 ( 8680 PWs) bands (ev): -44.8606 -44.8606 -44.6953 -44.6953 -21.6900 -21.6900 -21.4716 -21.4716 -21.1016 -21.1016 -20.9328 -20.9328 -20.7953 -20.7953 -20.5351 -20.5351 -0.4475 -0.4475 -0.3173 -0.3173 6.3353 6.3353 7.0615 7.0615 8.2521 8.2521 8.2841 8.2841 8.3488 8.3488 8.7242 8.7242 9.7405 9.7405 10.6971 10.6971 10.8313 10.8313 11.1697 11.1697 11.5264 11.5264 11.7407 11.7407 12.2817 12.2817 12.3264 12.3264 12.8047 12.8047 k = 0.5000 0.1812 0.3989 ( 8678 PWs) bands (ev): -44.8627 -44.8627 -44.6932 -44.6932 -21.6923 -21.6923 -21.4705 -21.4705 -21.1066 -21.1066 -20.9345 -20.9345 -20.7881 -20.7881 -20.5318 -20.5318 -0.4754 -0.4754 -0.3428 -0.3428 6.3000 6.3000 7.1046 7.1046 8.3109 8.3109 8.3316 8.3316 8.4215 8.4215 8.7399 8.7399 9.7275 9.7275 10.6969 10.6969 10.8217 10.8217 11.1233 11.1233 11.5886 11.5886 11.6861 11.6861 12.2356 12.2356 12.2817 12.2817 12.8748 12.8748 k = 0.5000 0.1812 0.3740 ( 8676 PWs) bands (ev): -44.8648 -44.8648 -44.6913 -44.6913 -21.6947 -21.6947 -21.4697 -21.4697 -21.1116 -21.1116 -20.9358 -20.9358 -20.7815 -20.7815 -20.5282 -20.5282 -0.5022 -0.5022 -0.3675 -0.3675 6.2651 6.2651 7.1496 7.1496 8.3433 8.3433 8.4029 8.4029 8.4951 8.4951 8.7519 8.7519 9.7206 9.7206 10.6898 10.6898 10.8121 10.8121 11.0803 11.0803 11.6112 11.6112 11.6747 11.6747 12.1937 12.1937 12.2424 12.2424 12.9337 12.9337 k = 0.5000 0.1812 0.3490 ( 8692 PWs) bands (ev): -44.8667 -44.8667 -44.6894 -44.6894 -21.6971 -21.6971 -21.4689 -21.4689 -21.1164 -21.1164 -20.9367 -20.9367 -20.7755 -20.7755 -20.5245 -20.5245 -0.5278 -0.5278 -0.3913 -0.3913 6.2312 6.2312 7.1960 7.1960 8.3735 8.3735 8.4740 8.4740 8.5671 8.5671 8.7602 8.7602 9.7205 9.7205 10.6753 10.6753 10.8023 10.8023 11.0412 11.0412 11.5651 11.5651 11.7354 11.7354 12.1567 12.1567 12.2093 12.2093 12.9777 12.9777 k = 0.5000 0.1812 0.3241 ( 8702 PWs) bands (ev): -44.8685 -44.8685 -44.6876 -44.6876 -21.6995 -21.6995 -21.4683 -21.4683 -21.1211 -21.1211 -20.9374 -20.9374 -20.7700 -20.7700 -20.5206 -20.5206 -0.5520 -0.5520 -0.4140 -0.4140 6.1985 6.1985 7.2437 7.2437 8.4027 8.4027 8.5440 8.5440 8.6352 8.6352 8.7649 8.7649 9.7279 9.7279 10.6531 10.6531 10.7919 10.7919 11.0065 11.0065 11.5149 11.5149 11.8032 11.8032 12.1251 12.1251 12.1830 12.1830 13.0054 13.0054 k = 0.5000 0.1812 0.2992 ( 8708 PWs) bands (ev): -44.8702 -44.8702 -44.6859 -44.6859 -21.7020 -21.7020 -21.4677 -21.4677 -21.1255 -21.1255 -20.9378 -20.9378 -20.7650 -20.7650 -20.5166 -20.5166 -0.5748 -0.5748 -0.4356 -0.4356 6.1672 6.1672 7.2921 7.2921 8.4308 8.4308 8.6129 8.6129 8.6976 8.6976 8.7662 8.7662 9.7431 9.7431 10.6236 10.6236 10.7801 10.7801 10.9765 10.9765 11.4663 11.4663 11.8716 11.8716 12.0994 12.0994 12.1637 12.1637 13.0195 13.0195 k = 0.5000 0.1812 0.2742 ( 8696 PWs) bands (ev): -44.8718 -44.8718 -44.6844 -44.6844 -21.7043 -21.7043 -21.4673 -21.4673 -21.1297 -21.1297 -20.9381 -20.9381 -20.7606 -20.7606 -20.5126 -20.5126 -0.5960 -0.5960 -0.4558 -0.4558 6.1378 6.1378 7.3407 7.3407 8.4576 8.4576 8.6803 8.6803 8.7532 8.7532 8.7644 8.7644 9.7659 9.7659 10.5872 10.5872 10.7665 10.7665 10.9518 10.9518 11.4201 11.4201 11.9386 11.9386 12.0805 12.0805 12.1515 12.1515 13.0254 13.0254 k = 0.5000 0.1812 0.2493 ( 8700 PWs) bands (ev): -44.8733 -44.8733 -44.6830 -44.6830 -21.7066 -21.7066 -21.4669 -21.4669 -21.1336 -21.1336 -20.9382 -20.9382 -20.7567 -20.7567 -20.5087 -20.5087 -0.6157 -0.6157 -0.4747 -0.4747 6.1103 6.1103 7.3892 7.3892 8.4826 8.4826 8.7430 8.7430 8.7610 8.7610 8.8034 8.8034 9.7956 9.7956 10.5450 10.5450 10.7509 10.7509 10.9324 10.9324 11.3768 11.3768 12.0009 12.0009 12.0702 12.0702 12.1463 12.1463 13.0284 13.0284 k = 0.5000 0.1812 0.2244 ( 8692 PWs) bands (ev): -44.8746 -44.8746 -44.6817 -44.6817 -21.7088 -21.7088 -21.4666 -21.4666 -21.1371 -21.1371 -20.9383 -20.9383 -20.7533 -20.7533 -20.5049 -20.5049 -0.6337 -0.6337 -0.4920 -0.4920 6.0850 6.0850 7.4368 7.4368 8.5056 8.5056 8.7512 8.7512 8.8019 8.8019 8.8526 8.8526 9.8306 9.8306 10.4980 10.4980 10.7333 10.7333 10.9181 10.9181 11.3366 11.3366 12.0422 12.0422 12.0823 12.0823 12.1485 12.1485 13.0322 13.0322 k = 0.5000 0.1812 0.1995 ( 8684 PWs) bands (ev): -44.8759 -44.8759 -44.6805 -44.6805 -21.7108 -21.7108 -21.4663 -21.4663 -21.1403 -21.1403 -20.9382 -20.9382 -20.7504 -20.7504 -20.5013 -20.5013 -0.6500 -0.6500 -0.5078 -0.5078 6.0620 6.0620 7.4831 7.4831 8.5260 8.5260 8.7429 8.7429 8.8423 8.8423 8.9085 8.9085 9.8689 9.8689 10.4480 10.4480 10.7143 10.7143 10.9081 10.9081 11.2998 11.2998 12.0512 12.0512 12.1209 12.1209 12.1633 12.1633 13.0393 13.0393 k = 0.5000 0.1812 0.1745 ( 8674 PWs) bands (ev): -44.8769 -44.8769 -44.6794 -44.6794 -21.7127 -21.7127 -21.4661 -21.4661 -21.1432 -21.1432 -20.9382 -20.9382 -20.7478 -20.7478 -20.4980 -20.4980 -0.6645 -0.6645 -0.5219 -0.5219 6.0415 6.0415 7.5272 7.5272 8.5433 8.5433 8.7336 8.7336 8.8694 8.8694 8.9694 8.9694 9.9078 9.9078 10.3968 10.3968 10.6949 10.6949 10.9015 10.9015 11.2665 11.2665 12.0587 12.0587 12.1432 12.1432 12.1996 12.1996 13.0512 13.0512 k = 0.5000 0.1812 0.1496 ( 8668 PWs) bands (ev): -44.8779 -44.8779 -44.6785 -44.6785 -21.7143 -21.7143 -21.4659 -21.4659 -21.1457 -21.1457 -20.9381 -20.9381 -20.7457 -20.7457 -20.4950 -20.4950 -0.6771 -0.6771 -0.5342 -0.5342 6.0234 6.0234 7.5684 7.5684 8.5569 8.5569 8.7248 8.7248 8.8881 8.8881 9.0308 9.0308 9.9443 9.9443 10.3467 10.3467 10.6757 10.6757 10.8973 10.8973 11.2371 11.2371 12.0700 12.0700 12.1571 12.1571 12.2414 12.2414 13.0685 13.0685 k = 0.5000 0.1812 0.1247 ( 8676 PWs) bands (ev): -44.8787 -44.8787 -44.6777 -44.6777 -21.7158 -21.7158 -21.4658 -21.4658 -21.1478 -21.1478 -20.9379 -20.9379 -20.7439 -20.7439 -20.4923 -20.4923 -0.6879 -0.6879 -0.5448 -0.5448 6.0080 6.0080 7.6057 7.6057 8.5664 8.5664 8.7173 8.7173 8.9013 8.9013 9.0896 9.0896 9.9752 9.9752 10.3009 10.3009 10.6577 10.6577 10.8947 10.8947 11.2118 11.2118 12.0846 12.0846 12.1702 12.1702 12.2784 12.2784 13.0909 13.0909 k = 0.5000 0.1812 0.0997 ( 8678 PWs) bands (ev): -44.8793 -44.8793 -44.6771 -44.6771 -21.7170 -21.7170 -21.4657 -21.4657 -21.1495 -21.1495 -20.9378 -20.9378 -20.7425 -20.7425 -20.4901 -20.4901 -0.6968 -0.6968 -0.5535 -0.5535 5.9953 5.9953 7.6383 7.6383 8.5717 8.5717 8.7120 8.7120 8.9105 8.9105 9.1438 9.1438 9.9972 9.9972 10.2631 10.2631 10.6414 10.6414 10.8931 10.8931 11.1908 11.1908 12.1005 12.1005 12.1836 12.1836 12.3085 12.3085 13.1168 13.1168 k = 0.5000 0.1812 0.0748 ( 8676 PWs) bands (ev): -44.8798 -44.8798 -44.6766 -44.6766 -21.7180 -21.7180 -21.4656 -21.4656 -21.1509 -21.1509 -20.9377 -20.9377 -20.7415 -20.7415 -20.4883 -20.4883 -0.7037 -0.7037 -0.5603 -0.5603 5.9854 5.9854 7.6651 7.6651 8.5735 8.5735 8.7090 8.7090 8.9167 8.9167 9.1908 9.1908 10.0077 10.0077 10.2369 10.2369 10.6277 10.6277 10.8922 10.8922 11.1742 11.1742 12.1154 12.1154 12.1967 12.1967 12.3312 12.3312 13.1436 13.1436 k = 0.5000 0.1812 0.0499 ( 8672 PWs) bands (ev): -44.8802 -44.8802 -44.6762 -44.6762 -21.7187 -21.7187 -21.4656 -21.4656 -21.1518 -21.1518 -20.9376 -20.9376 -20.7407 -20.7407 -20.4870 -20.4870 -0.7087 -0.7087 -0.5652 -0.5652 5.9783 5.9783 7.6850 7.6850 8.5732 8.5732 8.7077 8.7077 8.9207 8.9207 9.2278 9.2278 10.0079 10.0079 10.2229 10.2229 10.6172 10.6172 10.8918 10.8918 11.1622 11.1622 12.1272 12.1272 12.2081 12.2081 12.3470 12.3470 13.1677 13.1677 k = 0.5000 0.1812 0.0249 ( 8668 PWs) bands (ev): -44.8804 -44.8804 -44.6760 -44.6760 -21.7191 -21.7191 -21.4655 -21.4655 -21.1524 -21.1524 -20.9376 -20.9376 -20.7403 -20.7403 -20.4863 -20.4863 -0.7117 -0.7117 -0.5681 -0.5681 5.9740 5.9740 7.6974 7.6974 8.5723 8.5723 8.7074 8.7074 8.9229 8.9229 9.2517 9.2517 10.0036 10.0036 10.2176 10.2176 10.6106 10.6106 10.8915 10.8915 11.1550 11.1550 12.1347 12.1347 12.2161 12.2161 12.3563 12.3563 13.1846 13.1846 k = 0.5000 0.1812-0.0000 ( 8684 PWs) bands (ev): -44.8805 -44.8805 -44.6759 -44.6759 -21.7192 -21.7192 -21.4655 -21.4655 -21.1526 -21.1526 -20.9376 -20.9376 -20.7401 -20.7401 -20.4860 -20.4860 -0.7127 -0.7127 -0.5691 -0.5691 5.9726 5.9726 7.7016 7.7016 8.5718 8.5718 8.7074 8.7074 8.9236 8.9236 9.2601 9.2601 10.0013 10.0013 10.2165 10.2165 10.6084 10.6084 10.8914 10.8914 11.1526 11.1526 12.1372 12.1372 12.2190 12.2190 12.3593 12.3593 13.1907 13.1907 k = 0.0000 0.0000 1.4676 ( 8730 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3473 0.3473 6.6837 6.6837 6.8179 6.8179 7.5920 7.5920 7.7028 7.7028 7.7487 7.7487 7.8779 7.8779 9.9271 9.9271 10.0441 10.0441 10.2629 10.2629 11.1613 11.1613 11.2593 11.2593 11.4375 11.4375 13.5918 13.5918 13.6662 13.6662 14.1319 14.1319 k = 0.0227 0.0082 1.4676 ( 8722 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3473 0.3473 6.6842 6.6842 6.8172 6.8172 7.5928 7.5928 7.7031 7.7031 7.7482 7.7482 7.8775 7.8775 9.9273 9.9273 10.0451 10.0451 10.2616 10.2616 11.1621 11.1621 11.2589 11.2589 11.4371 11.4371 13.5922 13.5922 13.6658 13.6658 14.1322 14.1322 k = 0.0455 0.0165 1.4676 ( 8744 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3473 0.3473 6.6858 6.6858 6.8150 6.8150 7.5949 7.5949 7.7038 7.7038 7.7469 7.7469 7.8765 7.8765 9.9279 9.9279 10.0479 10.0479 10.2577 10.2577 11.1642 11.1642 11.2577 11.2577 11.4360 11.4360 13.5933 13.5933 13.6647 13.6647 14.1330 14.1330 k = 0.0682 0.0247 1.4676 ( 8730 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3473 0.3473 6.6883 6.6883 6.8114 6.8114 7.5984 7.5984 7.7048 7.7048 7.7447 7.7447 7.8750 7.8750 9.9290 9.9290 10.0525 10.0525 10.2514 10.2514 11.1677 11.1677 11.2556 11.2556 11.4344 11.4344 13.5952 13.5952 13.6628 13.6628 14.1344 14.1344 k = 0.0909 0.0329 1.4676 ( 8720 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3472 0.3472 6.6919 6.6919 6.8066 6.8066 7.6031 7.6031 7.7062 7.7062 7.7417 7.7417 7.8729 7.8729 9.9303 9.9303 10.0589 10.0589 10.2428 10.2428 11.1724 11.1724 11.2526 11.2526 11.4322 11.4322 13.5977 13.5977 13.6602 13.6602 14.1361 14.1361 k = 0.1136 0.0412 1.4676 ( 8720 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3472 0.3472 6.6962 6.6962 6.8008 6.8008 7.6086 7.6086 7.7076 7.7076 7.7383 7.7383 7.8705 7.8705 9.9317 9.9317 10.0670 10.0670 10.2323 10.2323 11.1782 11.1782 11.2489 11.2489 11.4298 11.4298 13.6009 13.6009 13.6570 13.6570 14.1380 14.1380 k = 0.1364 0.0494 1.4676 ( 8718 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2308 0.2308 0.3472 0.3472 6.7013 6.7013 6.7942 6.7942 7.6149 7.6149 7.7087 7.7087 7.7347 7.7347 7.8680 7.8680 9.9333 9.9333 10.0767 10.0767 10.2200 10.2200 11.1847 11.1847 11.2444 11.2444 11.4272 11.4272 13.6046 13.6046 13.6533 13.6533 14.1399 14.1399 k = 0.1591 0.0577 1.4676 ( 8706 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2309 0.2309 0.3472 0.3472 6.7069 6.7069 6.7872 6.7872 7.6214 7.6214 7.7091 7.7091 7.7314 7.7314 7.8654 7.8654 9.9348 9.9348 10.0878 10.0878 10.2065 10.2065 11.1919 11.1919 11.2392 11.2392 11.4248 11.4248 13.6087 13.6087 13.6491 13.6491 14.1417 14.1417 k = 0.1818 0.0659 1.4676 ( 8692 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2309 0.2309 0.3472 0.3472 6.7127 6.7127 6.7803 6.7803 7.6276 7.6276 7.7085 7.7085 7.7290 7.7290 7.8632 7.8632 9.9362 9.9362 10.1003 10.1003 10.1920 10.1920 11.1995 11.1995 11.2334 11.2334 11.4226 11.4226 13.6132 13.6132 13.6445 13.6445 14.1433 14.1433 k = 0.2045 0.0741 1.4676 ( 8688 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2309 0.2309 0.3472 0.3472 6.7180 6.7180 6.7740 6.7740 7.6331 7.6331 7.7068 7.7068 7.7277 7.7277 7.8613 7.8613 9.9373 9.9373 10.1137 10.1137 10.1769 10.1769 11.2072 11.2072 11.2269 11.2269 11.4209 11.4209 13.6179 13.6179 13.6398 13.6398 14.1445 14.1445 k = 0.2273 0.0824 1.4676 ( 8696 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2309 0.2309 0.3471 0.3471 6.7218 6.7218 6.7696 6.7696 7.6370 7.6370 7.7051 7.7051 7.7272 7.7272 7.8602 7.8602 9.9380 9.9380 10.1280 10.1280 10.1616 10.1616 11.2149 11.2149 11.2201 11.2201 11.4198 11.4198 13.6222 13.6222 13.6355 13.6355 14.1453 14.1453 k = 0.2500 0.0906 1.4676 ( 8692 PWs) bands (ev): -44.7759 -44.7759 -44.7758 -44.7758 -21.7402 -21.7402 -21.6055 -21.6055 -21.1004 -21.1004 -21.0409 -21.0409 -20.6235 -20.6235 -20.4721 -20.4721 0.2309 0.2309 0.3471 0.3471 6.7229 6.7229 6.7683 6.7683 7.6387 7.6387 7.7041 7.7041 7.7270 7.7270 7.8598 7.8598 9.9384 9.9384 10.1411 10.1411 10.1482 10.1482 11.2124 11.2124 11.2228 11.2228 11.4193 11.4193 13.6241 13.6241 13.6336 13.6336 14.1456 14.1456 Writing output data file ZrTiAs.save init_run : 0.19s CPU 0.33s WALL ( 1 calls) electrons : 1369.44s CPU 1375.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 1369.44s CPU 1375.83s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.13s WALL ( 350 calls) cegterg : 1320.21s CPU 1325.97s WALL ( 1255 calls) Called by sum_band: Called by *egterg: h_psi : 1118.74s CPU 1122.62s WALL ( 23721 calls) s_psi : 9.86s CPU 9.94s WALL ( 23721 calls) g_psi : 1.23s CPU 1.24s WALL ( 22116 calls) cdiaghg : 148.20s CPU 149.90s WALL ( 22466 calls) cegterg:over : 29.37s CPU 29.37s WALL ( 22116 calls) cegterg:upda : 31.60s CPU 31.98s WALL ( 22116 calls) cegterg:last : 13.16s CPU 12.94s WALL ( 3291 calls) cdiaghg:chol : 8.44s CPU 8.78s WALL ( 22466 calls) cdiaghg:inve : 5.63s CPU 5.57s WALL ( 22466 calls) cdiaghg:para : 8.91s CPU 8.83s WALL ( 44932 calls) Called by h_psi: h_psi:vloc : 1082.68s CPU 1086.34s WALL ( 23721 calls) h_psi:vnl : 34.70s CPU 34.94s WALL ( 23721 calls) add_vuspsi : 15.93s CPU 16.07s WALL ( 23721 calls) General routines calbec : 18.68s CPU 18.80s WALL ( 23721 calls) fft : 0.01s CPU 0.02s WALL ( 15 calls) fftw : 1024.05s CPU 1027.72s WALL ( 1903552 calls) davcio : 0.30s CPU 0.41s WALL ( 700 calls) Parallel routines fft_scatter : 202.10s CPU 202.38s WALL ( 1903567 calls) PWSCF : 23m15.28s CPU 23m44.32s WALL This run was terminated on: 14:12:10 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=