Program PWSCF v.5.1.1 starts on 13Dec2015 at 8: 3:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlPO4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 80 46 13 2574 1126 174 Max 81 47 14 2579 1151 177 Sum 3867 2249 651 123673 54573 8401 bravais-lattice index = 14 lattice parameter (alat) = 15.6864 a.u. unit-cell volume = 1255.3467 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.686426 celldm(2)= 0.611355 celldm(3)= 0.611982 celldm(4)= 0.494321 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.611355 0.000000 ) a(3) = ( 0.000000 0.302516 0.531983 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.635710 -0.930157 ) b(3) = ( 0.000000 0.000000 1.879759 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 266 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 2) = ( 0.0000000 0.0000000 0.0261078), wk = 0.0037594 k( 3) = ( 0.0000000 0.0000000 0.0522155), wk = 0.0037594 k( 4) = ( 0.0000000 0.0000000 0.0783233), wk = 0.0037594 k( 5) = ( 0.0000000 0.0000000 0.1044311), wk = 0.0037594 k( 6) = ( 0.0000000 0.0000000 0.1305388), wk = 0.0037594 k( 7) = ( 0.0000000 0.0000000 0.1566466), wk = 0.0037594 k( 8) = ( 0.0000000 0.0000000 0.1827543), wk = 0.0037594 k( 9) = ( 0.0000000 0.0000000 0.2088621), wk = 0.0037594 k( 10) = ( 0.0000000 0.0000000 0.2349698), wk = 0.0037594 k( 11) = ( 0.0000000 0.0000000 0.2610776), wk = 0.0037594 k( 12) = ( 0.0000000 0.0000000 0.2871854), wk = 0.0037594 k( 13) = ( 0.0000000 0.0000000 0.3132931), wk = 0.0037594 k( 14) = ( 0.0000000 0.0000000 0.3394009), wk = 0.0037594 k( 15) = ( 0.0000000 0.0000000 0.3655086), wk = 0.0037594 k( 16) = ( 0.0000000 0.0000000 0.3916164), wk = 0.0037594 k( 17) = ( 0.0000000 0.0000000 0.4177242), wk = 0.0037594 k( 18) = ( 0.0000000 0.0000000 0.4438319), wk = 0.0037594 k( 19) = ( 0.0000000 0.0000000 0.4699397), wk = 0.0037594 k( 20) = ( 0.0000000 0.0000000 0.4960475), wk = 0.0037594 k( 21) = ( 0.0000000 0.0000000 0.5221552), wk = 0.0037594 k( 22) = ( 0.0000000 0.0000000 0.5482630), wk = 0.0037594 k( 23) = ( 0.0000000 0.0000000 0.5743707), wk = 0.0037594 k( 24) = ( 0.0000000 0.0000000 0.6004785), wk = 0.0037594 k( 25) = ( 0.0000000 0.0000000 0.6265863), wk = 0.0037594 k( 26) = ( 0.0000000 0.0000000 0.6526940), wk = 0.0037594 k( 27) = ( 0.0000000 0.0000000 0.6788018), wk = 0.0037594 k( 28) = ( 0.0000000 0.0000000 0.7049095), wk = 0.0037594 k( 29) = ( 0.0000000 0.0000000 0.7310173), wk = 0.0037594 k( 30) = ( 0.0000000 0.0000000 0.7571251), wk = 0.0037594 k( 31) = ( 0.0000000 0.0000000 0.7832328), wk = 0.0037594 k( 32) = ( 0.0000000 0.0000000 0.8093406), wk = 0.0037594 k( 33) = ( 0.0000000 0.0000000 0.8354483), wk = 0.0037594 k( 34) = ( 0.0000000 0.0000000 0.8615561), wk = 0.0037594 k( 35) = ( 0.0000000 0.0000000 0.8876639), wk = 0.0037594 k( 36) = ( 0.0000000 0.0000000 0.9137716), wk = 0.0037594 k( 37) = ( 0.0000000 0.0000000 0.9398794), wk = 0.0037594 k( 38) = ( 0.0000000 0.0000000 0.9398794), wk = 0.0037594 k( 39) = ( 0.0000000 0.0260884 0.9398794), wk = 0.0037594 k( 40) = ( 0.0000000 0.0521768 0.9398794), wk = 0.0037594 k( 41) = ( 0.0000000 0.0782652 0.9398794), wk = 0.0037594 k( 42) = ( 0.0000000 0.1043536 0.9398794), wk = 0.0037594 k( 43) = ( 0.0000000 0.1304420 0.9398794), wk = 0.0037594 k( 44) = ( 0.0000000 0.1565304 0.9398794), wk = 0.0037594 k( 45) = ( 0.0000000 0.1826188 0.9398794), wk = 0.0037594 k( 46) = ( 0.0000000 0.2087072 0.9398794), wk = 0.0037594 k( 47) = ( 0.0000000 0.2347956 0.9398794), wk = 0.0037594 k( 48) = ( 0.0000000 0.2608839 0.9398794), wk = 0.0037594 k( 49) = ( 0.0000000 0.2869723 0.9398794), wk = 0.0037594 k( 50) = ( 0.0000000 0.3130607 0.9398794), wk = 0.0037594 k( 51) = ( 0.0000000 0.3391491 0.9398794), wk = 0.0037594 k( 52) = ( 0.0000000 0.3652375 0.9398794), wk = 0.0037594 k( 53) = ( 0.0000000 0.3913259 0.9398794), wk = 0.0037594 k( 54) = ( 0.0000000 0.4174143 0.9398794), wk = 0.0037594 k( 55) = ( 0.0000000 0.4435027 0.9398794), wk = 0.0037594 k( 56) = ( 0.0000000 0.4695911 0.9398794), wk = 0.0037594 k( 57) = ( 0.0000000 0.4956795 0.9398794), wk = 0.0037594 k( 58) = ( 0.0000000 0.5217679 0.9398794), wk = 0.0037594 k( 59) = ( 0.0000000 0.5478563 0.9398794), wk = 0.0037594 k( 60) = ( 0.0000000 0.5478563 0.9398794), wk = 0.0037594 k( 61) = ( 0.0000000 0.5607134 0.9177328), wk = 0.0037594 k( 62) = ( 0.0000000 0.5735704 0.8955862), wk = 0.0037594 k( 63) = ( 0.0000000 0.5864275 0.8734396), wk = 0.0037594 k( 64) = ( 0.0000000 0.5992846 0.8512930), wk = 0.0037594 k( 65) = ( 0.0000000 0.6121417 0.8291464), wk = 0.0037594 k( 66) = ( 0.0000000 0.6249987 0.8069998), wk = 0.0037594 k( 67) = ( 0.0000000 0.6378558 0.7848533), wk = 0.0037594 k( 68) = ( 0.0000000 0.6507129 0.7627067), wk = 0.0037594 k( 69) = ( 0.0000000 0.6635700 0.7405601), wk = 0.0037594 k( 70) = ( 0.0000000 0.6764271 0.7184135), wk = 0.0037594 k( 71) = ( 0.0000000 0.6892841 0.6962669), wk = 0.0037594 k( 72) = ( 0.0000000 0.7021412 0.6741203), wk = 0.0037594 k( 73) = ( 0.0000000 0.7149983 0.6519737), wk = 0.0037594 k( 74) = ( 0.0000000 0.7278554 0.6298271), wk = 0.0037594 k( 75) = ( 0.0000000 0.7407124 0.6076805), wk = 0.0037594 k( 76) = ( 0.0000000 0.7535695 0.5855340), wk = 0.0037594 k( 77) = ( 0.0000000 0.7664266 0.5633874), wk = 0.0037594 k( 78) = ( 0.0000000 0.7792837 0.5412408), wk = 0.0037594 k( 79) = ( 0.0000000 0.7921407 0.5190942), wk = 0.0037594 k( 80) = ( 0.0000000 0.8049978 0.4969476), wk = 0.0037594 k( 81) = ( 0.0000000 0.8178549 0.4748010), wk = 0.0037594 k( 82) = ( 0.0000000 0.8178549 0.4748010), wk = 0.0037594 k( 83) = ( 0.0263158 0.8178549 0.4748010), wk = 0.0037594 k( 84) = ( 0.0526316 0.8178549 0.4748010), wk = 0.0037594 k( 85) = ( 0.0789474 0.8178549 0.4748010), wk = 0.0037594 k( 86) = ( 0.1052632 0.8178549 0.4748010), wk = 0.0037594 k( 87) = ( 0.1315790 0.8178549 0.4748010), wk = 0.0037594 k( 88) = ( 0.1578947 0.8178549 0.4748010), wk = 0.0037594 k( 89) = ( 0.1842105 0.8178549 0.4748010), wk = 0.0037594 k( 90) = ( 0.2105263 0.8178549 0.4748010), wk = 0.0037594 k( 91) = ( 0.2368421 0.8178549 0.4748010), wk = 0.0037594 k( 92) = ( 0.2631579 0.8178549 0.4748010), wk = 0.0037594 k( 93) = ( 0.2894737 0.8178549 0.4748010), wk = 0.0037594 k( 94) = ( 0.3157895 0.8178549 0.4748010), wk = 0.0037594 k( 95) = ( 0.3421053 0.8178549 0.4748010), wk = 0.0037594 k( 96) = ( 0.3684211 0.8178549 0.4748010), wk = 0.0037594 k( 97) = ( 0.3947368 0.8178549 0.4748010), wk = 0.0037594 k( 98) = ( 0.4210526 0.8178549 0.4748010), wk = 0.0037594 k( 99) = ( 0.4473684 0.8178549 0.4748010), wk = 0.0037594 k( 100) = ( 0.4736842 0.8178549 0.4748010), wk = 0.0037594 k( 101) = ( 0.5000000 0.8178549 0.4748010), wk = 0.0037594 k( 102) = ( 0.5000000 0.8178549 0.4748010), wk = 0.0037594 k( 103) = ( 0.5000000 0.8307120 0.4526544), wk = 0.0037594 k( 104) = ( 0.5000000 0.8435691 0.4305078), wk = 0.0037594 k( 105) = ( 0.5000000 0.8564261 0.4083612), wk = 0.0037594 k( 106) = ( 0.5000000 0.8692832 0.3862146), wk = 0.0037594 k( 107) = ( 0.5000000 0.8821403 0.3640681), wk = 0.0037594 k( 108) = ( 0.5000000 0.8949974 0.3419215), wk = 0.0037594 k( 109) = ( 0.5000000 0.9078544 0.3197749), wk = 0.0037594 k( 110) = ( 0.5000000 0.9207115 0.2976283), wk = 0.0037594 k( 111) = ( 0.5000000 0.9335686 0.2754817), wk = 0.0037594 k( 112) = ( 0.5000000 0.9464257 0.2533351), wk = 0.0037594 k( 113) = ( 0.5000000 0.9592827 0.2311885), wk = 0.0037594 k( 114) = ( 0.5000000 0.9721398 0.2090419), wk = 0.0037594 k( 115) = ( 0.5000000 0.9849969 0.1868953), wk = 0.0037594 k( 116) = ( 0.5000000 0.9978540 0.1647488), wk = 0.0037594 k( 117) = ( 0.5000000 1.0107110 0.1426022), wk = 0.0037594 k( 118) = ( 0.5000000 1.0235681 0.1204556), wk = 0.0037594 k( 119) = ( 0.5000000 1.0364252 0.0983090), wk = 0.0037594 k( 120) = ( 0.5000000 1.0492823 0.0761624), wk = 0.0037594 k( 121) = ( 0.5000000 1.0621393 0.0540158), wk = 0.0037594 k( 122) = ( 0.5000000 1.0749964 0.0318692), wk = 0.0037594 k( 123) = ( 0.5000000 1.0878535 0.0097226), wk = 0.0037594 k( 124) = ( 0.5000000 1.0878535 0.0097226), wk = 0.0037594 k( 125) = ( 0.5000000 1.0749964 -0.0128869), wk = 0.0037594 k( 126) = ( 0.5000000 1.0621393 -0.0354965), wk = 0.0037594 k( 127) = ( 0.5000000 1.0492823 -0.0581061), wk = 0.0037594 k( 128) = ( 0.5000000 1.0364252 -0.0807157), wk = 0.0037594 k( 129) = ( 0.5000000 1.0235681 -0.1033252), wk = 0.0037594 k( 130) = ( 0.5000000 1.0107110 -0.1259348), wk = 0.0037594 k( 131) = ( 0.5000000 0.9978540 -0.1485444), wk = 0.0037594 k( 132) = ( 0.5000000 0.9849969 -0.1711539), wk = 0.0037594 k( 133) = ( 0.5000000 0.9721398 -0.1937635), wk = 0.0037594 k( 134) = ( 0.5000000 0.9592827 -0.2163731), wk = 0.0037594 k( 135) = ( 0.5000000 0.9464257 -0.2389827), wk = 0.0037594 k( 136) = ( 0.5000000 0.9335686 -0.2615922), wk = 0.0037594 k( 137) = ( 0.5000000 0.9207115 -0.2842018), wk = 0.0037594 k( 138) = ( 0.5000000 0.9078544 -0.3068114), wk = 0.0037594 k( 139) = ( 0.5000000 0.8949974 -0.3294209), wk = 0.0037594 k( 140) = ( 0.5000000 0.8821403 -0.3520305), wk = 0.0037594 k( 141) = ( 0.5000000 0.8692832 -0.3746401), wk = 0.0037594 k( 142) = ( 0.5000000 0.8564261 -0.3972497), wk = 0.0037594 k( 143) = ( 0.5000000 0.8435691 -0.4198592), wk = 0.0037594 k( 144) = ( 0.5000000 0.8307120 -0.4424688), wk = 0.0037594 k( 145) = ( 0.5000000 0.8178549 -0.4650784), wk = 0.0037594 k( 146) = ( 0.5000000 0.8178549 -0.4650784), wk = 0.0037594 k( 147) = ( 0.4736842 0.8178549 -0.4650784), wk = 0.0037594 k( 148) = ( 0.4473684 0.8178549 -0.4650784), wk = 0.0037594 k( 149) = ( 0.4210526 0.8178549 -0.4650784), wk = 0.0037594 k( 150) = ( 0.3947368 0.8178549 -0.4650784), wk = 0.0037594 k( 151) = ( 0.3684211 0.8178549 -0.4650784), wk = 0.0037594 k( 152) = ( 0.3421053 0.8178549 -0.4650784), wk = 0.0037594 k( 153) = ( 0.3157895 0.8178549 -0.4650784), wk = 0.0037594 k( 154) = ( 0.2894737 0.8178549 -0.4650784), wk = 0.0037594 k( 155) = ( 0.2631579 0.8178549 -0.4650784), wk = 0.0037594 k( 156) = ( 0.2368421 0.8178549 -0.4650784), wk = 0.0037594 k( 157) = ( 0.2105263 0.8178549 -0.4650784), wk = 0.0037594 k( 158) = ( 0.1842105 0.8178549 -0.4650784), wk = 0.0037594 k( 159) = ( 0.1578947 0.8178549 -0.4650784), wk = 0.0037594 k( 160) = ( 0.1315790 0.8178549 -0.4650784), wk = 0.0037594 k( 161) = ( 0.1052632 0.8178549 -0.4650784), wk = 0.0037594 k( 162) = ( 0.0789474 0.8178549 -0.4650784), wk = 0.0037594 k( 163) = ( 0.0526316 0.8178549 -0.4650784), wk = 0.0037594 k( 164) = ( 0.0263158 0.8178549 -0.4650784), wk = 0.0037594 k( 165) = ( 0.0000000 0.8178549 -0.4650784), wk = 0.0037594 k( 166) = ( 0.0000000 0.8178549 -0.4650784), wk = 0.0037594 k( 167) = ( 0.0000000 0.8307120 -0.4424688), wk = 0.0037594 k( 168) = ( 0.0000000 0.8435691 -0.4198592), wk = 0.0037594 k( 169) = ( 0.0000000 0.8564261 -0.3972497), wk = 0.0037594 k( 170) = ( 0.0000000 0.8692832 -0.3746401), wk = 0.0037594 k( 171) = ( 0.0000000 0.8821403 -0.3520305), wk = 0.0037594 k( 172) = ( 0.0000000 0.8949974 -0.3294209), wk = 0.0037594 k( 173) = ( 0.0000000 0.9078544 -0.3068114), wk = 0.0037594 k( 174) = ( 0.0000000 0.9207115 -0.2842018), wk = 0.0037594 k( 175) = ( 0.0000000 0.9335686 -0.2615922), wk = 0.0037594 k( 176) = ( 0.0000000 0.9464257 -0.2389827), wk = 0.0037594 k( 177) = ( 0.0000000 0.9592827 -0.2163731), wk = 0.0037594 k( 178) = ( 0.0000000 0.9721398 -0.1937635), wk = 0.0037594 k( 179) = ( 0.0000000 0.9849969 -0.1711539), wk = 0.0037594 k( 180) = ( 0.0000000 0.9978540 -0.1485444), wk = 0.0037594 k( 181) = ( 0.0000000 1.0107110 -0.1259348), wk = 0.0037594 k( 182) = ( 0.0000000 1.0235681 -0.1033252), wk = 0.0037594 k( 183) = ( 0.0000000 1.0364252 -0.0807157), wk = 0.0037594 k( 184) = ( 0.0000000 1.0492823 -0.0581061), wk = 0.0037594 k( 185) = ( 0.0000000 1.0621393 -0.0354965), wk = 0.0037594 k( 186) = ( 0.0000000 1.0749964 -0.0128869), wk = 0.0037594 k( 187) = ( 0.0000000 1.0878535 0.0097226), wk = 0.0037594 k( 188) = ( 0.5000000 0.5478563 0.9398794), wk = 0.0037594 k( 189) = ( 0.5000000 0.5217679 0.9398794), wk = 0.0037594 k( 190) = ( 0.5000000 0.4956795 0.9398794), wk = 0.0037594 k( 191) = ( 0.5000000 0.4695911 0.9398794), wk = 0.0037594 k( 192) = ( 0.5000000 0.4435027 0.9398794), wk = 0.0037594 k( 193) = ( 0.5000000 0.4174143 0.9398794), wk = 0.0037594 k( 194) = ( 0.5000000 0.3913259 0.9398794), wk = 0.0037594 k( 195) = ( 0.5000000 0.3652375 0.9398794), wk = 0.0037594 k( 196) = ( 0.5000000 0.3391491 0.9398794), wk = 0.0037594 k( 197) = ( 0.5000000 0.3130607 0.9398794), wk = 0.0037594 k( 198) = ( 0.5000000 0.2869723 0.9398794), wk = 0.0037594 k( 199) = ( 0.5000000 0.2608839 0.9398794), wk = 0.0037594 k( 200) = ( 0.5000000 0.2347956 0.9398794), wk = 0.0037594 k( 201) = ( 0.5000000 0.2087072 0.9398794), wk = 0.0037594 k( 202) = ( 0.5000000 0.1826188 0.9398794), wk = 0.0037594 k( 203) = ( 0.5000000 0.1565304 0.9398794), wk = 0.0037594 k( 204) = ( 0.5000000 0.1304420 0.9398794), wk = 0.0037594 k( 205) = ( 0.5000000 0.1043536 0.9398794), wk = 0.0037594 k( 206) = ( 0.5000000 0.0782652 0.9398794), wk = 0.0037594 k( 207) = ( 0.5000000 0.0521768 0.9398794), wk = 0.0037594 k( 208) = ( 0.5000000 0.0260884 0.9398794), wk = 0.0037594 k( 209) = ( 0.5000000 -0.0000000 0.9398794), wk = 0.0037594 k( 210) = ( 0.5000000 -0.0000000 0.9398794), wk = 0.0037594 k( 211) = ( 0.5000000 -0.0000000 0.9137716), wk = 0.0037594 k( 212) = ( 0.5000000 -0.0000000 0.8876639), wk = 0.0037594 k( 213) = ( 0.5000000 -0.0000000 0.8615561), wk = 0.0037594 k( 214) = ( 0.5000000 -0.0000000 0.8354483), wk = 0.0037594 k( 215) = ( 0.5000000 -0.0000000 0.8093406), wk = 0.0037594 k( 216) = ( 0.5000000 -0.0000000 0.7832328), wk = 0.0037594 k( 217) = ( 0.5000000 -0.0000000 0.7571251), wk = 0.0037594 k( 218) = ( 0.5000000 -0.0000000 0.7310173), wk = 0.0037594 k( 219) = ( 0.5000000 -0.0000000 0.7049095), wk = 0.0037594 k( 220) = ( 0.5000000 -0.0000000 0.6788018), wk = 0.0037594 k( 221) = ( 0.5000000 -0.0000000 0.6526940), wk = 0.0037594 k( 222) = ( 0.5000000 -0.0000000 0.6265863), wk = 0.0037594 k( 223) = ( 0.5000000 -0.0000000 0.6004785), wk = 0.0037594 k( 224) = ( 0.5000000 -0.0000000 0.5743707), wk = 0.0037594 k( 225) = ( 0.5000000 -0.0000000 0.5482630), wk = 0.0037594 k( 226) = ( 0.5000000 -0.0000000 0.5221552), wk = 0.0037594 k( 227) = ( 0.5000000 -0.0000000 0.4960475), wk = 0.0037594 k( 228) = ( 0.5000000 -0.0000000 0.4699397), wk = 0.0037594 k( 229) = ( 0.5000000 -0.0000000 0.4438319), wk = 0.0037594 k( 230) = ( 0.5000000 -0.0000000 0.4177242), wk = 0.0037594 k( 231) = ( 0.5000000 -0.0000000 0.3916164), wk = 0.0037594 k( 232) = ( 0.5000000 -0.0000000 0.3655086), wk = 0.0037594 k( 233) = ( 0.5000000 -0.0000000 0.3394009), wk = 0.0037594 k( 234) = ( 0.5000000 -0.0000000 0.3132931), wk = 0.0037594 k( 235) = ( 0.5000000 -0.0000000 0.2871854), wk = 0.0037594 k( 236) = ( 0.5000000 -0.0000000 0.2610776), wk = 0.0037594 k( 237) = ( 0.5000000 -0.0000000 0.2349698), wk = 0.0037594 k( 238) = ( 0.5000000 -0.0000000 0.2088621), wk = 0.0037594 k( 239) = ( 0.5000000 -0.0000000 0.1827543), wk = 0.0037594 k( 240) = ( 0.5000000 -0.0000000 0.1566466), wk = 0.0037594 k( 241) = ( 0.5000000 -0.0000000 0.1305388), wk = 0.0037594 k( 242) = ( 0.5000000 -0.0000000 0.1044311), wk = 0.0037594 k( 243) = ( 0.5000000 -0.0000000 0.0783233), wk = 0.0037594 k( 244) = ( 0.5000000 -0.0000000 0.0522155), wk = 0.0037594 k( 245) = ( 0.5000000 -0.0000000 0.0261078), wk = 0.0037594 k( 246) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037594 k( 247) = ( 0.0000000 0.0000000 0.9398794), wk = 0.0037594 k( 248) = ( 0.0263158 -0.0000000 0.9398794), wk = 0.0037594 k( 249) = ( 0.0526316 -0.0000000 0.9398794), wk = 0.0037594 k( 250) = ( 0.0789474 -0.0000000 0.9398794), wk = 0.0037594 k( 251) = ( 0.1052632 -0.0000000 0.9398794), wk = 0.0037594 k( 252) = ( 0.1315790 -0.0000000 0.9398794), wk = 0.0037594 k( 253) = ( 0.1578947 -0.0000000 0.9398794), wk = 0.0037594 k( 254) = ( 0.1842105 -0.0000000 0.9398794), wk = 0.0037594 k( 255) = ( 0.2105263 -0.0000000 0.9398794), wk = 0.0037594 k( 256) = ( 0.2368421 -0.0000000 0.9398794), wk = 0.0037594 k( 257) = ( 0.2631579 -0.0000000 0.9398794), wk = 0.0037594 k( 258) = ( 0.2894737 -0.0000000 0.9398794), wk = 0.0037594 k( 259) = ( 0.3157895 -0.0000000 0.9398794), wk = 0.0037594 k( 260) = ( 0.3421053 -0.0000000 0.9398794), wk = 0.0037594 k( 261) = ( 0.3684211 -0.0000000 0.9398794), wk = 0.0037594 k( 262) = ( 0.3947368 -0.0000000 0.9398794), wk = 0.0037594 k( 263) = ( 0.4210526 -0.0000000 0.9398794), wk = 0.0037594 k( 264) = ( 0.4473684 -0.0000000 0.9398794), wk = 0.0037594 k( 265) = ( 0.4736842 -0.0000000 0.9398794), wk = 0.0037594 k( 266) = ( 0.5000000 -0.0000000 0.9398794), wk = 0.0037594 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0037594 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0037594 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0037594 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0037594 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0037594 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0037594 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0037594 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0037594 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0037594 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0037594 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0037594 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037594 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0037594 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0037594 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0037594 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0037594 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0037594 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037594 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0037594 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0037594 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0037594 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0037594 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0037594 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037594 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0037594 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0037594 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0037594 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0037594 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0037594 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0037594 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0037594 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0037594 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0037594 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0037594 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0037594 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 39) = ( 0.0000000 0.0159493 0.5078922), wk = 0.0037594 k( 40) = ( 0.0000000 0.0318986 0.5157843), wk = 0.0037594 k( 41) = ( 0.0000000 0.0478478 0.5236764), wk = 0.0037594 k( 42) = ( 0.0000000 0.0637971 0.5315686), wk = 0.0037594 k( 43) = ( 0.0000000 0.0797464 0.5394607), wk = 0.0037594 k( 44) = ( 0.0000000 0.0956957 0.5473529), wk = 0.0037594 k( 45) = ( 0.0000000 0.1116450 0.5552450), wk = 0.0037594 k( 46) = ( 0.0000000 0.1275942 0.5631372), wk = 0.0037594 k( 47) = ( 0.0000000 0.1435435 0.5710293), wk = 0.0037594 k( 48) = ( 0.0000000 0.1594928 0.5789215), wk = 0.0037594 k( 49) = ( 0.0000000 0.1754421 0.5868136), wk = 0.0037594 k( 50) = ( 0.0000000 0.1913914 0.5947058), wk = 0.0037594 k( 51) = ( 0.0000000 0.2073406 0.6025979), wk = 0.0037594 k( 52) = ( 0.0000000 0.2232899 0.6104901), wk = 0.0037594 k( 53) = ( 0.0000000 0.2392392 0.6183822), wk = 0.0037594 k( 54) = ( 0.0000000 0.2551885 0.6262743), wk = 0.0037594 k( 55) = ( 0.0000000 0.2711378 0.6341665), wk = 0.0037594 k( 56) = ( 0.0000000 0.2870871 0.6420586), wk = 0.0037594 k( 57) = ( 0.0000000 0.3030363 0.6499508), wk = 0.0037594 k( 58) = ( 0.0000000 0.3189856 0.6578429), wk = 0.0037594 k( 59) = ( 0.0000000 0.3349349 0.6657351), wk = 0.0037594 k( 60) = ( 0.0000000 0.3349349 0.6657351), wk = 0.0037594 k( 61) = ( 0.0000000 0.3427951 0.6578429), wk = 0.0037594 k( 62) = ( 0.0000000 0.3506554 0.6499508), wk = 0.0037594 k( 63) = ( 0.0000000 0.3585156 0.6420586), wk = 0.0037594 k( 64) = ( 0.0000000 0.3663759 0.6341665), wk = 0.0037594 k( 65) = ( 0.0000000 0.3742361 0.6262743), wk = 0.0037594 k( 66) = ( 0.0000000 0.3820963 0.6183822), wk = 0.0037594 k( 67) = ( 0.0000000 0.3899566 0.6104901), wk = 0.0037594 k( 68) = ( 0.0000000 0.3978168 0.6025979), wk = 0.0037594 k( 69) = ( 0.0000000 0.4056771 0.5947058), wk = 0.0037594 k( 70) = ( 0.0000000 0.4135373 0.5868136), wk = 0.0037594 k( 71) = ( 0.0000000 0.4213976 0.5789215), wk = 0.0037594 k( 72) = ( 0.0000000 0.4292578 0.5710293), wk = 0.0037594 k( 73) = ( 0.0000000 0.4371180 0.5631372), wk = 0.0037594 k( 74) = ( 0.0000000 0.4449783 0.5552450), wk = 0.0037594 k( 75) = ( 0.0000000 0.4528385 0.5473529), wk = 0.0037594 k( 76) = ( 0.0000000 0.4606988 0.5394607), wk = 0.0037594 k( 77) = ( 0.0000000 0.4685590 0.5315686), wk = 0.0037594 k( 78) = ( 0.0000000 0.4764193 0.5236764), wk = 0.0037594 k( 79) = ( 0.0000000 0.4842795 0.5157843), wk = 0.0037594 k( 80) = ( 0.0000000 0.4921398 0.5078921), wk = 0.0037594 k( 81) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037594 k( 82) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037594 k( 83) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0037594 k( 84) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0037594 k( 85) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0037594 k( 86) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0037594 k( 87) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0037594 k( 88) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0037594 k( 89) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0037594 k( 90) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0037594 k( 91) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0037594 k( 92) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0037594 k( 93) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0037594 k( 94) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0037594 k( 95) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0037594 k( 96) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0037594 k( 97) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0037594 k( 98) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0037594 k( 99) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0037594 k( 100) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0037594 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037594 k( 102) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037594 k( 103) = ( 0.5000000 0.5078602 0.4921079), wk = 0.0037594 k( 104) = ( 0.5000000 0.5157205 0.4842157), wk = 0.0037594 k( 105) = ( 0.5000000 0.5235807 0.4763236), wk = 0.0037594 k( 106) = ( 0.5000000 0.5314410 0.4684314), wk = 0.0037594 k( 107) = ( 0.5000000 0.5393012 0.4605393), wk = 0.0037594 k( 108) = ( 0.5000000 0.5471615 0.4526471), wk = 0.0037594 k( 109) = ( 0.5000000 0.5550217 0.4447550), wk = 0.0037594 k( 110) = ( 0.5000000 0.5628819 0.4368628), wk = 0.0037594 k( 111) = ( 0.5000000 0.5707422 0.4289707), wk = 0.0037594 k( 112) = ( 0.5000000 0.5786024 0.4210785), wk = 0.0037594 k( 113) = ( 0.5000000 0.5864627 0.4131864), wk = 0.0037594 k( 114) = ( 0.5000000 0.5943229 0.4052942), wk = 0.0037594 k( 115) = ( 0.5000000 0.6021832 0.3974021), wk = 0.0037594 k( 116) = ( 0.5000000 0.6100434 0.3895100), wk = 0.0037594 k( 117) = ( 0.5000000 0.6179037 0.3816178), wk = 0.0037594 k( 118) = ( 0.5000000 0.6257639 0.3737257), wk = 0.0037594 k( 119) = ( 0.5000000 0.6336241 0.3658335), wk = 0.0037594 k( 120) = ( 0.5000000 0.6414844 0.3579414), wk = 0.0037594 k( 121) = ( 0.5000000 0.6493446 0.3500492), wk = 0.0037594 k( 122) = ( 0.5000000 0.6572049 0.3421571), wk = 0.0037594 k( 123) = ( 0.5000000 0.6650651 0.3342649), wk = 0.0037594 k( 124) = ( 0.5000000 0.6650651 0.3342649), wk = 0.0037594 k( 125) = ( 0.5000000 0.6572049 0.3183475), wk = 0.0037594 k( 126) = ( 0.5000000 0.6493446 0.3024302), wk = 0.0037594 k( 127) = ( 0.5000000 0.6414844 0.2865128), wk = 0.0037594 k( 128) = ( 0.5000000 0.6336241 0.2705954), wk = 0.0037594 k( 129) = ( 0.5000000 0.6257639 0.2546780), wk = 0.0037594 k( 130) = ( 0.5000000 0.6179037 0.2387607), wk = 0.0037594 k( 131) = ( 0.5000000 0.6100434 0.2228433), wk = 0.0037594 k( 132) = ( 0.5000000 0.6021832 0.2069259), wk = 0.0037594 k( 133) = ( 0.5000000 0.5943229 0.1910085), wk = 0.0037594 k( 134) = ( 0.5000000 0.5864627 0.1750912), wk = 0.0037594 k( 135) = ( 0.5000000 0.5786024 0.1591738), wk = 0.0037594 k( 136) = ( 0.5000000 0.5707422 0.1432564), wk = 0.0037594 k( 137) = ( 0.5000000 0.5628819 0.1273390), wk = 0.0037594 k( 138) = ( 0.5000000 0.5550217 0.1114216), wk = 0.0037594 k( 139) = ( 0.5000000 0.5471615 0.0955043), wk = 0.0037594 k( 140) = ( 0.5000000 0.5393012 0.0795869), wk = 0.0037594 k( 141) = ( 0.5000000 0.5314410 0.0636695), wk = 0.0037594 k( 142) = ( 0.5000000 0.5235807 0.0477521), wk = 0.0037594 k( 143) = ( 0.5000000 0.5157205 0.0318348), wk = 0.0037594 k( 144) = ( 0.5000000 0.5078602 0.0159174), wk = 0.0037594 k( 145) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037594 k( 146) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037594 k( 147) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0037594 k( 148) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0037594 k( 149) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0037594 k( 150) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0037594 k( 151) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0037594 k( 152) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0037594 k( 153) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0037594 k( 154) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0037594 k( 155) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0037594 k( 156) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0037594 k( 157) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0037594 k( 158) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0037594 k( 159) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0037594 k( 160) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0037594 k( 161) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0037594 k( 162) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0037594 k( 163) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0037594 k( 164) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0037594 k( 165) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037594 k( 166) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037594 k( 167) = ( 0.0000000 0.5078602 0.0159174), wk = 0.0037594 k( 168) = ( 0.0000000 0.5157205 0.0318348), wk = 0.0037594 k( 169) = ( 0.0000000 0.5235807 0.0477521), wk = 0.0037594 k( 170) = ( 0.0000000 0.5314410 0.0636695), wk = 0.0037594 k( 171) = ( 0.0000000 0.5393012 0.0795869), wk = 0.0037594 k( 172) = ( 0.0000000 0.5471615 0.0955043), wk = 0.0037594 k( 173) = ( 0.0000000 0.5550217 0.1114216), wk = 0.0037594 k( 174) = ( 0.0000000 0.5628819 0.1273390), wk = 0.0037594 k( 175) = ( 0.0000000 0.5707422 0.1432564), wk = 0.0037594 k( 176) = ( 0.0000000 0.5786024 0.1591738), wk = 0.0037594 k( 177) = ( 0.0000000 0.5864627 0.1750912), wk = 0.0037594 k( 178) = ( 0.0000000 0.5943229 0.1910085), wk = 0.0037594 k( 179) = ( 0.0000000 0.6021832 0.2069259), wk = 0.0037594 k( 180) = ( 0.0000000 0.6100434 0.2228433), wk = 0.0037594 k( 181) = ( 0.0000000 0.6179037 0.2387607), wk = 0.0037594 k( 182) = ( 0.0000000 0.6257639 0.2546780), wk = 0.0037594 k( 183) = ( 0.0000000 0.6336241 0.2705954), wk = 0.0037594 k( 184) = ( 0.0000000 0.6414844 0.2865128), wk = 0.0037594 k( 185) = ( 0.0000000 0.6493446 0.3024302), wk = 0.0037594 k( 186) = ( 0.0000000 0.6572049 0.3183475), wk = 0.0037594 k( 187) = ( 0.0000000 0.6650651 0.3342649), wk = 0.0037594 k( 188) = ( 0.5000000 0.3349349 0.6657351), wk = 0.0037594 k( 189) = ( 0.5000000 0.3189856 0.6578429), wk = 0.0037594 k( 190) = ( 0.5000000 0.3030363 0.6499508), wk = 0.0037594 k( 191) = ( 0.5000000 0.2870871 0.6420586), wk = 0.0037594 k( 192) = ( 0.5000000 0.2711378 0.6341665), wk = 0.0037594 k( 193) = ( 0.5000000 0.2551885 0.6262743), wk = 0.0037594 k( 194) = ( 0.5000000 0.2392392 0.6183822), wk = 0.0037594 k( 195) = ( 0.5000000 0.2232899 0.6104901), wk = 0.0037594 k( 196) = ( 0.5000000 0.2073406 0.6025979), wk = 0.0037594 k( 197) = ( 0.5000000 0.1913914 0.5947058), wk = 0.0037594 k( 198) = ( 0.5000000 0.1754421 0.5868136), wk = 0.0037594 k( 199) = ( 0.5000000 0.1594928 0.5789215), wk = 0.0037594 k( 200) = ( 0.5000000 0.1435435 0.5710293), wk = 0.0037594 k( 201) = ( 0.5000000 0.1275942 0.5631372), wk = 0.0037594 k( 202) = ( 0.5000000 0.1116450 0.5552450), wk = 0.0037594 k( 203) = ( 0.5000000 0.0956957 0.5473529), wk = 0.0037594 k( 204) = ( 0.5000000 0.0797464 0.5394607), wk = 0.0037594 k( 205) = ( 0.5000000 0.0637971 0.5315686), wk = 0.0037594 k( 206) = ( 0.5000000 0.0478478 0.5236764), wk = 0.0037594 k( 207) = ( 0.5000000 0.0318986 0.5157843), wk = 0.0037594 k( 208) = ( 0.5000000 0.0159493 0.5078922), wk = 0.0037594 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037594 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037594 k( 211) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0037594 k( 212) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0037594 k( 213) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0037594 k( 214) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0037594 k( 215) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0037594 k( 216) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0037594 k( 217) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0037594 k( 218) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0037594 k( 219) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0037594 k( 220) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0037594 k( 221) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0037594 k( 222) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0037594 k( 223) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0037594 k( 224) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0037594 k( 225) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0037594 k( 226) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0037594 k( 227) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0037594 k( 228) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0037594 k( 229) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0037594 k( 230) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0037594 k( 231) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0037594 k( 232) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0037594 k( 233) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0037594 k( 234) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0037594 k( 235) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0037594 k( 236) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0037594 k( 237) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0037594 k( 238) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0037594 k( 239) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0037594 k( 240) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0037594 k( 241) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0037594 k( 242) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0037594 k( 243) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0037594 k( 244) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0037594 k( 245) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0037594 k( 246) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037594 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 248) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0037594 k( 249) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0037594 k( 250) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0037594 k( 251) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0037594 k( 252) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0037594 k( 253) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0037594 k( 254) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0037594 k( 255) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0037594 k( 256) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0037594 k( 257) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0037594 k( 258) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0037594 k( 259) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0037594 k( 260) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0037594 k( 261) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0037594 k( 262) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0037594 k( 263) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0037594 k( 264) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0037594 k( 265) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0037594 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037594 Dense grid: 123673 G-vectors FFT dimensions: ( 90, 60, 60) Smooth grid: 54573 G-vectors FFT dimensions: ( 72, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 292, 76) NL pseudopotentials 0.55 Mb ( 146, 248) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.02 Mb ( 2575) G-vector shells 0.02 Mb ( 2540) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.35 Mb ( 292, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.58 Mb ( 248, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlPO4.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.7 secs Computing kpt #: 2 total cpu time spent up to now is 56.6 secs Computing kpt #: 3 total cpu time spent up to now is 63.4 secs Computing kpt #: 4 total cpu time spent up to now is 70.1 secs Computing kpt #: 5 total cpu time spent up to now is 76.7 secs Computing kpt #: 6 total cpu time spent up to now is 83.9 secs Computing kpt #: 7 total cpu time spent up to now is 90.9 secs Computing kpt #: 8 total cpu time spent up to now is 97.7 secs Computing kpt #: 9 total cpu time spent up to now is 104.7 secs Computing kpt #: 10 total cpu time spent up to now is 111.5 secs Computing kpt #: 11 total cpu time spent up to now is 118.4 secs Computing kpt #: 12 total cpu time spent up to now is 125.4 secs Computing kpt #: 13 total cpu time spent up to now is 134.0 secs Computing kpt #: 14 total cpu time spent up to now is 143.5 secs Computing kpt #: 15 total cpu time spent up to now is 152.9 secs Computing kpt #: 16 total cpu time spent up to now is 162.2 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.9 secs Computing kpt #: 18 total cpu time spent up to now is 182.1 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.7 secs Computing kpt #: 20 total cpu time spent up to now is 202.9 secs Computing kpt #: 21 total cpu time spent up to now is 213.4 secs Computing kpt #: 22 total cpu time spent up to now is 223.4 secs Computing kpt #: 23 total cpu time spent up to now is 232.7 secs Computing kpt #: 24 total cpu time spent up to now is 242.3 secs Computing kpt #: 25 total cpu time spent up to now is 250.3 secs Computing kpt #: 26 total cpu time spent up to now is 258.0 secs Computing kpt #: 27 total cpu time spent up to now is 265.6 secs Computing kpt #: 28 total cpu time spent up to now is 272.7 secs Computing kpt #: 29 total cpu time spent up to now is 280.3 secs Computing kpt #: 30 total cpu time spent up to now is 287.4 secs Computing kpt #: 31 total cpu time spent up to now is 294.2 secs Computing kpt #: 32 total cpu time spent up to now is 300.9 secs Computing kpt #: 33 total cpu time spent up to now is 307.8 secs Computing kpt #: 34 total cpu time spent up to now is 314.3 secs Computing kpt #: 35 total cpu time spent up to now is 320.9 secs Computing kpt #: 36 total cpu time spent up to now is 327.3 secs Computing kpt #: 37 total cpu time spent up to now is 333.8 secs Computing kpt #: 38 total cpu time spent up to now is 341.2 secs Computing kpt #: 39 total cpu time spent up to now is 347.7 secs Computing kpt #: 40 total cpu time spent up to now is 353.8 secs Computing kpt #: 41 total cpu time spent up to now is 360.4 secs Computing kpt #: 42 total cpu time spent up to now is 366.9 secs Computing kpt #: 43 total cpu time spent up to now is 373.0 secs Computing kpt #: 44 total cpu time spent up to now is 379.5 secs Computing kpt #: 45 total cpu time spent up to now is 386.2 secs Computing kpt #: 46 total cpu time spent up to now is 393.6 secs Computing kpt #: 47 total cpu time spent up to now is 401.5 secs Computing kpt #: 48 total cpu time spent up to now is 409.9 secs Computing kpt #: 49 total cpu time spent up to now is 417.7 secs Computing kpt #: 50 total cpu time spent up to now is 426.8 secs Computing kpt #: 51 total cpu time spent up to now is 436.5 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.4 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 458.2 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.1 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.3 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.7 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 502.8 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.8 secs Computing kpt #: 59 total cpu time spent up to now is 521.7 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 532.6 secs Computing kpt #: 61 total cpu time spent up to now is 540.0 secs Computing kpt #: 62 total cpu time spent up to now is 547.2 secs Computing kpt #: 63 total cpu time spent up to now is 554.1 secs Computing kpt #: 64 total cpu time spent up to now is 560.7 secs Computing kpt #: 65 total cpu time spent up to now is 568.0 secs Computing kpt #: 66 total cpu time spent up to now is 575.8 secs Computing kpt #: 67 total cpu time spent up to now is 583.3 secs Computing kpt #: 68 total cpu time spent up to now is 591.0 secs Computing kpt #: 69 total cpu time spent up to now is 598.1 secs Computing kpt #: 70 total cpu time spent up to now is 605.3 secs Computing kpt #: 71 total cpu time spent up to now is 612.5 secs Computing kpt #: 72 total cpu time spent up to now is 619.5 secs Computing kpt #: 73 total cpu time spent up to now is 626.7 secs Computing kpt #: 74 total cpu time spent up to now is 633.9 secs Computing kpt #: 75 total cpu time spent up to now is 641.9 secs Computing kpt #: 76 total cpu time spent up to now is 649.6 secs Computing kpt #: 77 total cpu time spent up to now is 656.6 secs Computing kpt #: 78 total cpu time spent up to now is 663.8 secs Computing kpt #: 79 total cpu time spent up to now is 670.7 secs Computing kpt #: 80 total cpu time spent up to now is 677.8 secs Computing kpt #: 81 total cpu time spent up to now is 684.5 secs Computing kpt #: 82 total cpu time spent up to now is 691.3 secs Computing kpt #: 83 total cpu time spent up to now is 698.3 secs Computing kpt #: 84 total cpu time spent up to now is 705.4 secs Computing kpt #: 85 total cpu time spent up to now is 713.0 secs Computing kpt #: 86 total cpu time spent up to now is 720.1 secs Computing kpt #: 87 total cpu time spent up to now is 727.4 secs Computing kpt #: 88 total cpu time spent up to now is 734.7 secs Computing kpt #: 89 total cpu time spent up to now is 741.8 secs Computing kpt #: 90 total cpu time spent up to now is 748.7 secs Computing kpt #: 91 total cpu time spent up to now is 755.9 secs Computing kpt #: 92 total cpu time spent up to now is 762.9 secs Computing kpt #: 93 total cpu time spent up to now is 770.0 secs Computing kpt #: 94 total cpu time spent up to now is 777.1 secs Computing kpt #: 95 total cpu time spent up to now is 783.6 secs Computing kpt #: 96 total cpu time spent up to now is 790.3 secs Computing kpt #: 97 total cpu time spent up to now is 797.0 secs Computing kpt #: 98 total cpu time spent up to now is 803.5 secs Computing kpt #: 99 total cpu time spent up to now is 809.6 secs Computing kpt #: 100 total cpu time spent up to now is 815.8 secs Computing kpt #: 101 total cpu time spent up to now is 821.7 secs Computing kpt #: 102 total cpu time spent up to now is 827.7 secs Computing kpt #: 103 total cpu time spent up to now is 833.7 secs Computing kpt #: 104 total cpu time spent up to now is 839.8 secs Computing kpt #: 105 total cpu time spent up to now is 845.9 secs Computing kpt #: 106 total cpu time spent up to now is 852.2 secs Computing kpt #: 107 total cpu time spent up to now is 858.6 secs Computing kpt #: 108 total cpu time spent up to now is 865.0 secs Computing kpt #: 109 total cpu time spent up to now is 871.1 secs Computing kpt #: 110 total cpu time spent up to now is 877.4 secs Computing kpt #: 111 total cpu time spent up to now is 883.8 secs Computing kpt #: 112 total cpu time spent up to now is 890.2 secs Computing kpt #: 113 total cpu time spent up to now is 896.5 secs Computing kpt #: 114 total cpu time spent up to now is 902.5 secs Computing kpt #: 115 total cpu time spent up to now is 908.5 secs Computing kpt #: 116 total cpu time spent up to now is 914.4 secs Computing kpt #: 117 total cpu time spent up to now is 920.2 secs Computing kpt #: 118 total cpu time spent up to now is 926.4 secs Computing kpt #: 119 total cpu time spent up to now is 932.1 secs Computing kpt #: 120 total cpu time spent up to now is 939.2 secs Computing kpt #: 121 total cpu time spent up to now is 945.7 secs Computing kpt #: 122 total cpu time spent up to now is 951.3 secs Computing kpt #: 123 total cpu time spent up to now is 956.8 secs Computing kpt #: 124 total cpu time spent up to now is 962.3 secs Computing kpt #: 125 total cpu time spent up to now is 968.1 secs Computing kpt #: 126 total cpu time spent up to now is 973.7 secs Computing kpt #: 127 total cpu time spent up to now is 979.4 secs Computing kpt #: 128 total cpu time spent up to now is 985.2 secs Computing kpt #: 129 total cpu time spent up to now is 991.0 secs Computing kpt #: 130 total cpu time spent up to now is 997.0 secs Computing kpt #: 131 total cpu time spent up to now is 1003.3 secs Computing kpt #: 132 total cpu time spent up to now is 1009.7 secs Computing kpt #: 133 total cpu time spent up to now is 1016.1 secs Computing kpt #: 134 total cpu time spent up to now is 1022.5 secs Computing kpt #: 135 total cpu time spent up to now is 1028.9 secs Computing kpt #: 136 total cpu time spent up to now is 1035.1 secs Computing kpt #: 137 total cpu time spent up to now is 1041.5 secs Computing kpt #: 138 total cpu time spent up to now is 1047.8 secs Computing kpt #: 139 total cpu time spent up to now is 1054.2 secs Computing kpt #: 140 total cpu time spent up to now is 1060.7 secs Computing kpt #: 141 total cpu time spent up to now is 1067.0 secs Computing kpt #: 142 total cpu time spent up to now is 1073.2 secs Computing kpt #: 143 total cpu time spent up to now is 1079.5 secs Computing kpt #: 144 total cpu time spent up to now is 1085.9 secs Computing kpt #: 145 total cpu time spent up to now is 1092.1 secs Computing kpt #: 146 total cpu time spent up to now is 1098.7 secs Computing kpt #: 147 total cpu time spent up to now is 1105.0 secs Computing kpt #: 148 total cpu time spent up to now is 1111.4 secs Computing kpt #: 149 total cpu time spent up to now is 1117.8 secs Computing kpt #: 150 total cpu time spent up to now is 1124.2 secs Computing kpt #: 151 total cpu time spent up to now is 1130.6 secs Computing kpt #: 152 total cpu time spent up to now is 1137.2 secs Computing kpt #: 153 total cpu time spent up to now is 1143.8 secs Computing kpt #: 154 total cpu time spent up to now is 1150.5 secs Computing kpt #: 155 total cpu time spent up to now is 1157.0 secs Computing kpt #: 156 total cpu time spent up to now is 1163.7 secs Computing kpt #: 157 total cpu time spent up to now is 1170.5 secs Computing kpt #: 158 total cpu time spent up to now is 1177.1 secs Computing kpt #: 159 total cpu time spent up to now is 1183.7 secs Computing kpt #: 160 total cpu time spent up to now is 1190.2 secs Computing kpt #: 161 total cpu time spent up to now is 1196.7 secs Computing kpt #: 162 total cpu time spent up to now is 1208.5 secs Computing kpt #: 163 total cpu time spent up to now is 1221.9 secs Computing kpt #: 164 total cpu time spent up to now is 1228.5 secs Computing kpt #: 165 total cpu time spent up to now is 1234.7 secs Computing kpt #: 166 total cpu time spent up to now is 1243.1 secs Computing kpt #: 167 total cpu time spent up to now is 1249.6 secs Computing kpt #: 168 total cpu time spent up to now is 1256.2 secs Computing kpt #: 169 total cpu time spent up to now is 1262.7 secs Computing kpt #: 170 total cpu time spent up to now is 1269.3 secs Computing kpt #: 171 total cpu time spent up to now is 1276.0 secs Computing kpt #: 172 total cpu time spent up to now is 1282.6 secs Computing kpt #: 173 total cpu time spent up to now is 1289.3 secs Computing kpt #: 174 total cpu time spent up to now is 1296.5 secs Computing kpt #: 175 total cpu time spent up to now is 1304.3 secs Computing kpt #: 176 total cpu time spent up to now is 1313.2 secs Computing kpt #: 177 total cpu time spent up to now is 1321.7 secs Computing kpt #: 178 total cpu time spent up to now is 1331.8 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1342.8 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1353.9 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1364.9 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1376.0 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1387.2 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1398.3 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1409.3 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1420.0 secs Computing kpt #: 187 total cpu time spent up to now is 1430.2 secs Computing kpt #: 188 total cpu time spent up to now is 1435.8 secs Computing kpt #: 189 total cpu time spent up to now is 1441.4 secs Computing kpt #: 190 total cpu time spent up to now is 1446.9 secs Computing kpt #: 191 total cpu time spent up to now is 1452.5 secs Computing kpt #: 192 total cpu time spent up to now is 1458.2 secs Computing kpt #: 193 total cpu time spent up to now is 1464.3 secs Computing kpt #: 194 total cpu time spent up to now is 1470.3 secs Computing kpt #: 195 total cpu time spent up to now is 1476.7 secs Computing kpt #: 196 total cpu time spent up to now is 1483.1 secs Computing kpt #: 197 total cpu time spent up to now is 1489.5 secs Computing kpt #: 198 total cpu time spent up to now is 1495.8 secs Computing kpt #: 199 total cpu time spent up to now is 1502.2 secs Computing kpt #: 200 total cpu time spent up to now is 1508.8 secs Computing kpt #: 201 total cpu time spent up to now is 1515.1 secs Computing kpt #: 202 total cpu time spent up to now is 1521.6 secs Computing kpt #: 203 total cpu time spent up to now is 1528.1 secs Computing kpt #: 204 total cpu time spent up to now is 1534.7 secs Computing kpt #: 205 total cpu time spent up to now is 1543.1 secs Computing kpt #: 206 total cpu time spent up to now is 1549.7 secs Computing kpt #: 207 total cpu time spent up to now is 1556.3 secs Computing kpt #: 208 total cpu time spent up to now is 1562.6 secs Computing kpt #: 209 total cpu time spent up to now is 1569.3 secs Computing kpt #: 210 total cpu time spent up to now is 1575.6 secs Computing kpt #: 211 total cpu time spent up to now is 1581.9 secs Computing kpt #: 212 total cpu time spent up to now is 1588.3 secs Computing kpt #: 213 total cpu time spent up to now is 1594.5 secs Computing kpt #: 214 total cpu time spent up to now is 1600.8 secs Computing kpt #: 215 total cpu time spent up to now is 1607.3 secs Computing kpt #: 216 total cpu time spent up to now is 1613.8 secs Computing kpt #: 217 total cpu time spent up to now is 1620.1 secs Computing kpt #: 218 total cpu time spent up to now is 1626.6 secs Computing kpt #: 219 total cpu time spent up to now is 1633.0 secs Computing kpt #: 220 total cpu time spent up to now is 1639.5 secs Computing kpt #: 221 total cpu time spent up to now is 1646.0 secs Computing kpt #: 222 total cpu time spent up to now is 1652.6 secs Computing kpt #: 223 total cpu time spent up to now is 1659.2 secs Computing kpt #: 224 total cpu time spent up to now is 1665.7 secs Computing kpt #: 225 total cpu time spent up to now is 1672.3 secs Computing kpt #: 226 total cpu time spent up to now is 1678.9 secs Computing kpt #: 227 total cpu time spent up to now is 1685.8 secs Computing kpt #: 228 total cpu time spent up to now is 1692.7 secs Computing kpt #: 229 total cpu time spent up to now is 1699.7 secs Computing kpt #: 230 total cpu time spent up to now is 1707.0 secs Computing kpt #: 231 total cpu time spent up to now is 1713.9 secs Computing kpt #: 232 total cpu time spent up to now is 1721.0 secs Computing kpt #: 233 total cpu time spent up to now is 1728.7 secs Computing kpt #: 234 total cpu time spent up to now is 1736.4 secs Computing kpt #: 235 total cpu time spent up to now is 1744.3 secs Computing kpt #: 236 total cpu time spent up to now is 1753.0 secs Computing kpt #: 237 total cpu time spent up to now is 1762.1 secs Computing kpt #: 238 total cpu time spent up to now is 1771.9 secs Computing kpt #: 239 total cpu time spent up to now is 1782.7 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1793.7 secs Computing kpt #: 241 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1804.9 secs Computing kpt #: 242 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1816.4 secs Computing kpt #: 243 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1827.5 secs Computing kpt #: 244 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1840.3 secs Computing kpt #: 245 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1851.6 secs Computing kpt #: 246 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1862.8 secs Computing kpt #: 247 total cpu time spent up to now is 1869.4 secs Computing kpt #: 248 total cpu time spent up to now is 1875.8 secs Computing kpt #: 249 total cpu time spent up to now is 1882.3 secs Computing kpt #: 250 total cpu time spent up to now is 1889.1 secs Computing kpt #: 251 total cpu time spent up to now is 1895.5 secs Computing kpt #: 252 total cpu time spent up to now is 1902.2 secs Computing kpt #: 253 total cpu time spent up to now is 1908.8 secs Computing kpt #: 254 total cpu time spent up to now is 1915.3 secs Computing kpt #: 255 total cpu time spent up to now is 1922.0 secs Computing kpt #: 256 total cpu time spent up to now is 1928.7 secs Computing kpt #: 257 total cpu time spent up to now is 1935.5 secs Computing kpt #: 258 total cpu time spent up to now is 1942.2 secs Computing kpt #: 259 total cpu time spent up to now is 1949.1 secs Computing kpt #: 260 total cpu time spent up to now is 1955.7 secs Computing kpt #: 261 total cpu time spent up to now is 1962.3 secs Computing kpt #: 262 total cpu time spent up to now is 1968.9 secs Computing kpt #: 263 total cpu time spent up to now is 1975.3 secs Computing kpt #: 264 total cpu time spent up to now is 1981.7 secs Computing kpt #: 265 total cpu time spent up to now is 1988.2 secs Computing kpt #: 266 total cpu time spent up to now is 1995.0 secs ethr = 1.56E-11, avg # of iterations = 57.1 total cpu time spent up to now is 1995.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6827 PWs) bands (ev): -20.2767 -20.2767 -20.1127 -20.1127 -17.6067 -17.6067 -17.2846 -17.2846 -17.2615 -17.2615 -17.2356 -17.2356 -17.2233 -17.2233 -17.2079 -17.2079 -9.1126 -9.1126 -8.1251 -8.1251 -5.9267 -5.9267 -5.4913 -5.4913 -5.4471 -5.4471 -5.4371 -5.4371 -5.2117 -5.2117 -5.1851 -5.1851 -2.6135 -2.6135 -2.2377 -2.2377 -2.2353 -2.2353 -2.0610 -2.0610 -1.9157 -1.9157 -1.5925 -1.5925 -1.5483 -1.5483 -1.5339 -1.5339 -1.5173 -1.5173 -1.5076 -1.5076 -0.1495 -0.1495 -0.1075 -0.1075 0.6590 0.6590 0.7493 0.7493 0.8108 0.8108 0.8173 0.8173 6.4984 6.4984 8.8904 8.8904 9.1443 9.1443 9.8668 9.8668 10.3741 10.3741 10.4099 10.4099 k = 0.0000 0.0000 0.0261 ( 6825 PWs) bands (ev): -20.2765 -20.2765 -20.1126 -20.1125 -17.6072 -17.6067 -17.2846 -17.2846 -17.2617 -17.2615 -17.2357 -17.2356 -17.2236 -17.2232 -17.2084 -17.2084 -9.1111 -9.1111 -8.1238 -8.1237 -5.9287 -5.9281 -5.4924 -5.4901 -5.4480 -5.4462 -5.4370 -5.4366 -5.2111 -5.2106 -5.1847 -5.1844 -2.6136 -2.6135 -2.2382 -2.2382 -2.2353 -2.2352 -2.0606 -2.0604 -1.9160 -1.9157 -1.5933 -1.5931 -1.5530 -1.5490 -1.5364 -1.5288 -1.5181 -1.5156 -1.5082 -1.5067 -0.1498 -0.1496 -0.1084 -0.1083 0.6585 0.6591 0.7473 0.7488 0.8091 0.8097 0.8152 0.8172 6.5007 6.5007 8.8916 8.8918 9.1460 9.1461 9.8672 9.8685 10.3743 10.3755 10.4115 10.4120 k = 0.0000 0.0000 0.0522 ( 6827 PWs) bands (ev): -20.2757 -20.2757 -20.1121 -20.1121 -17.6080 -17.6072 -17.2847 -17.2847 -17.2622 -17.2616 -17.2358 -17.2357 -17.2240 -17.2234 -17.2100 -17.2099 -9.1069 -9.1069 -8.1198 -8.1197 -5.9343 -5.9331 -5.4932 -5.4889 -5.4492 -5.4463 -5.4363 -5.4349 -5.2088 -5.2078 -5.1832 -5.1826 -2.6138 -2.6136 -2.2397 -2.2396 -2.2351 -2.2349 -2.0591 -2.0587 -1.9167 -1.9161 -1.5953 -1.5950 -1.5603 -1.5563 -1.5350 -1.5255 -1.5162 -1.5140 -1.5086 -1.5051 -0.1504 -0.1501 -0.1110 -0.1107 0.6574 0.6588 0.7431 0.7460 0.8047 0.8057 0.8109 0.8148 6.5075 6.5075 8.8956 8.8958 9.1512 9.1514 9.8697 9.8724 10.3761 10.3784 10.4169 10.4179 k = 0.0000 0.0000 0.0783 ( 6829 PWs) bands (ev): -20.2744 -20.2744 -20.1114 -20.1113 -17.6093 -17.6081 -17.2849 -17.2848 -17.2629 -17.2621 -17.2360 -17.2358 -17.2247 -17.2237 -17.2125 -17.2124 -9.0999 -9.0999 -8.1131 -8.1130 -5.9433 -5.9415 -5.4938 -5.4877 -5.4511 -5.4477 -5.4345 -5.4314 -5.2049 -5.2034 -5.1806 -5.1797 -2.6140 -2.6138 -2.2421 -2.2420 -2.2348 -2.2344 -2.0565 -2.0560 -1.9177 -1.9169 -1.5987 -1.5981 -1.5699 -1.5666 -1.5330 -1.5249 -1.5134 -1.5118 -1.5084 -1.5021 -0.1514 -0.1509 -0.1151 -0.1147 0.6558 0.6580 0.7367 0.7409 0.7975 0.7989 0.8047 0.8103 6.5190 6.5190 8.9021 8.9025 9.1601 9.1603 9.8744 9.8783 10.3792 10.3824 10.4261 10.4277 k = 0.0000 0.0000 0.1044 ( 6830 PWs) bands (ev): -20.2727 -20.2727 -20.1103 -20.1102 -17.6111 -17.6094 -17.2852 -17.2851 -17.2639 -17.2627 -17.2363 -17.2359 -17.2255 -17.2242 -17.2160 -17.2158 -9.0901 -9.0901 -8.1038 -8.1037 -5.9556 -5.9532 -5.4941 -5.4863 -5.4543 -5.4503 -5.4312 -5.4265 -5.1997 -5.1978 -5.1768 -5.1755 -2.6144 -2.6141 -2.2454 -2.2452 -2.2343 -2.2337 -2.0531 -2.0523 -1.9191 -1.9180 -1.6033 -1.6023 -1.5817 -1.5788 -1.5312 -1.5249 -1.5134 -1.5102 -1.5044 -1.4977 -0.1529 -0.1523 -0.1205 -0.1200 0.6532 0.6564 0.7286 0.7338 0.7876 0.7891 0.7965 0.8036 6.5349 6.5349 8.9110 8.9115 9.1725 9.1729 9.8812 9.8863 10.3832 10.3872 10.4392 10.4416 k = 0.0000 0.0000 0.1305 ( 6832 PWs) bands (ev): -20.2704 -20.2704 -20.1090 -20.1089 -17.6132 -17.6111 -17.2855 -17.2853 -17.2653 -17.2638 -17.2368 -17.2361 -17.2265 -17.2249 -17.2203 -17.2199 -9.0776 -9.0776 -8.0919 -8.0918 -5.9709 -5.9680 -5.4942 -5.4848 -5.4587 -5.4537 -5.4264 -5.4204 -5.1933 -5.1912 -5.1718 -5.1700 -2.6149 -2.6145 -2.2494 -2.2492 -2.2335 -2.2329 -2.0488 -2.0479 -1.9208 -1.9196 -1.6098 -1.6079 -1.5956 -1.5924 -1.5297 -1.5249 -1.5135 -1.5105 -1.4983 -1.4926 -0.1553 -0.1544 -0.1269 -0.1263 0.6493 0.6537 0.7194 0.7251 0.7749 0.7765 0.7864 0.7948 6.5553 6.5554 8.9222 8.9228 9.1887 9.1892 9.8900 9.8962 10.3879 10.3927 10.4562 10.4593 k = 0.0000 0.0000 0.1566 ( 6839 PWs) bands (ev): -20.2677 -20.2677 -20.1074 -20.1073 -17.6157 -17.6133 -17.2860 -17.2857 -17.2672 -17.2653 -17.2375 -17.2364 -17.2278 -17.2258 -17.2249 -17.2243 -9.0624 -9.0624 -8.0776 -8.0774 -5.9890 -5.9857 -5.4941 -5.4833 -5.4642 -5.4576 -5.4203 -5.4133 -5.1861 -5.1839 -5.1654 -5.1631 -2.6154 -2.6149 -2.2541 -2.2538 -2.2325 -2.2318 -2.0439 -2.0427 -1.9230 -1.9216 -1.6201 -1.6173 -1.6090 -1.6051 -1.5285 -1.5247 -1.5135 -1.5110 -1.4919 -1.4869 -0.1591 -0.1578 -0.1335 -0.1330 0.6432 0.6493 0.7098 0.7158 0.7595 0.7613 0.7745 0.7838 6.5801 6.5802 8.9354 8.9361 9.2087 9.2092 9.9008 9.9081 10.3931 10.3987 10.4768 10.4806 k = 0.0000 0.0000 0.1828 ( 6836 PWs) bands (ev): -20.2645 -20.2645 -20.1056 -20.1054 -17.6186 -17.6158 -17.2865 -17.2861 -17.2700 -17.2675 -17.2388 -17.2368 -17.2311 -17.2286 -17.2283 -17.2265 -9.0446 -9.0446 -8.0607 -8.0605 -6.0097 -6.0060 -5.4946 -5.4822 -5.4701 -5.4612 -5.4132 -5.4055 -5.1784 -5.1763 -5.1575 -5.1547 -2.6160 -2.6155 -2.2595 -2.2591 -2.2313 -2.2304 -2.0385 -2.0371 -1.9255 -1.9240 -1.6367 -1.6346 -1.6175 -1.6145 -1.5275 -1.5241 -1.5131 -1.5116 -1.4855 -1.4809 -0.1648 -0.1631 -0.1396 -0.1391 0.6342 0.6420 0.7009 0.7068 0.7416 0.7436 0.7608 0.7707 6.6093 6.6093 8.9504 8.9513 9.2325 9.2330 9.9135 9.9217 10.3988 10.4051 10.5009 10.5053 k = 0.0000 0.0000 0.2089 ( 6834 PWs) bands (ev): -20.2608 -20.2608 -20.1035 -20.1033 -17.6219 -17.6188 -17.2874 -17.2865 -17.2738 -17.2706 -17.2411 -17.2376 -17.2356 -17.2320 -17.2298 -17.2276 -9.0242 -9.0242 -8.0415 -8.0413 -6.0327 -6.0287 -5.4965 -5.4840 -5.4741 -5.4634 -5.4052 -5.3970 -5.1704 -5.1684 -5.1483 -5.1451 -2.6166 -2.6160 -2.2653 -2.2648 -2.2297 -2.2287 -2.0328 -2.0312 -1.9283 -1.9267 -1.6577 -1.6560 -1.6248 -1.6223 -1.5270 -1.5230 -1.5127 -1.5119 -1.4790 -1.4746 -0.1729 -0.1708 -0.1445 -0.1441 0.6216 0.6310 0.6936 0.6991 0.7213 0.7236 0.7453 0.7557 6.6426 6.6426 8.9671 8.9680 9.2602 9.2607 9.9279 9.9370 10.4048 10.4119 10.5281 10.5329 k = 0.0000 0.0000 0.2350 ( 6834 PWs) bands (ev): -20.2568 -20.2568 -20.1012 -20.1009 -17.6255 -17.6221 -17.2887 -17.2872 -17.2790 -17.2748 -17.2442 -17.2413 -17.2371 -17.2341 -17.2311 -17.2287 -9.0013 -9.0013 -8.0199 -8.0197 -6.0579 -6.0536 -5.5009 -5.4912 -5.4733 -5.4633 -5.3964 -5.3878 -5.1621 -5.1603 -5.1380 -5.1343 -2.6173 -2.6166 -2.2715 -2.2710 -2.2278 -2.2267 -2.0272 -2.0253 -1.9312 -1.9296 -1.6815 -1.6800 -1.6323 -1.6299 -1.5268 -1.5217 -1.5127 -1.5111 -1.4725 -1.4683 -0.1831 -0.1807 -0.1485 -0.1480 0.6052 0.6157 0.6881 0.6922 0.6987 0.7024 0.7282 0.7387 6.6800 6.6801 8.9851 8.9861 9.2916 9.2922 9.9438 9.9536 10.4111 10.4191 10.5580 10.5632 k = 0.0000 0.0000 0.2611 ( 6836 PWs) bands (ev): -20.2523 -20.2523 -20.0987 -20.0984 -17.6295 -17.6257 -17.2913 -17.2889 -17.2849 -17.2795 -17.2473 -17.2452 -17.2377 -17.2354 -17.2325 -17.2299 -8.9761 -8.9760 -7.9962 -7.9959 -6.0850 -6.0804 -5.5081 -5.5011 -5.4703 -5.4608 -5.3870 -5.3782 -5.1535 -5.1519 -5.1267 -5.1228 -2.6180 -2.6172 -2.2781 -2.2775 -2.2255 -2.2243 -2.0222 -2.0200 -1.9338 -1.9323 -1.7077 -1.7062 -1.6401 -1.6377 -1.5268 -1.5203 -1.5127 -1.5097 -1.4660 -1.4620 -0.1946 -0.1920 -0.1519 -0.1513 0.5856 0.5966 0.6739 0.6748 0.6841 0.6913 0.7100 0.7199 6.7215 6.7215 9.0043 9.0053 9.3269 9.3275 9.9608 9.9712 10.4178 10.4266 10.5903 10.5957 k = 0.0000 0.0000 0.2872 ( 6838 PWs) bands (ev): -20.2474 -20.2474 -20.0960 -20.0957 -17.6337 -17.6297 -17.2968 -17.2958 -17.2872 -17.2831 -17.2500 -17.2484 -17.2383 -17.2365 -17.2337 -17.2311 -8.9485 -8.9485 -7.9705 -7.9701 -6.1138 -6.1089 -5.5176 -5.5123 -5.4661 -5.4567 -5.3771 -5.3681 -5.1445 -5.1432 -5.1148 -5.1107 -2.6187 -2.6178 -2.2850 -2.2843 -2.2228 -2.2214 -2.0185 -2.0160 -1.9355 -1.9342 -1.7357 -1.7343 -1.6481 -1.6457 -1.5269 -1.5194 -1.5122 -1.5079 -1.4596 -1.4556 -0.2068 -0.2040 -0.1551 -0.1544 0.5632 0.5744 0.6473 0.6490 0.6780 0.6878 0.6932 0.6995 6.7668 6.7669 9.0246 9.0257 9.3658 9.3664 9.9786 9.9896 10.4249 10.4346 10.6247 10.6302 k = 0.0000 0.0000 0.3133 ( 6832 PWs) bands (ev): -20.2421 -20.2421 -20.0931 -20.0928 -17.6382 -17.6339 -17.3059 -17.3055 -17.2880 -17.2851 -17.2522 -17.2509 -17.2389 -17.2375 -17.2349 -17.2322 -8.9188 -8.9188 -7.9428 -7.9424 -6.1441 -6.1390 -5.5288 -5.5248 -5.4609 -5.4514 -5.3669 -5.3577 -5.1352 -5.1340 -5.1026 -5.0983 -2.6193 -2.6184 -2.2921 -2.2913 -2.2197 -2.2182 -2.0170 -2.0141 -1.9356 -1.9346 -1.7654 -1.7640 -1.6564 -1.6539 -1.5272 -1.5190 -1.5108 -1.5058 -1.4533 -1.4493 -0.2193 -0.2163 -0.1584 -0.1576 0.5386 0.5498 0.6190 0.6211 0.6619 0.6766 0.6851 0.6873 6.8158 6.8159 9.0458 9.0469 9.4081 9.4087 9.9967 10.0081 10.4326 10.4432 10.6608 10.6662 k = 0.0000 0.0000 0.3394 ( 6839 PWs) bands (ev): -20.2365 -20.2365 -20.0902 -20.0899 -17.6429 -17.6383 -17.3173 -17.3163 -17.2887 -17.2863 -17.2539 -17.2528 -17.2398 -17.2385 -17.2358 -17.2334 -8.8870 -8.8870 -7.9133 -7.9128 -6.1756 -6.1704 -5.5416 -5.5385 -5.4548 -5.4452 -5.3563 -5.3470 -5.1256 -5.1245 -5.0900 -5.0856 -2.6200 -2.6189 -2.2993 -2.2984 -2.2160 -2.2145 -2.0186 -2.0153 -1.9334 -1.9327 -1.7965 -1.7951 -1.6649 -1.6624 -1.5275 -1.5192 -1.5088 -1.5034 -1.4472 -1.4432 -0.2316 -0.2285 -0.1619 -0.1610 0.5122 0.5232 0.5893 0.5916 0.6397 0.6532 0.6833 0.6855 6.8685 6.8686 9.0678 9.0689 9.4536 9.4542 10.0144 10.0261 10.4408 10.4523 10.6982 10.7034 k = 0.0000 0.0000 0.3655 ( 6834 PWs) bands (ev): -20.2306 -20.2306 -20.0871 -20.0868 -17.6477 -17.6430 -17.3298 -17.3284 -17.2893 -17.2871 -17.2554 -17.2544 -17.2408 -17.2395 -17.2367 -17.2344 -8.8533 -8.8532 -7.8822 -7.8817 -6.2083 -6.2029 -5.5557 -5.5532 -5.4479 -5.4382 -5.3455 -5.3362 -5.1156 -5.1146 -5.0774 -5.0729 -2.6205 -2.6194 -2.3067 -2.3057 -2.2119 -2.2102 -2.0235 -2.0201 -1.9287 -1.9281 -1.8286 -1.8273 -1.6736 -1.6711 -1.5279 -1.5196 -1.5064 -1.5009 -1.4412 -1.4372 -0.2436 -0.2403 -0.1656 -0.1646 0.4844 0.4949 0.5584 0.5611 0.6153 0.6282 0.6825 0.6846 6.9247 6.9248 9.0905 9.0916 9.5021 9.5026 10.0311 10.0428 10.4499 10.4623 10.7364 10.7413 k = 0.0000 0.0000 0.3916 ( 6843 PWs) bands (ev): -20.2244 -20.2244 -20.0840 -20.0837 -17.6527 -17.6478 -17.3431 -17.3415 -17.2899 -17.2879 -17.2568 -17.2558 -17.2420 -17.2405 -17.2374 -17.2353 -8.8177 -8.8177 -7.8498 -7.8491 -6.2419 -6.2363 -5.5710 -5.5690 -5.4403 -5.4306 -5.3346 -5.3253 -5.1053 -5.1045 -5.0648 -5.0603 -2.6210 -2.6198 -2.3141 -2.3130 -2.2073 -2.2054 -2.0318 -2.0284 -1.9218 -1.9210 -1.8613 -1.8601 -1.6825 -1.6799 -1.5283 -1.5202 -1.5038 -1.4982 -1.4354 -1.4314 -0.2548 -0.2513 -0.1698 -0.1687 0.4552 0.4652 0.5266 0.5297 0.5896 0.6020 0.6821 0.6841 6.9841 6.9843 9.1138 9.1148 9.5531 9.5537 10.0457 10.0573 10.4600 10.4731 10.7749 10.7793 k = 0.0000 0.0000 0.4177 ( 6843 PWs) bands (ev): -20.2180 -20.2180 -20.0809 -20.0805 -17.6577 -17.6527 -17.3570 -17.3552 -17.2904 -17.2885 -17.2579 -17.2569 -17.2433 -17.2415 -17.2381 -17.2361 -8.7805 -8.7805 -7.8161 -7.8153 -6.2763 -6.2705 -5.5874 -5.5859 -5.4321 -5.4223 -5.3237 -5.3144 -5.0949 -5.0941 -5.0524 -5.0478 -2.6214 -2.6201 -2.3215 -2.3204 -2.2020 -2.2001 -2.0431 -2.0398 -1.9142 -1.9126 -1.8934 -1.8925 -1.6914 -1.6888 -1.5287 -1.5208 -1.5011 -1.4955 -1.4299 -1.4258 -0.2650 -0.2613 -0.1743 -0.1731 0.4250 0.4343 0.4944 0.4978 0.5628 0.5748 0.6819 0.6837 7.0468 7.0470 9.1376 9.1386 9.6064 9.6069 10.0572 10.0685 10.4712 10.4850 10.8128 10.8165 k = 0.0000 0.0000 0.4438 ( 6848 PWs) bands (ev): -20.2114 -20.2113 -20.0778 -20.0774 -17.6628 -17.6577 -17.3715 -17.3695 -17.2910 -17.2892 -17.2590 -17.2580 -17.2446 -17.2426 -17.2387 -17.2368 -8.7418 -8.7418 -7.7814 -7.7806 -6.3111 -6.3053 -5.6050 -5.6038 -5.4233 -5.4135 -5.3130 -5.3036 -5.0842 -5.0835 -5.0401 -5.0356 -2.6217 -2.6203 -2.3289 -2.3277 -2.1963 -2.1943 -2.0571 -2.0541 -1.9294 -1.9281 -1.9006 -1.9001 -1.7003 -1.6977 -1.5292 -1.5214 -1.4985 -1.4928 -1.4247 -1.4206 -0.2739 -0.2702 -0.1793 -0.1780 0.3937 0.4023 0.4620 0.4659 0.5351 0.5466 0.6819 0.6836 7.1125 7.1127 9.1618 9.1628 9.6615 9.6620 10.0646 10.0753 10.4837 10.4980 10.8487 10.8517 k = 0.0000 0.0000 0.4699 ( 6841 PWs) bands (ev): -20.2045 -20.2045 -20.0747 -20.0743 -17.6678 -17.6626 -17.3863 -17.3842 -17.2915 -17.2897 -17.2600 -17.2590 -17.2458 -17.2437 -17.2393 -17.2375 -8.7018 -8.7017 -7.7460 -7.7451 -6.3463 -6.3404 -5.6235 -5.6227 -5.4140 -5.4041 -5.3024 -5.2931 -5.0735 -5.0728 -5.0280 -5.0236 -2.6218 -2.6203 -2.3362 -2.3350 -2.1900 -2.1880 -2.0735 -2.0710 -1.9609 -1.9603 -1.8901 -1.8893 -1.7091 -1.7065 -1.5296 -1.5220 -1.4959 -1.4902 -1.4198 -1.4157 -0.2815 -0.2776 -0.1847 -0.1833 0.3615 0.3694 0.4301 0.4343 0.5068 0.5177 0.6820 0.6835 7.1811 7.1813 9.1863 9.1872 9.7177 9.7182 10.0667 10.0766 10.4975 10.5121 10.8804 10.8826 k = 0.0000 0.0000 0.4960 ( 6839 PWs) bands (ev): -20.1976 -20.1975 -20.0717 -20.0713 -17.6727 -17.6675 -17.4013 -17.3992 -17.2921 -17.2903 -17.2609 -17.2599 -17.2470 -17.2448 -17.2399 -17.2381 -8.6607 -8.6606 -7.7103 -7.7092 -6.3816 -6.3756 -5.6431 -5.6425 -5.4042 -5.3944 -5.2922 -5.2829 -5.0628 -5.0621 -5.0163 -5.0120 -2.6218 -2.6202 -2.3435 -2.3422 -2.1833 -2.1812 -2.0924 -2.0904 -1.9918 -1.9917 -1.8787 -1.8777 -1.7174 -1.7148 -1.5301 -1.5226 -1.4935 -1.4878 -1.4154 -1.4113 -0.2874 -0.2834 -0.1906 -0.1891 0.3284 0.3355 0.3990 0.4034 0.4778 0.4882 0.6822 0.6836 7.2524 7.2526 9.2110 9.2118 9.7741 9.7747 10.0628 10.0717 10.5124 10.5271 10.9042 10.9061 k = 0.0000 0.0000 0.5222 ( 6842 PWs) bands (ev): -20.1905 -20.1905 -20.0688 -20.0684 -17.6775 -17.6722 -17.4165 -17.4143 -17.2926 -17.2908 -17.2618 -17.2608 -17.2482 -17.2459 -17.2404 -17.2387 -8.6185 -8.6185 -7.6744 -7.6732 -6.4167 -6.4106 -5.6635 -5.6632 -5.3941 -5.3842 -5.2824 -5.2731 -5.0521 -5.0515 -5.0049 -5.0007 -2.6215 -2.6198 -2.3505 -2.3492 -2.1764 -2.1744 -2.1135 -2.1119 -2.0217 -2.0208 -1.8673 -1.8661 -1.7250 -1.7225 -1.5305 -1.5232 -1.4912 -1.4855 -1.4115 -1.4073 -0.2916 -0.2875 -0.1968 -0.1953 0.2945 0.3010 0.3690 0.3735 0.4485 0.4583 0.6824 0.6837 7.3262 7.3265 9.2356 9.2365 9.8288 9.8295 10.0534 10.0610 10.5280 10.5426 10.9166 10.9188 k = 0.0000 0.0000 0.5483 ( 6842 PWs) bands (ev): -20.1834 -20.1834 -20.0660 -20.0656 -17.6820 -17.6768 -17.4317 -17.4294 -17.2930 -17.2913 -17.2626 -17.2617 -17.2492 -17.2470 -17.2409 -17.2393 -8.5757 -8.5756 -7.6388 -7.6374 -6.4514 -6.4452 -5.6848 -5.6847 -5.3836 -5.3738 -5.2731 -5.2639 -5.0416 -5.0410 -4.9938 -4.9898 -2.6211 -2.6193 -2.3574 -2.3560 -2.1707 -2.1689 -2.1356 -2.1336 -2.0493 -2.0478 -1.8568 -1.8553 -1.7313 -1.7288 -1.5309 -1.5238 -1.4891 -1.4835 -1.4081 -1.4039 -0.2941 -0.2898 -0.2035 -0.2019 0.2600 0.2659 0.3406 0.3449 0.4189 0.4280 0.6826 0.6838 7.4025 7.4029 9.2602 9.2610 9.8771 9.8780 10.0421 10.0481 10.5439 10.5580 10.9165 10.9191 k = 0.0000 0.0000 0.5744 ( 6837 PWs) bands (ev): -20.1764 -20.1763 -20.0634 -20.0630 -17.6863 -17.6811 -17.4467 -17.4444 -17.2935 -17.2918 -17.2634 -17.2625 -17.2502 -17.2480 -17.2414 -17.2398 -8.5324 -8.5323 -7.6038 -7.6023 -6.4853 -6.4791 -5.7069 -5.7068 -5.3729 -5.3631 -5.2644 -5.2553 -5.0313 -5.0307 -4.9832 -4.9794 -2.6204 -2.6185 -2.3641 -2.3626 -2.1762 -2.1738 -2.1491 -2.1455 -2.0747 -2.0725 -1.8481 -1.8464 -1.7353 -1.7329 -1.5313 -1.5244 -1.4872 -1.4817 -1.4053 -1.4012 -0.2946 -0.2902 -0.2105 -0.2088 0.2251 0.2305 0.3139 0.3178 0.3894 0.3976 0.6829 0.6840 7.4811 7.4814 9.2844 9.2852 9.9045 9.9061 10.0423 10.0462 10.5592 10.5727 10.9067 10.9100 k = 0.0000 0.0000 0.6005 ( 6837 PWs) bands (ev): -20.1693 -20.1692 -20.0610 -20.0606 -17.6903 -17.6851 -17.4616 -17.4592 -17.2938 -17.2922 -17.2641 -17.2632 -17.2511 -17.2490 -17.2418 -17.2403 -8.4888 -8.4887 -7.5700 -7.5683 -6.5181 -6.5118 -5.7296 -5.7293 -5.3620 -5.3523 -5.2564 -5.2473 -5.0212 -5.0207 -4.9731 -4.9694 -2.6195 -2.6174 -2.3705 -2.3690 -2.1995 -2.1965 -2.1453 -2.1415 -2.0974 -2.0950 -1.8424 -1.8405 -1.7360 -1.7338 -1.5317 -1.5249 -1.4856 -1.4802 -1.4033 -1.3992 -0.2933 -0.2888 -0.2176 -0.2158 0.1901 0.1952 0.2890 0.2922 0.3600 0.3673 0.6832 0.6842 7.5616 7.5620 9.3082 9.3089 9.8939 9.8960 10.0711 10.0731 10.5733 10.5861 10.8921 10.8961 k = 0.0000 0.0000 0.6266 ( 6843 PWs) bands (ev): -20.1624 -20.1623 -20.0588 -20.0584 -17.6939 -17.6888 -17.4761 -17.4737 -17.2942 -17.2927 -17.2648 -17.2640 -17.2520 -17.2499 -17.2423 -17.2408 -8.4453 -8.4452 -7.5378 -7.5360 -6.5494 -6.5431 -5.7528 -5.7524 -5.3510 -5.3413 -5.2492 -5.2402 -5.0116 -5.0111 -4.9634 -4.9600 -2.6183 -2.6161 -2.3767 -2.3751 -2.2271 -2.2237 -2.1394 -2.1352 -2.1160 -2.1140 -1.8408 -1.8386 -1.7325 -1.7304 -1.5321 -1.5254 -1.4842 -1.4790 -1.4022 -1.3980 -0.2901 -0.2856 -0.2247 -0.2229 0.1553 0.1601 0.2658 0.2681 0.3311 0.3373 0.6835 0.6844 7.6441 7.6445 9.3313 9.3320 9.8544 9.8563 10.1192 10.1204 10.5855 10.5974 10.8764 10.8810 k = 0.0000 0.0000 0.6527 ( 6843 PWs) bands (ev): -20.1556 -20.1555 -20.0569 -20.0565 -17.6971 -17.6922 -17.4902 -17.4878 -17.2945 -17.2930 -17.2654 -17.2646 -17.2527 -17.2508 -17.2427 -17.2413 -8.4022 -8.4021 -7.5077 -7.5057 -6.5786 -6.5724 -5.7762 -5.7756 -5.3400 -5.3304 -5.2429 -5.2339 -5.0024 -5.0019 -4.9543 -4.9511 -2.6168 -2.6145 -2.3826 -2.3809 -2.2553 -2.2515 -2.1460 -2.1419 -2.1192 -2.1173 -1.8434 -1.8410 -1.7247 -1.7227 -1.5325 -1.5259 -1.4830 -1.4780 -1.4019 -1.3977 -0.2853 -0.2808 -0.2315 -0.2297 0.1211 0.1256 0.2442 0.2455 0.3031 0.3078 0.6838 0.6846 7.7282 7.7287 9.3534 9.3541 9.7997 9.8010 10.1738 10.1747 10.5953 10.6063 10.8618 10.8667 k = 0.0000 0.0000 0.6788 ( 6839 PWs) bands (ev): -20.1490 -20.1489 -20.0552 -20.0549 -17.6998 -17.6951 -17.5038 -17.5013 -17.2948 -17.2934 -17.2660 -17.2653 -17.2534 -17.2516 -17.2430 -17.2418 -8.3598 -8.3597 -7.4803 -7.4782 -6.6055 -6.5993 -5.7995 -5.7989 -5.3291 -5.3195 -5.2375 -5.2285 -4.9937 -4.9932 -4.9457 -4.9427 -2.6149 -2.6126 -2.3882 -2.3864 -2.2830 -2.2788 -2.1626 -2.1589 -2.1104 -2.1079 -1.8494 -1.8469 -1.7136 -1.7115 -1.5329 -1.5264 -1.4820 -1.4772 -1.4026 -1.3984 -0.2791 -0.2745 -0.2376 -0.2360 0.0878 0.0920 0.2230 0.2248 0.2766 0.2795 0.6841 0.6848 7.8138 7.8143 9.3743 9.3749 9.7355 9.7363 10.2299 10.2306 10.6026 10.6127 10.8490 10.8541 k = 0.0000 0.0000 0.7049 ( 6834 PWs) bands (ev): -20.1427 -20.1426 -20.0538 -20.0535 -17.7021 -17.6976 -17.5166 -17.5142 -17.2950 -17.2937 -17.2665 -17.2658 -17.2540 -17.2523 -17.2434 -17.2422 -8.3185 -8.3185 -7.4560 -7.4538 -6.6294 -6.6234 -5.8226 -5.8218 -5.3183 -5.3088 -5.2330 -5.2242 -4.9856 -4.9852 -4.9378 -4.9350 -2.6128 -2.6104 -2.3935 -2.3916 -2.3095 -2.3051 -2.1796 -2.1760 -2.0992 -2.0966 -1.8580 -1.8554 -1.7001 -1.6979 -1.5332 -1.5268 -1.4812 -1.4765 -1.4044 -1.4000 -0.2721 -0.2676 -0.2422 -0.2408 0.0556 0.0596 0.2016 0.2054 0.2521 0.2531 0.6843 0.6850 7.9005 7.9010 9.3933 9.3940 9.6649 9.6654 10.2853 10.2861 10.6075 10.6167 10.8379 10.8431 k = 0.0000 0.0000 0.7310 ( 6830 PWs) bands (ev): -20.1368 -20.1367 -20.0527 -20.0524 -17.7039 -17.6997 -17.5287 -17.5263 -17.2952 -17.2940 -17.2670 -17.2664 -17.2545 -17.2530 -17.2437 -17.2426 -8.2789 -8.2788 -7.4353 -7.4331 -6.6501 -6.6443 -5.8450 -5.8442 -5.3077 -5.2983 -5.2296 -5.2208 -4.9782 -4.9778 -4.9305 -4.9280 -2.6103 -2.6079 -2.3987 -2.3965 -2.3345 -2.3296 -2.1955 -2.1922 -2.0871 -2.0844 -1.8683 -1.8657 -1.6852 -1.6828 -1.5336 -1.5273 -1.4804 -1.4760 -1.4072 -1.4028 -0.2662 -0.2620 -0.2437 -0.2420 0.0250 0.0288 0.1799 0.1860 0.2293 0.2310 0.6846 0.6851 7.9880 7.9886 9.4093 9.4101 9.5907 9.5910 10.3390 10.3398 10.6104 10.6189 10.8282 10.8332 k = 0.0000 0.0000 0.7571 ( 6825 PWs) bands (ev): -20.1312 -20.1311 -20.0518 -20.0515 -17.7053 -17.7014 -17.5398 -17.5375 -17.2953 -17.2943 -17.2674 -17.2668 -17.2549 -17.2536 -17.2440 -17.2430 -8.2414 -8.2414 -7.4185 -7.4163 -6.6672 -6.6618 -5.8665 -5.8657 -5.2974 -5.2881 -5.2273 -5.2185 -4.9714 -4.9711 -4.9239 -4.9217 -2.6075 -2.6051 -2.4039 -2.4013 -2.3572 -2.3520 -2.2100 -2.2070 -2.0744 -2.0716 -1.8799 -1.8772 -1.6697 -1.6671 -1.5340 -1.5277 -1.4798 -1.4755 -1.4111 -1.4066 -0.2644 -0.2606 -0.2395 -0.2365 -0.0036 -0.0002 0.1576 0.1653 0.2098 0.2130 0.6848 0.6853 8.0759 8.0765 9.4174 9.4185 9.5191 9.5195 10.3900 10.3910 10.6121 10.6198 10.8191 10.8240 k = 0.0000 0.0000 0.7832 ( 6813 PWs) bands (ev): -20.1262 -20.1260 -20.0512 -20.0509 -17.7062 -17.7027 -17.5498 -17.5477 -17.2954 -17.2945 -17.2677 -17.2673 -17.2553 -17.2541 -17.2442 -17.2434 -8.2067 -8.2067 -7.4056 -7.4035 -6.6806 -6.6756 -5.8865 -5.8857 -5.2876 -5.2783 -5.2260 -5.2172 -4.9655 -4.9652 -4.9180 -4.9162 -2.6045 -2.6021 -2.4095 -2.4065 -2.3769 -2.3714 -2.2230 -2.2203 -2.0612 -2.0583 -1.8924 -1.8896 -1.6541 -1.6513 -1.5344 -1.5283 -1.4791 -1.4749 -1.4160 -1.4113 -0.2653 -0.2619 -0.2301 -0.2267 -0.0300 -0.0268 0.1352 0.1435 0.1948 0.1986 0.6850 0.6855 8.1635 8.1642 9.3924 9.3938 9.4768 9.4774 10.4372 10.4384 10.6132 10.6205 10.8101 10.8148 k = 0.0000 0.0000 0.8093 ( 6804 PWs) bands (ev): -20.1217 -20.1216 -20.0508 -20.0506 -17.7068 -17.7037 -17.5586 -17.5567 -17.2955 -17.2948 -17.2680 -17.2676 -17.2556 -17.2546 -17.2444 -17.2437 -8.1755 -8.1755 -7.3964 -7.3946 -6.6905 -6.6861 -5.9047 -5.9039 -5.2782 -5.2690 -5.2258 -5.2170 -4.9604 -4.9601 -4.9130 -4.9114 -2.6012 -2.5989 -2.4166 -2.4134 -2.3919 -2.3866 -2.2343 -2.2319 -2.0476 -2.0447 -1.9055 -1.9026 -1.6390 -1.6359 -1.5348 -1.5289 -1.4783 -1.4742 -1.4217 -1.4169 -0.2665 -0.2635 -0.2187 -0.2154 -0.0537 -0.0508 0.1134 0.1214 0.1835 0.1870 0.6852 0.6856 8.2500 8.2507 9.3241 9.3252 9.4757 9.4760 10.4794 10.4809 10.6153 10.6222 10.8006 10.8050 k = 0.0000 0.0000 0.8354 ( 6799 PWs) bands (ev): -20.1178 -20.1177 -20.0506 -20.0504 -17.7070 -17.7044 -17.5660 -17.5644 -17.2956 -17.2949 -17.2682 -17.2679 -17.2558 -17.2550 -17.2445 -17.2440 -8.1484 -8.1484 -7.3905 -7.3889 -6.6972 -6.6935 -5.9204 -5.9198 -5.2694 -5.2603 -5.2267 -5.2179 -4.9561 -4.9559 -4.9087 -4.9075 -2.5979 -2.5958 -2.4257 -2.4233 -2.4006 -2.3967 -2.2437 -2.2417 -2.0337 -2.0308 -1.9190 -1.9162 -1.6248 -1.6217 -1.5352 -1.5296 -1.4774 -1.4734 -1.4278 -1.4231 -0.2671 -0.2644 -0.2070 -0.2040 -0.0741 -0.0716 0.0932 0.1003 0.1751 0.1781 0.6854 0.6857 8.3339 8.3346 9.2464 9.2474 9.4832 9.4833 10.5144 10.5162 10.6200 10.6267 10.7901 10.7942 k = 0.0000 0.0000 0.8616 ( 6801 PWs) bands (ev): -20.1147 -20.1146 -20.0505 -20.0503 -17.7069 -17.7049 -17.5719 -17.5706 -17.2956 -17.2951 -17.2684 -17.2682 -17.2559 -17.2553 -17.2446 -17.2442 -8.1263 -8.1263 -7.3871 -7.3858 -6.7013 -6.6985 -5.9333 -5.9328 -5.2612 -5.2523 -5.2285 -5.2198 -4.9527 -4.9526 -4.9054 -4.9044 -2.5948 -2.5930 -2.4356 -2.4340 -2.4049 -2.4025 -2.2511 -2.2496 -2.0196 -2.0166 -1.9330 -1.9301 -1.6124 -1.6093 -1.5356 -1.5306 -1.4762 -1.4724 -1.4339 -1.4294 -0.2669 -0.2647 -0.1959 -0.1935 -0.0907 -0.0886 0.0757 0.0816 0.1690 0.1713 0.6855 0.6857 8.4125 8.4132 9.1708 9.1717 9.4906 9.4907 10.5398 10.5417 10.6298 10.6359 10.7785 10.7823 k = 0.0000 0.0000 0.8877 ( 6799 PWs) bands (ev): -20.1124 -20.1123 -20.0504 -20.0503 -17.7067 -17.7053 -17.5762 -17.5753 -17.2956 -17.2953 -17.2685 -17.2684 -17.2560 -17.2556 -17.2447 -17.2444 -8.1098 -8.1098 -7.3854 -7.3845 -6.7035 -6.7016 -5.9429 -5.9425 -5.2538 -5.2451 -5.2312 -5.2227 -4.9503 -4.9502 -4.9029 -4.9022 -2.5921 -2.5908 -2.4439 -2.4429 -2.4072 -2.4058 -2.2563 -2.2553 -2.0052 -2.0023 -1.9472 -1.9443 -1.6022 -1.5997 -1.5358 -1.5318 -1.4747 -1.4714 -1.4392 -1.4354 -0.2662 -0.2646 -0.1869 -0.1852 -0.1028 -0.1012 0.0621 0.0663 0.1649 0.1665 0.6857 0.6858 8.4812 8.4818 9.1038 9.1045 9.4964 9.4964 10.5549 10.5563 10.6449 10.6497 10.7665 10.7697 k = 0.0000 0.0000 0.9138 ( 6807 PWs) bands (ev): -20.1109 -20.1109 -20.0504 -20.0504 -17.7064 -17.7057 -17.5787 -17.5782 -17.2955 -17.2954 -17.2686 -17.2685 -17.2560 -17.2558 -17.2447 -17.2445 -8.0997 -8.0997 -7.3847 -7.3842 -6.7044 -6.7034 -5.9487 -5.9485 -5.2472 -5.2399 -5.2338 -5.2266 -4.9488 -4.9488 -4.9013 -4.9010 -2.5901 -2.5894 -2.4493 -2.4487 -2.4083 -2.4076 -2.2594 -2.2589 -1.9908 -1.9879 -1.9615 -1.9586 -1.5952 -1.5937 -1.5355 -1.5332 -1.4730 -1.4710 -1.4426 -1.4402 -0.2653 -0.2645 -0.1808 -0.1800 -0.1099 -0.1090 0.0537 0.0559 0.1627 0.1635 0.6857 0.6858 8.5313 8.5316 9.0548 9.0552 9.5000 9.5000 10.5620 10.5627 10.6602 10.6630 10.7563 10.7584 k = 0.0000 0.0000 0.9399 ( 6802 PWs) bands (ev): -20.1104 -20.1104 -20.0504 -20.0504 -17.7060 -17.7060 -17.5794 -17.5794 -17.2955 -17.2955 -17.2686 -17.2686 -17.2559 -17.2559 -17.2446 -17.2446 -8.0963 -8.0963 -7.3843 -7.3843 -6.7043 -6.7043 -5.9506 -5.9506 -5.2418 -5.2418 -5.2311 -5.2311 -4.9483 -4.9483 -4.9007 -4.9007 -2.5891 -2.5891 -2.4509 -2.4509 -2.4084 -2.4084 -2.2603 -2.2603 -1.9771 -1.9771 -1.9723 -1.9723 -1.5922 -1.5922 -1.5346 -1.5346 -1.4715 -1.4715 -1.4429 -1.4429 -0.2647 -0.2647 -0.1785 -0.1785 -0.1119 -0.1119 0.0515 0.0515 0.1622 0.1622 0.6858 0.6858 8.5504 8.5504 9.0362 9.0362 9.5012 9.5012 10.5642 10.5642 10.6679 10.6679 10.7527 10.7527 k = 0.0000 0.0000 0.9399 ( 6802 PWs) bands (ev): -20.1104 -20.1104 -20.0504 -20.0504 -17.7060 -17.7060 -17.5794 -17.5794 -17.2955 -17.2955 -17.2686 -17.2686 -17.2559 -17.2559 -17.2446 -17.2446 -8.0963 -8.0963 -7.3843 -7.3843 -6.7043 -6.7043 -5.9506 -5.9506 -5.2418 -5.2418 -5.2311 -5.2311 -4.9483 -4.9483 -4.9007 -4.9007 -2.5891 -2.5891 -2.4509 -2.4509 -2.4084 -2.4084 -2.2603 -2.2603 -1.9771 -1.9771 -1.9723 -1.9723 -1.5922 -1.5922 -1.5346 -1.5346 -1.4715 -1.4715 -1.4429 -1.4429 -0.2647 -0.2647 -0.1785 -0.1785 -0.1119 -0.1119 0.0515 0.0515 0.1622 0.1622 0.6858 0.6858 8.5504 8.5504 9.0362 9.0362 9.5012 9.5012 10.5642 10.5642 10.6679 10.6679 10.7527 10.7527 k = 0.0000 0.0261 0.9399 ( 6813 PWs) bands (ev): -20.1103 -20.1103 -20.0504 -20.0504 -17.7062 -17.7059 -17.5798 -17.5796 -17.2956 -17.2954 -17.2688 -17.2683 -17.2560 -17.2559 -17.2447 -17.2446 -8.0951 -8.0950 -7.3844 -7.3843 -6.7044 -6.7040 -5.9522 -5.9520 -5.2450 -5.2389 -5.2330 -5.2270 -4.9487 -4.9478 -4.9010 -4.9004 -2.5891 -2.5890 -2.4513 -2.4508 -2.4104 -2.4096 -2.2612 -2.2608 -1.9806 -1.9778 -1.9688 -1.9668 -1.5925 -1.5911 -1.5349 -1.5340 -1.4718 -1.4713 -1.4432 -1.4427 -0.2654 -0.2646 -0.1783 -0.1781 -0.1139 -0.1125 0.0517 0.0529 0.1612 0.1614 0.6848 0.6851 8.5518 8.5518 9.0384 9.0384 9.5014 9.5014 10.5647 10.5655 10.6682 10.6688 10.7535 10.7542 k = 0.0000 0.0522 0.9399 ( 6817 PWs) bands (ev): -20.1098 -20.1098 -20.0504 -20.0504 -17.7064 -17.7058 -17.5808 -17.5805 -17.2957 -17.2954 -17.2689 -17.2679 -17.2560 -17.2558 -17.2448 -17.2446 -8.0915 -8.0913 -7.3845 -7.3842 -6.7045 -6.7036 -5.9567 -5.9562 -5.2474 -5.2391 -5.2301 -5.2220 -4.9489 -4.9472 -4.9013 -4.9001 -2.5889 -2.5886 -2.4519 -2.4508 -2.4153 -2.4138 -2.2635 -2.2628 -1.9827 -1.9797 -1.9596 -1.9579 -1.5920 -1.5893 -1.5351 -1.5333 -1.4721 -1.4712 -1.4436 -1.4427 -0.2669 -0.2653 -0.1778 -0.1774 -0.1179 -0.1152 0.0533 0.0555 0.1584 0.1589 0.6823 0.6829 8.5559 8.5559 9.0447 9.0448 9.5019 9.5019 10.5669 10.5685 10.6697 10.6707 10.7567 10.7581 k = 0.0000 0.0783 0.9399 ( 6816 PWs) bands (ev): -20.1091 -20.1091 -20.0504 -20.0503 -17.7066 -17.7057 -17.5825 -17.5821 -17.2959 -17.2955 -17.2689 -17.2675 -17.2560 -17.2557 -17.2450 -17.2446 -8.0854 -8.0852 -7.3848 -7.3843 -6.7044 -6.7030 -5.9640 -5.9634 -5.2489 -5.2402 -5.2246 -5.2162 -4.9491 -4.9466 -4.9016 -4.8998 -2.5884 -2.5881 -2.4528 -2.4511 -2.4230 -2.4206 -2.2671 -2.2662 -1.9834 -1.9803 -1.9475 -1.9462 -1.5908 -1.5867 -1.5351 -1.5325 -1.4724 -1.4710 -1.4442 -1.4427 -0.2691 -0.2667 -0.1777 -0.1769 -0.1230 -0.1192 0.0553 0.0583 0.1543 0.1552 0.6783 0.6791 8.5628 8.5629 9.0553 9.0554 9.5027 9.5027 10.5707 10.5730 10.6720 10.6735 10.7624 10.7645 k = 0.0000 0.1044 0.9399 ( 6812 PWs) bands (ev): -20.1080 -20.1080 -20.0504 -20.0503 -17.7068 -17.7057 -17.5848 -17.5843 -17.2961 -17.2955 -17.2688 -17.2670 -17.2560 -17.2557 -17.2452 -17.2447 -8.0770 -8.0768 -7.3853 -7.3847 -6.7039 -6.7020 -5.9741 -5.9732 -5.2494 -5.2406 -5.2182 -5.2098 -4.9494 -4.9460 -4.9017 -4.8994 -2.5878 -2.5874 -2.4542 -2.4517 -2.4327 -2.4295 -2.2720 -2.2708 -1.9830 -1.9800 -1.9330 -1.9316 -1.5890 -1.5834 -1.5349 -1.5313 -1.4728 -1.4709 -1.4448 -1.4429 -0.2719 -0.2688 -0.1788 -0.1774 -0.1276 -0.1227 0.0565 0.0600 0.1498 0.1512 0.6729 0.6739 8.5724 8.5725 9.0700 9.0701 9.5038 9.5039 10.5756 10.5786 10.6751 10.6768 10.7708 10.7735 k = 0.0000 0.1304 0.9399 ( 6817 PWs) bands (ev): -20.1067 -20.1067 -20.0504 -20.0503 -17.7071 -17.7056 -17.5877 -17.5871 -17.2964 -17.2956 -17.2687 -17.2665 -17.2560 -17.2556 -17.2454 -17.2448 -8.0663 -8.0659 -7.3863 -7.3857 -6.7028 -6.7005 -5.9868 -5.9858 -5.2489 -5.2401 -5.2112 -5.2029 -4.9497 -4.9457 -4.9016 -4.8987 -2.5870 -2.5865 -2.4564 -2.4527 -2.4438 -2.4395 -2.2780 -2.2766 -1.9819 -1.9789 -1.9163 -1.9145 -1.5867 -1.5797 -1.5344 -1.5300 -1.4732 -1.4708 -1.4455 -1.4432 -0.2753 -0.2715 -0.1822 -0.1802 -0.1298 -0.1243 0.0553 0.0590 0.1459 0.1480 0.6661 0.6674 8.5846 8.5847 9.0887 9.0889 9.5052 9.5053 10.5814 10.5847 10.6784 10.6802 10.7821 10.7855 k = 0.0000 0.1565 0.9399 ( 6825 PWs) bands (ev): -20.1051 -20.1050 -20.0504 -20.0503 -17.7073 -17.7055 -17.5912 -17.5904 -17.2966 -17.2957 -17.2684 -17.2659 -17.2559 -17.2555 -17.2457 -17.2450 -8.0532 -8.0528 -7.3882 -7.3874 -6.7008 -6.6981 -6.0021 -6.0009 -5.2474 -5.2387 -5.2038 -5.1957 -4.9504 -4.9458 -4.9011 -4.8979 -2.5861 -2.5854 -2.4619 -2.4577 -2.4521 -2.4478 -2.2851 -2.2833 -1.9803 -1.9773 -1.8979 -1.8956 -1.5839 -1.5755 -1.5336 -1.5283 -1.4736 -1.4708 -1.4464 -1.4437 -0.2794 -0.2749 -0.1881 -0.1858 -0.1287 -0.1229 0.0501 0.0540 0.1437 0.1467 0.6582 0.6597 8.5994 8.5995 9.1114 9.1117 9.5070 9.5071 10.5871 10.5905 10.6817 10.6832 10.7964 10.8005 k = 0.0000 0.1826 0.9399 ( 6831 PWs) bands (ev): -20.1032 -20.1032 -20.0504 -20.0503 -17.7074 -17.7054 -17.5953 -17.5943 -17.2970 -17.2959 -17.2681 -17.2652 -17.2559 -17.2553 -17.2460 -17.2451 -8.0379 -8.0375 -7.3911 -7.3902 -6.6976 -6.6946 -6.0198 -6.0184 -5.2449 -5.2363 -5.1962 -5.1882 -4.9513 -4.9464 -4.9001 -4.8966 -2.5851 -2.5843 -2.4727 -2.4697 -2.4543 -2.4516 -2.2929 -2.2909 -1.9785 -1.9754 -1.8781 -1.8752 -1.5808 -1.5711 -1.5324 -1.5263 -1.4740 -1.4708 -1.4473 -1.4442 -0.2842 -0.2790 -0.1959 -0.1936 -0.1244 -0.1187 0.0404 0.0444 0.1437 0.1475 0.6494 0.6511 8.6166 8.6168 9.1379 9.1382 9.5090 9.5091 10.5915 10.5947 10.6848 10.6857 10.8139 10.8186 k = 0.0000 0.2087 0.9399 ( 6828 PWs) bands (ev): -20.1011 -20.1010 -20.0505 -20.0504 -17.7075 -17.7053 -17.5998 -17.5987 -17.2973 -17.2960 -17.2677 -17.2645 -17.2558 -17.2552 -17.2463 -17.2453 -8.0205 -8.0199 -7.3954 -7.3944 -6.6929 -6.6895 -6.0397 -6.0381 -5.2416 -5.2331 -5.1884 -5.1806 -4.9528 -4.9477 -4.8985 -4.8950 -2.5841 -2.5832 -2.4858 -2.4826 -2.4561 -2.4533 -2.3013 -2.2991 -1.9765 -1.9734 -1.8576 -1.8541 -1.5774 -1.5667 -1.5305 -1.5240 -1.4745 -1.4708 -1.4483 -1.4449 -0.2896 -0.2837 -0.2045 -0.2021 -0.1180 -0.1125 0.0266 0.0310 0.1456 0.1499 0.6399 0.6417 8.6363 8.6365 9.1681 9.1684 9.5113 9.5114 10.5924 10.5950 10.6875 10.6883 10.8342 10.8395 k = 0.0000 0.2348 0.9399 ( 6834 PWs) bands (ev): -20.0988 -20.0987 -20.0507 -20.0505 -17.7075 -17.7050 -17.6048 -17.6036 -17.2976 -17.2962 -17.2673 -17.2637 -17.2557 -17.2551 -17.2467 -17.2455 -8.0010 -8.0003 -7.4014 -7.4004 -6.6864 -6.6827 -6.0616 -6.0600 -5.2374 -5.2291 -5.1805 -5.1730 -4.9548 -4.9496 -4.8963 -4.8929 -2.5831 -2.5821 -2.4992 -2.4958 -2.4577 -2.4545 -2.3103 -2.3079 -1.9744 -1.9713 -1.8368 -1.8328 -1.5738 -1.5625 -1.5281 -1.5213 -1.4749 -1.4708 -1.4494 -1.4457 -0.2958 -0.2892 -0.2133 -0.2103 -0.1103 -0.1049 0.0098 0.0146 0.1483 0.1530 0.6299 0.6318 8.6581 8.6584 9.2017 9.2020 9.5138 9.5140 10.5867 10.5885 10.6900 10.6926 10.8569 10.8629 k = 0.0000 0.2609 0.9399 ( 6824 PWs) bands (ev): -20.0963 -20.0962 -20.0509 -20.0507 -17.7074 -17.7047 -17.6102 -17.6089 -17.2979 -17.2964 -17.2667 -17.2630 -17.2556 -17.2549 -17.2470 -17.2456 -7.9794 -7.9788 -7.4095 -7.4084 -6.6778 -6.6738 -6.0855 -6.0837 -5.2327 -5.2245 -5.1726 -5.1653 -4.9573 -4.9522 -4.8937 -4.8904 -2.5824 -2.5812 -2.5121 -2.5084 -2.4591 -2.4556 -2.3195 -2.3170 -1.9723 -1.9692 -1.8163 -1.8118 -1.5701 -1.5584 -1.5248 -1.5183 -1.4753 -1.4709 -1.4506 -1.4466 -0.3025 -0.2951 -0.2216 -0.2178 -0.1020 -0.0966 -0.0088 -0.0031 0.1509 0.1560 0.6198 0.6218 8.6821 8.6824 9.2385 9.2388 9.5166 9.5168 10.5701 10.5717 10.6943 10.6987 10.8815 10.8881 k = 0.0000 0.2870 0.9399 ( 6818 PWs) bands (ev): -20.0936 -20.0935 -20.0512 -20.0511 -17.7071 -17.7041 -17.6160 -17.6146 -17.2983 -17.2965 -17.2661 -17.2622 -17.2555 -17.2548 -17.2473 -17.2458 -7.9560 -7.9553 -7.4199 -7.4188 -6.6668 -6.6625 -6.1112 -6.1093 -5.2274 -5.2194 -5.1648 -5.1577 -4.9603 -4.9555 -4.8907 -4.8876 -2.5821 -2.5809 -2.5240 -2.5201 -2.4604 -2.4566 -2.3290 -2.3263 -1.9703 -1.9672 -1.7967 -1.7916 -1.5660 -1.5546 -1.5209 -1.5150 -1.4757 -1.4709 -1.4518 -1.4476 -0.3095 -0.3014 -0.2292 -0.2244 -0.0946 -0.0885 -0.0275 -0.0201 0.1529 0.1581 0.6098 0.6119 8.7079 8.7082 9.2783 9.2787 9.5196 9.5198 10.5396 10.5416 10.7009 10.7070 10.9068 10.9139 k = 0.0000 0.3131 0.9399 ( 6817 PWs) bands (ev): -20.0907 -20.0906 -20.0517 -20.0515 -17.7066 -17.7034 -17.6221 -17.6205 -17.2986 -17.2967 -17.2654 -17.2613 -17.2554 -17.2546 -17.2476 -17.2460 -7.9309 -7.9300 -7.4328 -7.4317 -6.6532 -6.6487 -6.1384 -6.1364 -5.2219 -5.2139 -5.1570 -5.1502 -4.9638 -4.9592 -4.8874 -4.8845 -2.5828 -2.5815 -2.5343 -2.5302 -2.4616 -2.4575 -2.3386 -2.3357 -1.9684 -1.9653 -1.7787 -1.7730 -1.5617 -1.5509 -1.5162 -1.5114 -1.4761 -1.4710 -1.4532 -1.4488 -0.3164 -0.3077 -0.2361 -0.2302 -0.0917 -0.0835 -0.0425 -0.0326 0.1536 0.1588 0.6003 0.6024 8.7354 8.7357 9.3208 9.3212 9.5229 9.5231 10.4942 10.4964 10.7097 10.7168 10.9316 10.9391 k = 0.0000 0.3391 0.9399 ( 6821 PWs) bands (ev): -20.0878 -20.0876 -20.0523 -20.0521 -17.7058 -17.7025 -17.6284 -17.6267 -17.2988 -17.2968 -17.2647 -17.2605 -17.2553 -17.2544 -17.2479 -17.2461 -7.9040 -7.9032 -7.4484 -7.4473 -6.6369 -6.6322 -6.1671 -6.1649 -5.2163 -5.2084 -5.1493 -5.1428 -4.9677 -4.9635 -4.8840 -4.8813 -2.5847 -2.5835 -2.5422 -2.5380 -2.4626 -2.4582 -2.3481 -2.3450 -1.9666 -1.9636 -1.7627 -1.7563 -1.5571 -1.5470 -1.5109 -1.5074 -1.4763 -1.4711 -1.4546 -1.4502 -0.3228 -0.3137 -0.2423 -0.2355 -0.0981 -0.0887 -0.0459 -0.0352 0.1526 0.1578 0.5916 0.5936 8.7642 8.7645 9.3655 9.3660 9.5267 9.5269 10.4346 10.4367 10.7199 10.7277 10.9542 10.9617 k = 0.0000 0.3652 0.9399 ( 6822 PWs) bands (ev): -20.0847 -20.0846 -20.0530 -20.0528 -17.7048 -17.7013 -17.6349 -17.6331 -17.2991 -17.2970 -17.2639 -17.2597 -17.2552 -17.2543 -17.2481 -17.2461 -7.8757 -7.8748 -7.4668 -7.4657 -6.6180 -6.6131 -6.1970 -6.1948 -5.2108 -5.2030 -5.1415 -5.1353 -4.9721 -4.9681 -4.8806 -4.8780 -2.5883 -2.5874 -2.5472 -2.5432 -2.4634 -2.4589 -2.3573 -2.3541 -1.9650 -1.9621 -1.7494 -1.7422 -1.5524 -1.5429 -1.5052 -1.5027 -1.4764 -1.4711 -1.4562 -1.4517 -0.3284 -0.3190 -0.2482 -0.2405 -0.1119 -0.1031 -0.0380 -0.0286 0.1496 0.1549 0.5839 0.5859 8.7940 8.7944 9.4117 9.4122 9.5314 9.5316 10.3630 10.3650 10.7307 10.7390 10.9730 10.9804 k = 0.0000 0.3913 0.9399 ( 6822 PWs) bands (ev): -20.0816 -20.0815 -20.0540 -20.0537 -17.7035 -17.6998 -17.6416 -17.6397 -17.2993 -17.2971 -17.2631 -17.2589 -17.2551 -17.2540 -17.2482 -17.2461 -7.8461 -7.8451 -7.4879 -7.4869 -6.5963 -6.5913 -6.2280 -6.2257 -5.2057 -5.1980 -5.1336 -5.1279 -4.9767 -4.9730 -4.8773 -4.8747 -2.5933 -2.5929 -2.5495 -2.5458 -2.4640 -2.4594 -2.3662 -2.3628 -1.9636 -1.9608 -1.7392 -1.7311 -1.5479 -1.5385 -1.4994 -1.4970 -1.4762 -1.4712 -1.4579 -1.4533 -0.3330 -0.3234 -0.2537 -0.2455 -0.1280 -0.1194 -0.0257 -0.0174 0.1445 0.1497 0.5776 0.5794 8.8243 8.8247 9.4572 9.4577 9.5390 9.5391 10.2827 10.2846 10.7416 10.7502 10.9870 10.9944 k = 0.0000 0.4174 0.9399 ( 6822 PWs) bands (ev): -20.0785 -20.0783 -20.0551 -20.0549 -17.7018 -17.6980 -17.6482 -17.6462 -17.2995 -17.2972 -17.2623 -17.2582 -17.2550 -17.2537 -17.2483 -17.2461 -7.8152 -7.8142 -7.5117 -7.5107 -6.5721 -6.5670 -6.2599 -6.2574 -5.2013 -5.1937 -5.1256 -5.1203 -4.9815 -4.9781 -4.8742 -4.8716 -2.5991 -2.5989 -2.5499 -2.5464 -2.4644 -2.4599 -2.3744 -2.3710 -1.9624 -1.9598 -1.7321 -1.7231 -1.5440 -1.5341 -1.4933 -1.4905 -1.4755 -1.4711 -1.4597 -1.4550 -0.3366 -0.3269 -0.2589 -0.2505 -0.1431 -0.1345 -0.0116 -0.0040 0.1371 0.1422 0.5726 0.5744 8.8546 8.8550 9.4948 9.4953 9.5561 9.5562 10.1969 10.1986 10.7520 10.7608 10.9957 11.0041 k = 0.0000 0.4435 0.9399 ( 6817 PWs) bands (ev): -20.0754 -20.0752 -20.0564 -20.0562 -17.6998 -17.6958 -17.6548 -17.6527 -17.2996 -17.2973 -17.2614 -17.2576 -17.2550 -17.2533 -17.2483 -17.2459 -7.7834 -7.7823 -7.5381 -7.5372 -6.5457 -6.5405 -6.2924 -6.2899 -5.1977 -5.1902 -5.1173 -5.1124 -4.9866 -4.9834 -4.8713 -4.8687 -2.6049 -2.6047 -2.5491 -2.5459 -2.4649 -2.4605 -2.3817 -2.3782 -1.9616 -1.9591 -1.7282 -1.7183 -1.5407 -1.5302 -1.4872 -1.4841 -1.4735 -1.4709 -1.4616 -1.4568 -0.3393 -0.3297 -0.2632 -0.2552 -0.1557 -0.1473 0.0037 0.0109 0.1275 0.1325 0.5693 0.5708 8.8839 8.8843 9.5140 9.5145 9.5929 9.5931 10.1087 10.1102 10.7615 10.7705 10.9990 11.0086 k = 0.0000 0.4696 0.9399 ( 6815 PWs) bands (ev): -20.0725 -20.0722 -20.0579 -20.0577 -17.6974 -17.6932 -17.6613 -17.6592 -17.2998 -17.2973 -17.2605 -17.2571 -17.2549 -17.2528 -17.2482 -17.2457 -7.7508 -7.7496 -7.5671 -7.5662 -6.5172 -6.5119 -6.3253 -6.3227 -5.1953 -5.1878 -5.1088 -5.1044 -4.9917 -4.9889 -4.8689 -4.8662 -2.6101 -2.6097 -2.5476 -2.5445 -2.4657 -2.4616 -2.3877 -2.3841 -1.9611 -1.9588 -1.7272 -1.7165 -1.5381 -1.5271 -1.4827 -1.4782 -1.4703 -1.4694 -1.4635 -1.4581 -0.3416 -0.3321 -0.2657 -0.2589 -0.1654 -0.1572 0.0198 0.0268 0.1157 0.1206 0.5674 0.5688 8.9113 8.9116 9.5214 9.5217 9.6424 9.6427 10.0209 10.0223 10.7698 10.7790 10.9962 11.0046 k = 0.0000 0.4957 0.9399 ( 6809 PWs) bands (ev): -20.0697 -20.0695 -20.0595 -20.0593 -17.6946 -17.6902 -17.6674 -17.6654 -17.2998 -17.2974 -17.2597 -17.2568 -17.2548 -17.2521 -17.2479 -17.2455 -7.7177 -7.7164 -7.5983 -7.5975 -6.4874 -6.4819 -6.3578 -6.3553 -5.1942 -5.1866 -5.1002 -5.0962 -4.9969 -4.9943 -4.8668 -4.8641 -2.6142 -2.6137 -2.5455 -2.5425 -2.4672 -2.4633 -2.3919 -2.3883 -1.9610 -1.9590 -1.7288 -1.7175 -1.5362 -1.5248 -1.4808 -1.4744 -1.4682 -1.4652 -1.4644 -1.4573 -0.3439 -0.3346 -0.2654 -0.2602 -0.1722 -0.1644 0.0365 0.0434 0.1020 0.1067 0.5671 0.5682 8.9349 8.9352 9.5245 9.5248 9.6960 9.6964 9.9370 9.9382 10.7767 10.7858 10.9881 10.9940 k = 0.0000 0.5218 0.9399 ( 6810 PWs) bands (ev): -20.0677 -20.0674 -20.0608 -20.0606 -17.6917 -17.6870 -17.6729 -17.6712 -17.2999 -17.2974 -17.2589 -17.2566 -17.2546 -17.2512 -17.2476 -17.2451 -7.6843 -7.6829 -7.6316 -7.6309 -6.4587 -6.4528 -6.3876 -6.3857 -5.1943 -5.1867 -5.0915 -5.0879 -5.0021 -4.9998 -4.8654 -4.8626 -2.6170 -2.6165 -2.5431 -2.5402 -2.4697 -2.4660 -2.3939 -2.3903 -1.9615 -1.9597 -1.7326 -1.7208 -1.5348 -1.5234 -1.4800 -1.4735 -1.4694 -1.4651 -1.4592 -1.4528 -0.3463 -0.3372 -0.2616 -0.2580 -0.1765 -0.1692 0.0534 0.0606 0.0869 0.0912 0.5681 0.5690 8.9527 8.9529 9.5257 9.5259 9.7480 9.7486 9.8631 9.8639 10.7819 10.7909 10.9766 10.9805 k = 0.0000 0.5479 0.9399 ( 6813 PWs) bands (ev): -20.0674 -20.0672 -20.0607 -20.0605 -17.6895 -17.6843 -17.6767 -17.6759 -17.2999 -17.2974 -17.2583 -17.2565 -17.2543 -17.2503 -17.2472 -17.2447 -7.6680 -7.6670 -7.6498 -7.6487 -6.4471 -6.4411 -6.3989 -6.3965 -5.1957 -5.1880 -5.0831 -5.0797 -5.0071 -5.0051 -4.8645 -4.8616 -2.6183 -2.6179 -2.5403 -2.5376 -2.4734 -2.4697 -2.3935 -2.3899 -1.9628 -1.9611 -1.7381 -1.7260 -1.5339 -1.5225 -1.4797 -1.4735 -1.4718 -1.4662 -1.4531 -1.4476 -0.3485 -0.3394 -0.2543 -0.2515 -0.1787 -0.1718 0.0634 0.0711 0.0788 0.0804 0.5702 0.5711 8.9616 8.9617 9.5255 9.5258 9.7624 9.7636 9.8376 9.8376 10.7851 10.7940 10.9632 10.9657 k = 0.0000 0.5479 0.9399 ( 6813 PWs) bands (ev): -20.0674 -20.0672 -20.0607 -20.0605 -17.6895 -17.6843 -17.6767 -17.6759 -17.2999 -17.2974 -17.2583 -17.2565 -17.2543 -17.2503 -17.2472 -17.2447 -7.6680 -7.6670 -7.6498 -7.6487 -6.4471 -6.4411 -6.3989 -6.3965 -5.1957 -5.1880 -5.0831 -5.0797 -5.0071 -5.0051 -4.8645 -4.8616 -2.6183 -2.6179 -2.5403 -2.5376 -2.4734 -2.4697 -2.3935 -2.3899 -1.9628 -1.9611 -1.7381 -1.7260 -1.5339 -1.5225 -1.4797 -1.4735 -1.4718 -1.4662 -1.4531 -1.4476 -0.3485 -0.3394 -0.2543 -0.2515 -0.1787 -0.1718 0.0634 0.0711 0.0788 0.0804 0.5702 0.5711 8.9616 8.9617 9.5255 9.5258 9.7624 9.7636 9.8376 9.8376 10.7851 10.7940 10.9632 10.9657 k = 0.0000 0.5607 0.9177 ( 6814 PWs) bands (ev): -20.0702 -20.0700 -20.0581 -20.0578 -17.6878 -17.6816 -17.6799 -17.6794 -17.3002 -17.2978 -17.2575 -17.2561 -17.2536 -17.2490 -17.2465 -17.2442 -7.6981 -7.6978 -7.6263 -7.6246 -6.4449 -6.4410 -6.3973 -6.3927 -5.1973 -5.1894 -5.0740 -5.0703 -5.0146 -5.0122 -4.8641 -4.8611 -2.6187 -2.6183 -2.5346 -2.5320 -2.4781 -2.4743 -2.3907 -2.3873 -1.9662 -1.9646 -1.7493 -1.7368 -1.5287 -1.5175 -1.4828 -1.4769 -1.4710 -1.4653 -1.4487 -1.4444 -0.3521 -0.3429 -0.2349 -0.2331 -0.1819 -0.1761 0.0533 0.0554 0.0888 0.0937 0.5749 0.5754 8.9647 8.9648 9.5222 9.5224 9.6994 9.7005 9.8986 9.8988 10.7875 10.7964 10.9338 10.9359 k = 0.0000 0.5736 0.8956 ( 6810 PWs) bands (ev): -20.0731 -20.0729 -20.0557 -20.0554 -17.6900 -17.6862 -17.6777 -17.6758 -17.3005 -17.2982 -17.2568 -17.2557 -17.2527 -17.2478 -17.2457 -17.2435 -7.7341 -7.7338 -7.5992 -7.5973 -6.4685 -6.4656 -6.3679 -6.3631 -5.1994 -5.1912 -5.0654 -5.0612 -5.0223 -5.0193 -4.8643 -4.8612 -2.6182 -2.6178 -2.5290 -2.5266 -2.4819 -2.4781 -2.3866 -2.3833 -1.9701 -1.9685 -1.7614 -1.7486 -1.5247 -1.5140 -1.4868 -1.4814 -1.4709 -1.4653 -1.4445 -1.4412 -0.3527 -0.3433 -0.2140 -0.2134 -0.1823 -0.1792 0.0382 0.0392 0.1012 0.1074 0.5813 0.5816 8.9593 8.9595 9.5176 9.5178 9.6376 9.6385 9.9680 9.9684 10.7882 10.7968 10.9027 10.9047 k = 0.0000 0.5864 0.8734 ( 6802 PWs) bands (ev): -20.0761 -20.0760 -20.0535 -20.0533 -17.6936 -17.6906 -17.6739 -17.6715 -17.3007 -17.2985 -17.2562 -17.2553 -17.2517 -17.2467 -17.2445 -17.2427 -7.7700 -7.7696 -7.5742 -7.5723 -6.4934 -6.4908 -6.3359 -6.3311 -5.2018 -5.1934 -5.0576 -5.0528 -5.0300 -5.0260 -4.8651 -4.8618 -2.6170 -2.6167 -2.5234 -2.5214 -2.4847 -2.4808 -2.3810 -2.3780 -1.9744 -1.9728 -1.7744 -1.7614 -1.5217 -1.5117 -1.4916 -1.4868 -1.4714 -1.4664 -1.4407 -1.4382 -0.3503 -0.3407 -0.2019 -0.1949 -0.1767 -0.1727 0.0232 0.0238 0.1121 0.1189 0.5896 0.5899 8.9477 8.9480 9.5118 9.5120 9.5772 9.5781 10.0432 10.0437 10.7869 10.7952 10.8710 10.8728 k = 0.0000 0.5993 0.8513 ( 6812 PWs) bands (ev): -20.0792 -20.0790 -20.0517 -20.0514 -17.6971 -17.6944 -17.6696 -17.6671 -17.3010 -17.2988 -17.2557 -17.2549 -17.2506 -17.2458 -17.2431 -17.2418 -7.8051 -7.8047 -7.5519 -7.5499 -6.5168 -6.5142 -6.3040 -6.2993 -5.2044 -5.1959 -5.0523 -5.0461 -5.0365 -5.0306 -4.8663 -4.8629 -2.6154 -2.6150 -2.5181 -2.5165 -2.4863 -2.4823 -2.3742 -2.3714 -1.9790 -1.9774 -1.7884 -1.7752 -1.5197 -1.5104 -1.4970 -1.4927 -1.4729 -1.4689 -1.4373 -1.4355 -0.3449 -0.3352 -0.2003 -0.1917 -0.1568 -0.1505 0.0089 0.0097 0.1208 0.1280 0.5998 0.6002 8.9319 8.9322 9.5047 9.5048 9.5189 9.5198 10.1214 10.1221 10.7829 10.7905 10.8401 10.8420 k = 0.0000 0.6121 0.8291 ( 6820 PWs) bands (ev): -20.0823 -20.0821 -20.0501 -20.0498 -17.7003 -17.6978 -17.6652 -17.6627 -17.3012 -17.2992 -17.2552 -17.2545 -17.2494 -17.2449 -17.2415 -17.2406 -7.8392 -7.8387 -7.5323 -7.5303 -6.5378 -6.5352 -6.2729 -6.2683 -5.2071 -5.1985 -5.0533 -5.0484 -5.0345 -5.0292 -4.8680 -4.8644 -2.6135 -2.6132 -2.5131 -2.5118 -2.4867 -2.4827 -2.3662 -2.3636 -1.9839 -1.9824 -1.8033 -1.7900 -1.5185 -1.5100 -1.5026 -1.4990 -1.4753 -1.4727 -1.4342 -1.4328 -0.3366 -0.3268 -0.2015 -0.1935 -0.1310 -0.1241 -0.0044 -0.0025 0.1270 0.1346 0.6118 0.6124 8.9133 8.9137 9.4612 9.4619 9.4982 9.4984 10.2002 10.2011 10.7728 10.7788 10.8137 10.8170 k = 0.0000 0.6250 0.8070 ( 6812 PWs) bands (ev): -20.0853 -20.0852 -20.0487 -20.0484 -17.7031 -17.7008 -17.6607 -17.6583 -17.3015 -17.2995 -17.2548 -17.2542 -17.2483 -17.2441 -17.2398 -17.2393 -7.8721 -7.8716 -7.5155 -7.5134 -6.5563 -6.5538 -6.2428 -6.2383 -5.2099 -5.2011 -5.0596 -5.0557 -5.0276 -5.0232 -4.8700 -4.8663 -2.6116 -2.6112 -2.5083 -2.5075 -2.4856 -2.4816 -2.3571 -2.3546 -1.9892 -1.9877 -1.8191 -1.8058 -1.5187 -1.5103 -1.5078 -1.5050 -1.4787 -1.4778 -1.4312 -1.4303 -0.3257 -0.3158 -0.2032 -0.1957 -0.1060 -0.0976 -0.0150 -0.0112 0.1307 0.1386 0.6256 0.6263 8.8931 8.8935 9.4067 9.4073 9.4902 9.4904 10.2774 10.2784 10.7512 10.7554 10.7977 10.8032 k = 0.0000 0.6379 0.7849 ( 6813 PWs) bands (ev): -20.0884 -20.0883 -20.0475 -20.0473 -17.7055 -17.7033 -17.6563 -17.6540 -17.3017 -17.2998 -17.2544 -17.2538 -17.2472 -17.2433 -17.2381 -17.2378 -7.9037 -7.9032 -7.5014 -7.4994 -6.5723 -6.5698 -6.2139 -6.2096 -5.2125 -5.2038 -5.0675 -5.0638 -5.0203 -5.0160 -4.8724 -4.8686 -2.6099 -2.6094 -2.5039 -2.5033 -2.4833 -2.4792 -2.3469 -2.3447 -1.9947 -1.9933 -1.8357 -1.8225 -1.5212 -1.5139 -1.5108 -1.5092 -1.4841 -1.4829 -1.4285 -1.4277 -0.3125 -0.3025 -0.2048 -0.1977 -0.0869 -0.0763 -0.0188 -0.0126 0.1320 0.1401 0.6407 0.6415 8.8720 8.8724 9.3544 9.3550 9.4820 9.4822 10.3504 10.3516 10.7221 10.7259 10.7892 10.7954 k = 0.0000 0.6507 0.7627 ( 6818 PWs) bands (ev): -20.0913 -20.0912 -20.0465 -20.0463 -17.7076 -17.7056 -17.6520 -17.6499 -17.3019 -17.3002 -17.2540 -17.2535 -17.2461 -17.2426 -17.2365 -17.2361 -7.9337 -7.9333 -7.4901 -7.4880 -6.5856 -6.5832 -6.1863 -6.1822 -5.2150 -5.2063 -5.0759 -5.0722 -5.0130 -5.0086 -4.8752 -4.8712 -2.6085 -2.6079 -2.4998 -2.4993 -2.4796 -2.4753 -2.3358 -2.3337 -2.0006 -1.9992 -1.8531 -1.8401 -1.5257 -1.5202 -1.5126 -1.5105 -1.4914 -1.4875 -1.4259 -1.4252 -0.2971 -0.2871 -0.2061 -0.1995 -0.0797 -0.0694 -0.0072 -0.0012 0.1310 0.1392 0.6570 0.6578 8.8509 8.8513 9.3047 9.3052 9.4736 9.4738 10.4164 10.4178 10.6922 10.6958 10.7828 10.7890 k = 0.0000 0.6636 0.7406 ( 6816 PWs) bands (ev): -20.0942 -20.0941 -20.0457 -20.0455 -17.7094 -17.7075 -17.6479 -17.6459 -17.3021 -17.3005 -17.2536 -17.2531 -17.2451 -17.2418 -17.2348 -17.2343 -7.9621 -7.9617 -7.4812 -7.4793 -6.5964 -6.5941 -6.1603 -6.1564 -5.2172 -5.2085 -5.0846 -5.0807 -5.0058 -5.0014 -4.8782 -4.8741 -2.6074 -2.6068 -2.4960 -2.4956 -2.4746 -2.4699 -2.3238 -2.3220 -2.0068 -2.0055 -1.8709 -1.8582 -1.5310 -1.5267 -1.5153 -1.5108 -1.4994 -1.4921 -1.4235 -1.4228 -0.2801 -0.2701 -0.2072 -0.2008 -0.0827 -0.0746 0.0169 0.0209 0.1278 0.1361 0.6740 0.6748 8.8300 8.8304 9.2578 9.2582 9.4652 9.4654 10.4720 10.4736 10.6649 10.6684 10.7768 10.7827 k = 0.0000 0.6764 0.7184 ( 6810 PWs) bands (ev): -20.0969 -20.0969 -20.0451 -20.0449 -17.7109 -17.7091 -17.6439 -17.6421 -17.3022 -17.3007 -17.2533 -17.2528 -17.2441 -17.2411 -17.2331 -17.2325 -7.9887 -7.9883 -7.4747 -7.4728 -6.6049 -6.6026 -6.1359 -6.1321 -5.2191 -5.2104 -5.0933 -5.0892 -4.9989 -4.9944 -4.8815 -4.8773 -2.6068 -2.6061 -2.4925 -2.4921 -2.4685 -2.4633 -2.3111 -2.3094 -2.0134 -2.0122 -1.8892 -1.8769 -1.5365 -1.5333 -1.5192 -1.5109 -1.5076 -1.4959 -1.4212 -1.4205 -0.2616 -0.2516 -0.2078 -0.2019 -0.0901 -0.0834 0.0447 0.0473 0.1227 0.1310 0.6914 0.6921 8.8099 8.8103 9.2138 9.2142 9.4569 9.4571 10.5118 10.5134 10.6450 10.6484 10.7706 10.7763 k = 0.0000 0.6893 0.6963 ( 6814 PWs) bands (ev): -20.0995 -20.0995 -20.0446 -20.0444 -17.7121 -17.7105 -17.6402 -17.6385 -17.3024 -17.3010 -17.2530 -17.2525 -17.2432 -17.2405 -17.2315 -17.2308 -8.0134 -8.0130 -7.4702 -7.4684 -6.6113 -6.6091 -6.1132 -6.1097 -5.2204 -5.2119 -5.1019 -5.0978 -4.9922 -4.9876 -4.8849 -4.8807 -2.6064 -2.6058 -2.4894 -2.4890 -2.4611 -2.4556 -2.2978 -2.2963 -2.0204 -2.0193 -1.9076 -1.8958 -1.5420 -1.5399 -1.5240 -1.5165 -1.5104 -1.4989 -1.4190 -1.4183 -0.2420 -0.2323 -0.2079 -0.2025 -0.0988 -0.0931 0.0730 0.0744 0.1159 0.1240 0.7087 0.7094 8.7908 8.7912 9.1730 9.1733 9.4489 9.4491 10.5282 10.5292 10.6400 10.6429 10.7644 10.7697 k = 0.0000 0.7021 0.6741 ( 6816 PWs) bands (ev): -20.1020 -20.1019 -20.0441 -20.0440 -17.7131 -17.7117 -17.6368 -17.6353 -17.3025 -17.3013 -17.2527 -17.2523 -17.2423 -17.2398 -17.2298 -17.2291 -8.0361 -8.0357 -7.4675 -7.4658 -6.6157 -6.6138 -6.0923 -6.0890 -5.2213 -5.2130 -5.1105 -5.1063 -4.9858 -4.9811 -4.8886 -4.8842 -2.6064 -2.6058 -2.4867 -2.4862 -2.4527 -2.4469 -2.2840 -2.2826 -2.0278 -2.0268 -1.9259 -1.9147 -1.5475 -1.5466 -1.5292 -1.5245 -1.5103 -1.5010 -1.4169 -1.4163 -0.2221 -0.2144 -0.2053 -0.2024 -0.1078 -0.1026 0.0989 0.1003 0.1094 0.1154 0.7255 0.7262 8.7730 8.7733 9.1354 9.1357 9.4413 9.4414 10.5214 10.5219 10.6495 10.6520 10.7581 10.7631 k = 0.0000 0.7150 0.6520 ( 6816 PWs) bands (ev): -20.1042 -20.1042 -20.0438 -20.0437 -17.7139 -17.7126 -17.6336 -17.6323 -17.3027 -17.3015 -17.2524 -17.2521 -17.2414 -17.2393 -17.2282 -17.2276 -8.0566 -8.0563 -7.4661 -7.4646 -6.6187 -6.6169 -6.0733 -6.0703 -5.2216 -5.2135 -5.1190 -5.1146 -4.9796 -4.9749 -4.8923 -4.8879 -2.6067 -2.6061 -2.4844 -2.4839 -2.4435 -2.4377 -2.2698 -2.2686 -2.0357 -2.0348 -1.9438 -1.9333 -1.5533 -1.5532 -1.5343 -1.5318 -1.5101 -1.5025 -1.4150 -1.4144 -0.2101 -0.2061 -0.1969 -0.1888 -0.1164 -0.1116 0.0956 0.1050 0.1261 0.1279 0.7416 0.7423 8.7567 8.7570 9.1014 9.1016 9.4341 9.4342 10.5034 10.5041 10.6623 10.6648 10.7519 10.7565 k = 0.0000 0.7279 0.6298 ( 6813 PWs) bands (ev): -20.1062 -20.1062 -20.0436 -20.0434 -17.7146 -17.7134 -17.6308 -17.6296 -17.3027 -17.3018 -17.2522 -17.2518 -17.2406 -17.2388 -17.2267 -17.2261 -8.0750 -8.0746 -7.4659 -7.4645 -6.6204 -6.6188 -6.0563 -6.0536 -5.2212 -5.2135 -5.1272 -5.1227 -4.9737 -4.9690 -4.8962 -4.8918 -2.6070 -2.6065 -2.4825 -2.4819 -2.4339 -2.4282 -2.2555 -2.2544 -2.0440 -2.0432 -1.9611 -1.9513 -1.5600 -1.5590 -1.5390 -1.5379 -1.5099 -1.5037 -1.4133 -1.4127 -0.2088 -0.2040 -0.1777 -0.1682 -0.1244 -0.1197 0.0843 0.0934 0.1498 0.1509 0.7566 0.7572 8.7420 8.7422 9.0709 9.0712 9.4276 9.4277 10.4827 10.4836 10.6724 10.6749 10.7459 10.7502 k = 0.0000 0.7407 0.6077 ( 6815 PWs) bands (ev): -20.1080 -20.1080 -20.0434 -20.0433 -17.7151 -17.7141 -17.6283 -17.6272 -17.3028 -17.3020 -17.2519 -17.2517 -17.2399 -17.2383 -17.2254 -17.2248 -8.0910 -8.0907 -7.4663 -7.4652 -6.6211 -6.6197 -6.0414 -6.0390 -5.2203 -5.2130 -5.1350 -5.1306 -4.9680 -4.9634 -4.9000 -4.8957 -2.6075 -2.6071 -2.4808 -2.4803 -2.4242 -2.4187 -2.2412 -2.2402 -2.0526 -2.0520 -1.9772 -1.9684 -1.5665 -1.5651 -1.5432 -1.5425 -1.5097 -1.5046 -1.4118 -1.4113 -0.2078 -0.2033 -0.1575 -0.1482 -0.1309 -0.1258 0.0715 0.0805 0.1710 0.1719 0.7703 0.7707 8.7290 8.7292 9.0443 9.0445 9.4217 9.4218 10.4627 10.4635 10.6788 10.6814 10.7402 10.7442 k = 0.0000 0.7536 0.5855 ( 6809 PWs) bands (ev): -20.1095 -20.1095 -20.0433 -20.0432 -17.7154 -17.7146 -17.6261 -17.6252 -17.3029 -17.3022 -17.2517 -17.2515 -17.2393 -17.2379 -17.2242 -17.2237 -8.1047 -8.1045 -7.4673 -7.4663 -6.6212 -6.6201 -6.0286 -6.0266 -5.2188 -5.2120 -5.1423 -5.1380 -4.9627 -4.9582 -4.9038 -4.8995 -2.6080 -2.6076 -2.4795 -2.4790 -2.4148 -2.4098 -2.2271 -2.2262 -2.0616 -2.0611 -1.9919 -1.9842 -1.5724 -1.5709 -1.5468 -1.5460 -1.5095 -1.5054 -1.4105 -1.4100 -0.2066 -0.2025 -0.1446 -0.1401 -0.1280 -0.1202 0.0574 0.0664 0.1895 0.1902 0.7822 0.7826 8.7178 8.7180 9.0215 9.0217 9.4166 9.4167 10.4446 10.4453 10.6822 10.6846 10.7351 10.7386 k = 0.0000 0.7664 0.5634 ( 6790 PWs) bands (ev): -20.1108 -20.1108 -20.0432 -20.0431 -17.7157 -17.7150 -17.6243 -17.6236 -17.3029 -17.3023 -17.2516 -17.2514 -17.2387 -17.2376 -17.2232 -17.2228 -8.1160 -8.1158 -7.4684 -7.4676 -6.6209 -6.6200 -6.0180 -6.0164 -5.2169 -5.2108 -5.1489 -5.1448 -4.9577 -4.9535 -4.9074 -4.9034 -2.6084 -2.6082 -2.4784 -2.4780 -2.4060 -2.4017 -2.2137 -2.2129 -2.0705 -2.0702 -2.0047 -1.9982 -1.5776 -1.5762 -1.5495 -1.5486 -1.5092 -1.5061 -1.4093 -1.4090 -0.2052 -0.2016 -0.1470 -0.1441 -0.1100 -0.1009 0.0423 0.0513 0.2050 0.2055 0.7924 0.7927 8.7086 8.7088 9.0027 9.0028 9.4123 9.4124 10.4291 10.4298 10.6835 10.6857 10.7307 10.7337 k = 0.0000 0.7793 0.5412 ( 6790 PWs) bands (ev): -20.1118 -20.1118 -20.0431 -20.0431 -17.7159 -17.7154 -17.6229 -17.6223 -17.3029 -17.3025 -17.2514 -17.2513 -17.2382 -17.2374 -17.2223 -17.2220 -8.1248 -8.1246 -7.4694 -7.4688 -6.6204 -6.6197 -6.0097 -6.0085 -5.2146 -5.2094 -5.1545 -5.1509 -4.9532 -4.9494 -4.9107 -4.9071 -2.6088 -2.6086 -2.4775 -2.4772 -2.3984 -2.3949 -2.2014 -2.2007 -2.0792 -2.0789 -2.0152 -2.0100 -1.5818 -1.5806 -1.5515 -1.5507 -1.5090 -1.5066 -1.4085 -1.4082 -0.2038 -0.2008 -0.1512 -0.1488 -0.0895 -0.0803 0.0262 0.0352 0.2173 0.2176 0.8004 0.8007 8.7014 8.7015 8.9880 8.9881 9.4089 9.4090 10.4167 10.4172 10.6838 10.6855 10.7272 10.7296 k = 0.0000 0.7921 0.5191 ( 6790 PWs) bands (ev): -20.1125 -20.1125 -20.0431 -20.0431 -17.7160 -17.7156 -17.6218 -17.6215 -17.3029 -17.3026 -17.2513 -17.2513 -17.2378 -17.2373 -17.2217 -17.2215 -8.1311 -8.1310 -7.4703 -7.4699 -6.6199 -6.6195 -6.0037 -6.0028 -5.2122 -5.2084 -5.1588 -5.1560 -4.9492 -4.9463 -4.9133 -4.9104 -2.6091 -2.6090 -2.4769 -2.4767 -2.3924 -2.3899 -2.1910 -2.1905 -2.0869 -2.0866 -2.0228 -2.0192 -1.5848 -1.5840 -1.5527 -1.5522 -1.5087 -1.5071 -1.4078 -1.4076 -0.2024 -0.2002 -0.1544 -0.1527 -0.0691 -0.0601 0.0093 0.0182 0.2261 0.2264 0.8063 0.8065 8.6962 8.6963 8.9774 8.9775 9.4065 9.4065 10.4077 10.4081 10.6836 10.6848 10.7248 10.7264 k = 0.0000 0.8050 0.4969 ( 6796 PWs) bands (ev): -20.1130 -20.1130 -20.0431 -20.0431 -17.7160 -17.7158 -17.6211 -17.6210 -17.3029 -17.3027 -17.2513 -17.2512 -17.2376 -17.2373 -17.2213 -17.2212 -8.1349 -8.1348 -7.4708 -7.4706 -6.6195 -6.6193 -6.0000 -5.9995 -5.2101 -5.2080 -5.1612 -5.1596 -4.9462 -4.9445 -4.9147 -4.9131 -2.6093 -2.6092 -2.4765 -2.4764 -2.3883 -2.3870 -2.1838 -2.1835 -2.0923 -2.0922 -2.0271 -2.0253 -1.5866 -1.5862 -1.5534 -1.5531 -1.5083 -1.5076 -1.4074 -1.4073 -0.2012 -0.2000 -0.1563 -0.1554 -0.0495 -0.0410 -0.0077 0.0007 0.2315 0.2317 0.8099 0.8100 8.6931 8.6931 8.9711 8.9711 9.4050 9.4050 10.4023 10.4025 10.6834 10.6841 10.7234 10.7242 k = 0.0000 0.8179 0.4748 ( 6800 PWs) bands (ev): -20.1131 -20.1131 -20.0431 -20.0431 -17.7159 -17.7159 -17.6209 -17.6209 -17.3028 -17.3028 -17.2512 -17.2512 -17.2374 -17.2374 -17.2211 -17.2211 -8.1361 -8.1361 -7.4710 -7.4710 -6.6193 -6.6193 -5.9986 -5.9986 -5.2086 -5.2086 -5.1615 -5.1615 -4.9445 -4.9445 -4.9147 -4.9147 -2.6093 -2.6093 -2.4764 -2.4764 -2.3865 -2.3865 -2.1811 -2.1811 -2.0944 -2.0944 -2.0280 -2.0280 -1.5871 -1.5871 -1.5536 -1.5536 -1.5080 -1.5080 -1.4072 -1.4072 -0.2004 -0.2004 -0.1567 -0.1567 -0.0332 -0.0332 -0.0149 -0.0149 0.2334 0.2334 0.8111 0.8111 8.6921 8.6921 8.9690 8.9690 9.4045 9.4045 10.4005 10.4005 10.6836 10.6836 10.7232 10.7232 k = 0.0000 0.8179 0.4748 ( 6800 PWs) bands (ev): -20.1131 -20.1131 -20.0431 -20.0431 -17.7159 -17.7159 -17.6209 -17.6209 -17.3028 -17.3028 -17.2512 -17.2512 -17.2374 -17.2374 -17.2211 -17.2211 -8.1361 -8.1361 -7.4710 -7.4710 -6.6193 -6.6193 -5.9986 -5.9986 -5.2086 -5.2086 -5.1615 -5.1615 -4.9445 -4.9445 -4.9147 -4.9147 -2.6093 -2.6093 -2.4764 -2.4764 -2.3865 -2.3865 -2.1811 -2.1811 -2.0944 -2.0944 -2.0280 -2.0280 -1.5871 -1.5871 -1.5536 -1.5536 -1.5080 -1.5080 -1.4072 -1.4072 -0.2004 -0.2004 -0.1567 -0.1567 -0.0332 -0.0332 -0.0149 -0.0149 0.2334 0.2334 0.8111 0.8111 8.6921 8.6921 8.9690 8.9690 9.4045 9.4045 10.4005 10.4005 10.6836 10.6836 10.7232 10.7232 k = 0.0263 0.8179 0.4748 ( 6796 PWs) bands (ev): -20.1130 -20.1130 -20.0432 -20.0432 -17.7158 -17.7158 -17.6210 -17.6210 -17.3027 -17.3027 -17.2513 -17.2513 -17.2374 -17.2373 -17.2212 -17.2212 -8.1354 -8.1354 -7.4731 -7.4731 -6.6172 -6.6172 -5.9992 -5.9991 -5.2082 -5.2082 -5.1611 -5.1611 -4.9450 -4.9449 -4.9151 -4.9151 -2.6092 -2.6092 -2.4767 -2.4767 -2.3856 -2.3856 -2.1806 -2.1806 -2.0942 -2.0942 -2.0281 -2.0281 -1.5871 -1.5869 -1.5545 -1.5543 -1.5094 -1.5093 -1.4079 -1.4078 -0.1995 -0.1995 -0.1558 -0.1558 -0.0332 -0.0332 -0.0145 -0.0145 0.2341 0.2341 0.8100 0.8100 8.6927 8.6927 8.9700 8.9700 9.4030 9.4030 10.3946 10.3947 10.6856 10.6858 10.7234 10.7235 k = 0.0526 0.8179 0.4748 ( 6794 PWs) bands (ev): -20.1127 -20.1127 -20.0436 -20.0436 -17.7153 -17.7153 -17.6216 -17.6215 -17.3024 -17.3024 -17.2516 -17.2515 -17.2373 -17.2372 -17.2213 -17.2212 -8.1332 -8.1332 -7.4794 -7.4794 -6.6109 -6.6109 -6.0009 -6.0009 -5.2071 -5.2071 -5.1599 -5.1599 -4.9464 -4.9463 -4.9164 -4.9164 -2.6087 -2.6087 -2.4777 -2.4776 -2.3831 -2.3831 -2.1793 -2.1793 -2.0938 -2.0938 -2.0283 -2.0283 -1.5872 -1.5867 -1.5572 -1.5567 -1.5135 -1.5133 -1.4097 -1.4095 -0.1971 -0.1971 -0.1531 -0.1531 -0.0334 -0.0333 -0.0133 -0.0132 0.2361 0.2362 0.8068 0.8068 8.6948 8.6948 8.9732 8.9732 9.3984 9.3984 10.3776 10.3778 10.6912 10.6916 10.7238 10.7240 k = 0.0789 0.8179 0.4748 ( 6800 PWs) bands (ev): -20.1121 -20.1121 -20.0442 -20.0442 -17.7146 -17.7145 -17.6224 -17.6224 -17.3019 -17.3019 -17.2520 -17.2518 -17.2372 -17.2370 -17.2214 -17.2214 -8.1294 -8.1294 -7.4897 -7.4897 -6.6007 -6.6007 -6.0038 -6.0038 -5.2052 -5.2052 -5.1580 -5.1579 -4.9488 -4.9487 -4.9186 -4.9186 -2.6079 -2.6079 -2.4793 -2.4792 -2.3789 -2.3789 -2.1772 -2.1771 -2.0932 -2.0931 -2.0288 -2.0287 -1.5875 -1.5867 -1.5614 -1.5605 -1.5202 -1.5200 -1.4126 -1.4123 -0.1932 -0.1932 -0.1488 -0.1488 -0.0336 -0.0336 -0.0113 -0.0112 0.2396 0.2397 0.8015 0.8015 8.6981 8.6981 8.9783 8.9784 9.3911 9.3912 10.3514 10.3517 10.6989 10.6995 10.7242 10.7245 k = 0.1053 0.8179 0.4748 ( 6802 PWs) bands (ev): -20.1113 -20.1113 -20.0450 -20.0450 -17.7135 -17.7135 -17.6236 -17.6236 -17.3012 -17.3012 -17.2525 -17.2523 -17.2371 -17.2368 -17.2216 -17.2216 -8.1242 -8.1242 -7.5036 -7.5036 -6.5869 -6.5869 -6.0079 -6.0078 -5.2026 -5.2026 -5.1553 -5.1551 -4.9521 -4.9519 -4.9217 -4.9216 -2.6068 -2.6068 -2.4815 -2.4814 -2.3730 -2.3730 -2.1743 -2.1742 -2.0922 -2.0921 -2.0293 -2.0292 -1.5883 -1.5870 -1.5667 -1.5654 -1.5292 -1.5290 -1.4165 -1.4162 -0.1879 -0.1879 -0.1429 -0.1429 -0.0340 -0.0339 -0.0086 -0.0085 0.2445 0.2446 0.7941 0.7941 8.7028 8.7028 8.9852 8.9853 9.3816 9.3817 10.3178 10.3181 10.7070 10.7077 10.7243 10.7246 k = 0.1316 0.8179 0.4748 ( 6804 PWs) bands (ev): -20.1103 -20.1103 -20.0461 -20.0461 -17.7122 -17.7121 -17.6251 -17.6251 -17.3003 -17.3003 -17.2532 -17.2529 -17.2368 -17.2366 -17.2219 -17.2218 -8.1176 -8.1175 -7.5207 -7.5207 -6.5700 -6.5699 -6.0132 -6.0131 -5.1992 -5.1992 -5.1518 -5.1516 -4.9564 -4.9561 -4.9255 -4.9255 -2.6054 -2.6053 -2.4842 -2.4841 -2.3656 -2.3656 -2.1707 -2.1706 -2.0910 -2.0909 -2.0301 -2.0300 -1.5906 -1.5888 -1.5721 -1.5702 -1.5403 -1.5401 -1.4214 -1.4210 -0.1814 -0.1814 -0.1356 -0.1355 -0.0346 -0.0345 -0.0053 -0.0052 0.2509 0.2510 0.7846 0.7846 8.7088 8.7089 8.9936 8.9936 9.3705 9.3706 10.2786 10.2790 10.7137 10.7146 10.7241 10.7245 k = 0.1579 0.8179 0.4748 ( 6814 PWs) bands (ev): -20.1090 -20.1090 -20.0474 -20.0474 -17.7105 -17.7105 -17.6270 -17.6269 -17.2993 -17.2992 -17.2540 -17.2537 -17.2366 -17.2362 -17.2222 -17.2221 -8.1094 -8.1094 -7.5406 -7.5406 -6.5504 -6.5503 -6.0197 -6.0196 -5.1952 -5.1951 -5.1476 -5.1474 -4.9615 -4.9612 -4.9302 -4.9301 -2.6036 -2.6036 -2.4875 -2.4874 -2.3567 -2.3566 -2.1666 -2.1665 -2.0896 -2.0895 -2.0310 -2.0309 -1.5956 -1.5938 -1.5761 -1.5741 -1.5528 -1.5525 -1.4271 -1.4267 -0.1738 -0.1738 -0.1270 -0.1269 -0.0353 -0.0352 -0.0017 -0.0015 0.2588 0.2590 0.7732 0.7732 8.7162 8.7162 9.0029 9.0029 9.3588 9.3588 10.2351 10.2354 10.7170 10.7179 10.7251 10.7256 k = 0.1842 0.8179 0.4748 ( 6814 PWs) bands (ev): -20.1076 -20.1076 -20.0490 -20.0490 -17.7086 -17.7086 -17.6291 -17.6291 -17.2980 -17.2980 -17.2549 -17.2546 -17.2363 -17.2359 -17.2225 -17.2224 -8.0998 -8.0998 -7.5627 -7.5627 -6.5285 -6.5284 -6.0274 -6.0273 -5.1903 -5.1903 -5.1428 -5.1425 -4.9674 -4.9670 -4.9356 -4.9355 -2.6015 -2.6014 -2.4912 -2.4911 -2.3463 -2.3463 -2.1621 -2.1620 -2.0879 -2.0878 -2.0321 -2.0319 -1.6037 -1.6022 -1.5803 -1.5787 -1.5641 -1.5637 -1.4334 -1.4331 -0.1655 -0.1654 -0.1174 -0.1172 -0.0362 -0.0362 0.0023 0.0024 0.2684 0.2685 0.7599 0.7599 8.7248 8.7248 9.0125 9.0125 9.3473 9.3474 10.1883 10.1886 10.7158 10.7167 10.7276 10.7282 k = 0.2105 0.8179 0.4748 ( 6806 PWs) bands (ev): -20.1060 -20.1060 -20.0507 -20.0507 -17.7064 -17.7064 -17.6315 -17.6315 -17.2966 -17.2965 -17.2559 -17.2556 -17.2359 -17.2355 -17.2230 -17.2228 -8.0888 -8.0888 -7.5867 -7.5866 -6.5049 -6.5048 -6.0364 -6.0363 -5.1848 -5.1847 -5.1372 -5.1368 -4.9741 -4.9737 -4.9418 -4.9416 -2.5991 -2.5990 -2.4953 -2.4951 -2.3346 -2.3345 -2.1574 -2.1573 -2.0860 -2.0859 -2.0333 -2.0331 -1.6139 -1.6127 -1.5911 -1.5902 -1.5687 -1.5680 -1.4404 -1.4400 -0.1565 -0.1565 -0.1069 -0.1067 -0.0374 -0.0373 0.0062 0.0064 0.2795 0.2797 0.7448 0.7449 8.7346 8.7346 9.0214 9.0215 9.3376 9.3377 10.1390 10.1392 10.7126 10.7135 10.7294 10.7301 k = 0.2368 0.8179 0.4748 ( 6818 PWs) bands (ev): -20.1041 -20.1041 -20.0526 -20.0526 -17.7040 -17.7040 -17.6342 -17.6341 -17.2951 -17.2950 -17.2571 -17.2568 -17.2355 -17.2351 -17.2234 -17.2233 -8.0764 -8.0764 -7.6120 -7.6120 -6.4800 -6.4798 -6.0467 -6.0466 -5.1785 -5.1785 -5.1310 -5.1306 -4.9816 -4.9811 -4.9486 -4.9484 -2.5963 -2.5962 -2.4997 -2.4996 -2.3217 -2.3216 -2.1527 -2.1527 -2.0840 -2.0838 -2.0348 -2.0345 -1.6255 -1.6245 -1.6069 -1.6062 -1.5684 -1.5677 -1.4478 -1.4474 -0.1473 -0.1472 -0.0958 -0.0956 -0.0387 -0.0386 0.0100 0.0102 0.2923 0.2925 0.7281 0.7281 8.7457 8.7457 9.0286 9.0286 9.3310 9.3311 10.0878 10.0880 10.7085 10.7094 10.7295 10.7303 k = 0.2632 0.8179 0.4748 ( 6818 PWs) bands (ev): -20.1021 -20.1021 -20.0547 -20.0547 -17.7014 -17.7013 -17.6371 -17.6370 -17.2934 -17.2933 -17.2585 -17.2581 -17.2350 -17.2346 -17.2239 -17.2237 -8.0626 -8.0626 -7.6385 -7.6385 -6.4540 -6.4539 -6.0583 -6.0582 -5.1716 -5.1715 -5.1243 -5.1238 -4.9897 -4.9891 -4.9560 -4.9558 -2.5932 -2.5931 -2.5045 -2.5043 -2.3076 -2.3076 -2.1483 -2.1482 -2.0817 -2.0816 -2.0363 -2.0361 -1.6378 -1.6370 -1.6242 -1.6235 -1.5664 -1.5658 -1.4555 -1.4552 -0.1379 -0.1378 -0.0844 -0.0842 -0.0402 -0.0400 0.0135 0.0137 0.3068 0.3071 0.7097 0.7097 8.7580 8.7580 9.0326 9.0326 9.3293 9.3294 10.0354 10.0356 10.7041 10.7050 10.7281 10.7289 k = 0.2895 0.8179 0.4748 ( 6820 PWs) bands (ev): -20.1000 -20.1000 -20.0570 -20.0570 -17.6985 -17.6984 -17.6402 -17.6402 -17.2916 -17.2915 -17.2599 -17.2596 -17.2345 -17.2341 -17.2244 -17.2242 -8.0474 -8.0474 -7.6657 -7.6656 -6.4274 -6.4273 -6.0712 -6.0710 -5.1640 -5.1639 -5.1170 -5.1164 -4.9984 -4.9977 -4.9639 -4.9637 -2.5898 -2.5896 -2.5094 -2.5093 -2.2927 -2.2926 -2.1445 -2.1443 -2.0793 -2.0791 -2.0381 -2.0378 -1.6505 -1.6499 -1.6417 -1.6410 -1.5636 -1.5632 -1.4635 -1.4632 -0.1286 -0.1285 -0.0730 -0.0727 -0.0419 -0.0416 0.0164 0.0166 0.3230 0.3232 0.6899 0.6899 8.7714 8.7715 9.0324 9.0325 9.3336 9.3337 9.9822 9.9824 10.6996 10.7005 10.7252 10.7261 k = 0.3158 0.8179 0.4748 ( 6818 PWs) bands (ev): -20.0977 -20.0977 -20.0594 -20.0594 -17.6954 -17.6954 -17.6435 -17.6435 -17.2897 -17.2896 -17.2615 -17.2611 -17.2339 -17.2336 -17.2250 -17.2248 -8.0309 -8.0309 -7.6933 -7.6933 -6.4005 -6.4003 -6.0854 -6.0852 -5.1558 -5.1557 -5.1093 -5.1086 -5.0077 -5.0068 -4.9724 -4.9721 -2.5860 -2.5859 -2.5146 -2.5144 -2.2770 -2.2769 -2.1414 -2.1413 -2.0767 -2.0766 -2.0400 -2.0397 -1.6634 -1.6627 -1.6586 -1.6579 -1.5603 -1.5599 -1.4715 -1.4713 -0.1195 -0.1194 -0.0620 -0.0615 -0.0434 -0.0430 0.0186 0.0188 0.3408 0.3410 0.6688 0.6688 8.7860 8.7860 9.0276 9.0276 9.3448 9.3449 9.9287 9.9289 10.6954 10.6963 10.7213 10.7222 k = 0.3421 0.8179 0.4748 ( 6824 PWs) bands (ev): -20.0952 -20.0952 -20.0619 -20.0619 -17.6921 -17.6921 -17.6470 -17.6470 -17.2877 -17.2876 -17.2631 -17.2628 -17.2334 -17.2330 -17.2256 -17.2254 -8.0131 -8.0131 -7.7211 -7.7211 -6.3734 -6.3733 -6.1009 -6.1007 -5.1471 -5.1469 -5.1013 -5.1004 -5.0173 -5.0162 -4.9813 -4.9809 -2.5820 -2.5818 -2.5200 -2.5198 -2.2607 -2.2607 -2.1396 -2.1395 -2.0740 -2.0739 -2.0421 -2.0418 -1.6763 -1.6757 -1.6740 -1.6733 -1.5565 -1.5562 -1.4796 -1.4794 -0.1108 -0.1107 -0.0536 -0.0527 -0.0432 -0.0425 0.0200 0.0202 0.3601 0.3602 0.6465 0.6466 8.8016 8.8016 9.0182 9.0182 9.3629 9.3630 9.8752 9.8753 10.6917 10.6926 10.7166 10.7175 k = 0.3684 0.8179 0.4748 ( 6822 PWs) bands (ev): -20.0927 -20.0927 -20.0645 -20.0645 -17.6887 -17.6887 -17.6506 -17.6506 -17.2856 -17.2855 -17.2649 -17.2646 -17.2328 -17.2324 -17.2262 -17.2260 -7.9941 -7.9940 -7.7489 -7.7489 -6.3465 -6.3464 -6.1177 -6.1175 -5.1379 -5.1376 -5.0931 -5.0919 -5.0272 -5.0258 -4.9905 -4.9901 -2.5777 -2.5775 -2.5254 -2.5252 -2.2443 -2.2442 -2.1394 -2.1393 -2.0713 -2.0712 -2.0443 -2.0440 -1.6895 -1.6894 -1.6863 -1.6861 -1.5522 -1.5520 -1.4876 -1.4874 -0.1026 -0.1025 -0.0521 -0.0515 -0.0362 -0.0357 0.0204 0.0206 0.3807 0.3809 0.6233 0.6234 8.8182 8.8182 9.0051 9.0051 9.3872 9.3872 9.8221 9.8223 10.6887 10.6897 10.7114 10.7124 k = 0.3947 0.8179 0.4748 ( 6824 PWs) bands (ev): -20.0900 -20.0900 -20.0673 -20.0673 -17.6851 -17.6851 -17.6544 -17.6543 -17.2835 -17.2834 -17.2668 -17.2665 -17.2321 -17.2318 -17.2268 -17.2266 -7.9738 -7.9738 -7.7766 -7.7765 -6.3199 -6.3198 -6.1358 -6.1356 -5.1282 -5.1278 -5.0852 -5.0835 -5.0370 -5.0351 -5.0000 -4.9995 -2.5731 -2.5729 -2.5309 -2.5307 -2.2278 -2.2278 -2.1410 -2.1409 -2.0685 -2.0683 -2.0466 -2.0464 -1.7014 -1.7013 -1.6970 -1.6969 -1.5475 -1.5473 -1.4955 -1.4953 -0.0950 -0.0948 -0.0542 -0.0539 -0.0266 -0.0263 0.0198 0.0200 0.4027 0.4028 0.5993 0.5994 8.8356 8.8357 8.9891 8.9891 9.4168 9.4169 9.7698 9.7699 10.6867 10.6877 10.7062 10.7071 k = 0.4211 0.8179 0.4748 ( 6818 PWs) bands (ev): -20.0873 -20.0873 -20.0701 -20.0701 -17.6815 -17.6814 -17.6582 -17.6581 -17.2814 -17.2812 -17.2687 -17.2684 -17.2315 -17.2312 -17.2275 -17.2272 -7.9524 -7.9524 -7.8038 -7.8038 -6.2939 -6.2937 -6.1551 -6.1550 -5.1183 -5.1177 -5.0785 -5.0759 -5.0458 -5.0432 -5.0097 -5.0090 -2.5683 -2.5681 -2.5364 -2.5362 -2.2118 -2.2117 -2.1448 -2.1447 -2.0656 -2.0655 -2.0491 -2.0488 -1.7108 -1.7107 -1.7062 -1.7061 -1.5423 -1.5422 -1.5032 -1.5030 -0.0879 -0.0877 -0.0574 -0.0571 -0.0172 -0.0170 0.0180 0.0182 0.4257 0.4258 0.5747 0.5747 8.8539 8.8540 8.9712 8.9712 9.4509 9.4510 9.7185 9.7186 10.6857 10.6867 10.7011 10.7020 k = 0.4474 0.8179 0.4748 ( 6830 PWs) bands (ev): -20.0844 -20.0844 -20.0729 -20.0729 -17.6777 -17.6776 -17.6621 -17.6620 -17.2792 -17.2790 -17.2707 -17.2705 -17.2308 -17.2305 -17.2281 -17.2279 -7.9299 -7.9299 -7.8305 -7.8305 -6.2684 -6.2683 -6.1757 -6.1755 -5.1081 -5.1074 -5.0758 -5.0725 -5.0505 -5.0471 -5.0195 -5.0186 -2.5633 -2.5631 -2.5420 -2.5418 -2.1965 -2.1965 -2.1509 -2.1508 -2.0627 -2.0626 -2.0517 -2.0514 -1.7173 -1.7172 -1.7136 -1.7135 -1.5367 -1.5367 -1.5106 -1.5105 -0.0814 -0.0812 -0.0611 -0.0609 -0.0087 -0.0085 0.0150 0.0152 0.4496 0.4497 0.5496 0.5497 8.8729 8.8729 8.9521 8.9521 9.4889 9.4890 9.6686 9.6687 10.6858 10.6868 10.6964 10.6973 k = 0.4737 0.8179 0.4748 ( 6824 PWs) bands (ev): -20.0816 -20.0816 -20.0758 -20.0758 -17.6738 -17.6738 -17.6660 -17.6659 -17.2771 -17.2769 -17.2728 -17.2726 -17.2302 -17.2299 -17.2288 -17.2285 -7.9064 -7.9064 -7.8566 -7.8566 -6.2438 -6.2436 -6.1973 -6.1972 -5.0979 -5.0969 -5.0799 -5.0775 -5.0466 -5.0441 -5.0292 -5.0280 -2.5582 -2.5580 -2.5474 -2.5472 -2.1824 -2.1823 -2.1593 -2.1592 -2.0599 -2.0598 -2.0543 -2.0541 -1.7208 -1.7206 -1.7186 -1.7185 -1.5307 -1.5307 -1.5176 -1.5176 -0.0755 -0.0753 -0.0654 -0.0652 -0.0011 -0.0009 0.0108 0.0110 0.4741 0.4742 0.5244 0.5245 8.8924 8.8925 8.9323 8.9323 9.5301 9.5302 9.6203 9.6204 10.6870 10.6879 10.6924 10.6933 k = 0.5000 0.8179 0.4748 ( 6816 PWs) bands (ev): -20.0787 -20.0787 -20.0787 -20.0787 -17.6699 -17.6699 -17.6699 -17.6699 -17.2749 -17.2749 -17.2747 -17.2747 -17.2295 -17.2295 -17.2292 -17.2292 -7.8819 -7.8819 -7.8819 -7.8819 -6.2201 -6.2201 -6.2199 -6.2199 -5.0882 -5.0882 -5.0867 -5.0867 -5.0385 -5.0385 -5.0369 -5.0369 -2.5529 -2.5529 -2.5526 -2.5526 -2.1699 -2.1699 -2.1698 -2.1698 -2.0571 -2.0571 -2.0569 -2.0569 -1.7211 -1.7211 -1.7210 -1.7210 -1.5244 -1.5244 -1.5243 -1.5243 -0.0701 -0.0701 -0.0700 -0.0700 0.0055 0.0055 0.0056 0.0056 0.4991 0.4991 0.4992 0.4992 8.9123 8.9123 8.9123 8.9123 9.5740 9.5740 9.5741 9.5741 10.6892 10.6892 10.6901 10.6901 k = 0.5000 0.8179 0.4748 ( 6816 PWs) bands (ev): -20.0787 -20.0787 -20.0787 -20.0787 -17.6699 -17.6699 -17.6699 -17.6699 -17.2749 -17.2749 -17.2747 -17.2747 -17.2295 -17.2295 -17.2292 -17.2292 -7.8819 -7.8819 -7.8819 -7.8819 -6.2201 -6.2201 -6.2199 -6.2199 -5.0882 -5.0882 -5.0867 -5.0867 -5.0385 -5.0385 -5.0369 -5.0369 -2.5529 -2.5529 -2.5526 -2.5526 -2.1699 -2.1699 -2.1698 -2.1698 -2.0571 -2.0571 -2.0569 -2.0569 -1.7211 -1.7211 -1.7210 -1.7210 -1.5244 -1.5244 -1.5243 -1.5243 -0.0701 -0.0701 -0.0700 -0.0700 0.0055 0.0055 0.0056 0.0056 0.4991 0.4991 0.4992 0.4992 8.9123 8.9123 8.9123 8.9123 9.5740 9.5740 9.5741 9.5741 10.6892 10.6892 10.6901 10.6901 k = 0.5000 0.8307 0.4527 ( 6814 PWs) bands (ev): -20.0786 -20.0786 -20.0786 -20.0786 -17.6702 -17.6702 -17.6698 -17.6698 -17.2750 -17.2750 -17.2746 -17.2746 -17.2296 -17.2296 -17.2292 -17.2292 -7.8812 -7.8812 -7.8810 -7.8810 -6.2209 -6.2209 -6.2204 -6.2204 -5.0887 -5.0887 -5.0871 -5.0871 -5.0380 -5.0380 -5.0361 -5.0361 -2.5527 -2.5527 -2.5524 -2.5524 -2.1745 -2.1745 -2.1732 -2.1732 -2.0540 -2.0540 -2.0525 -2.0525 -1.7212 -1.7212 -1.7209 -1.7209 -1.5243 -1.5243 -1.5238 -1.5238 -0.0723 -0.0723 -0.0705 -0.0705 0.0057 0.0057 0.0075 0.0075 0.4978 0.4978 0.4980 0.4980 8.9133 8.9133 8.9135 8.9135 9.5756 9.5756 9.5757 9.5757 10.6888 10.6888 10.6898 10.6898 k = 0.5000 0.8436 0.4305 ( 6820 PWs) bands (ev): -20.0784 -20.0784 -20.0784 -20.0784 -17.6706 -17.6706 -17.6699 -17.6699 -17.2751 -17.2751 -17.2746 -17.2746 -17.2300 -17.2300 -17.2292 -17.2292 -7.8787 -7.8787 -7.8784 -7.8784 -6.2231 -6.2231 -6.2221 -6.2221 -5.0900 -5.0900 -5.0881 -5.0881 -5.0367 -5.0367 -5.0342 -5.0342 -2.5522 -2.5522 -2.5518 -2.5518 -2.1856 -2.1856 -2.1834 -2.1834 -2.0445 -2.0445 -2.0419 -2.0419 -1.7211 -1.7211 -1.7205 -1.7205 -1.5235 -1.5235 -1.5227 -1.5227 -0.0768 -0.0768 -0.0736 -0.0736 0.0081 0.0081 0.0113 0.0113 0.4940 0.4940 0.4944 0.4944 8.9166 8.9166 8.9169 8.9169 9.5802 9.5802 9.5803 9.5803 10.6875 10.6875 10.6886 10.6886 k = 0.5000 0.8564 0.4084 ( 6818 PWs) bands (ev): -20.0781 -20.0781 -20.0780 -20.0780 -17.6713 -17.6713 -17.6702 -17.6702 -17.2753 -17.2753 -17.2745 -17.2745 -17.2304 -17.2304 -17.2293 -17.2293 -7.8747 -7.8747 -7.8741 -7.8741 -6.2265 -6.2265 -6.2251 -6.2251 -5.0919 -5.0919 -5.0897 -5.0897 -5.0344 -5.0344 -5.0313 -5.0313 -2.5513 -2.5513 -2.5508 -2.5508 -2.2006 -2.2006 -2.1980 -2.1980 -2.0311 -2.0311 -2.0278 -2.0278 -1.7210 -1.7210 -1.7201 -1.7201 -1.5222 -1.5222 -1.5209 -1.5209 -0.0831 -0.0831 -0.0788 -0.0788 0.0122 0.0122 0.0164 0.0164 0.4877 0.4877 0.4883 0.4883 8.9219 8.9219 8.9225 8.9225 9.5878 9.5878 9.5880 9.5880 10.6853 10.6853 10.6865 10.6865 k = 0.5000 0.8693 0.3862 ( 6816 PWs) bands (ev): -20.0776 -20.0776 -20.0775 -20.0775 -17.6721 -17.6721 -17.6707 -17.6707 -17.2754 -17.2754 -17.2745 -17.2745 -17.2310 -17.2310 -17.2296 -17.2296 -7.8690 -7.8690 -7.8683 -7.8683 -6.2312 -6.2312 -6.2293 -6.2293 -5.0941 -5.0941 -5.0918 -5.0918 -5.0314 -5.0314 -5.0277 -5.0277 -2.5501 -2.5501 -2.5494 -2.5494 -2.2178 -2.2178 -2.2149 -2.2149 -2.0158 -2.0158 -2.0121 -2.0121 -1.7207 -1.7207 -1.7195 -1.7195 -1.5202 -1.5202 -1.5184 -1.5184 -0.0908 -0.0908 -0.0858 -0.0858 0.0175 0.0175 0.0224 0.0224 0.4792 0.4792 0.4800 0.4800 8.9294 8.9294 8.9301 8.9301 9.5984 9.5984 9.5986 9.5986 10.6820 10.6820 10.6833 10.6833 k = 0.5000 0.8821 0.3641 ( 6814 PWs) bands (ev): -20.0770 -20.0770 -20.0768 -20.0768 -17.6731 -17.6731 -17.6713 -17.6713 -17.2757 -17.2757 -17.2745 -17.2745 -17.2317 -17.2317 -17.2300 -17.2300 -7.8619 -7.8619 -7.8610 -7.8610 -6.2370 -6.2370 -6.2347 -6.2347 -5.0965 -5.0965 -5.0941 -5.0941 -5.0278 -5.0278 -5.0237 -5.0237 -2.5486 -2.5486 -2.5477 -2.5477 -2.2361 -2.2361 -2.2330 -2.2330 -1.9998 -1.9998 -1.9958 -1.9958 -1.7204 -1.7204 -1.7189 -1.7189 -1.5175 -1.5175 -1.5153 -1.5153 -0.0996 -0.0996 -0.0942 -0.0942 0.0236 0.0236 0.0290 0.0290 0.4685 0.4685 0.4695 0.4695 8.9389 8.9389 8.9398 8.9398 9.6119 9.6119 9.6121 9.6121 10.6771 10.6771 10.6787 10.6787 k = 0.5000 0.8950 0.3419 ( 6806 PWs) bands (ev): -20.0762 -20.0762 -20.0761 -20.0761 -17.6742 -17.6742 -17.6721 -17.6721 -17.2759 -17.2759 -17.2745 -17.2745 -17.2325 -17.2325 -17.2304 -17.2304 -7.8533 -7.8533 -7.8522 -7.8522 -6.2440 -6.2440 -6.2412 -6.2412 -5.0990 -5.0990 -5.0964 -5.0964 -5.0238 -5.0238 -5.0194 -5.0194 -2.5467 -2.5467 -2.5456 -2.5456 -2.2548 -2.2548 -2.2516 -2.2516 -1.9838 -1.9838 -1.9796 -1.9796 -1.7199 -1.7199 -1.7181 -1.7181 -1.5141 -1.5141 -1.5114 -1.5114 -0.1092 -0.1092 -0.1036 -0.1036 0.0303 0.0303 0.0360 0.0360 0.4559 0.4559 0.4572 0.4572 8.9504 8.9504 8.9515 8.9515 9.6280 9.6280 9.6283 9.6283 10.6706 10.6706 10.6723 10.6723 k = 0.5000 0.9079 0.3198 ( 6806 PWs) bands (ev): -20.0754 -20.0754 -20.0752 -20.0752 -17.6755 -17.6755 -17.6730 -17.6730 -17.2761 -17.2761 -17.2745 -17.2745 -17.2333 -17.2333 -17.2310 -17.2310 -7.8434 -7.8434 -7.8421 -7.8421 -6.2519 -6.2519 -6.2487 -6.2487 -5.1014 -5.1014 -5.0988 -5.0988 -5.0196 -5.0196 -5.0149 -5.0149 -2.5447 -2.5447 -2.5433 -2.5433 -2.2735 -2.2735 -2.2702 -2.2702 -1.9682 -1.9682 -1.9639 -1.9639 -1.7195 -1.7195 -1.7173 -1.7173 -1.5099 -1.5099 -1.5068 -1.5068 -0.1196 -0.1196 -0.1138 -0.1138 0.0373 0.0373 0.0432 0.0432 0.4417 0.4417 0.4432 0.4432 8.9636 8.9636 8.9649 8.9649 9.6468 9.6468 9.6472 9.6472 10.6619 10.6619 10.6639 10.6639 k = 0.5000 0.9207 0.2976 ( 6810 PWs) bands (ev): -20.0744 -20.0744 -20.0742 -20.0742 -17.6768 -17.6768 -17.6741 -17.6741 -17.2764 -17.2764 -17.2746 -17.2746 -17.2342 -17.2342 -17.2316 -17.2316 -7.8324 -7.8324 -7.8309 -7.8309 -6.2608 -6.2608 -6.2572 -6.2572 -5.1037 -5.1037 -5.1010 -5.1010 -5.0153 -5.0153 -5.0103 -5.0103 -2.5424 -2.5424 -2.5407 -2.5407 -2.2921 -2.2921 -2.2885 -2.2885 -1.9533 -1.9533 -1.9490 -1.9490 -1.7190 -1.7190 -1.7165 -1.7165 -1.5050 -1.5050 -1.5015 -1.5015 -0.1306 -0.1306 -0.1248 -0.1248 0.0444 0.0444 0.0504 0.0504 0.4260 0.4260 0.4278 0.4278 8.9786 8.9786 8.9800 8.9800 9.6679 9.6679 9.6684 9.6684 10.6507 10.6507 10.6529 10.6529 k = 0.5000 0.9336 0.2755 ( 6800 PWs) bands (ev): -20.0734 -20.0734 -20.0732 -20.0732 -17.6782 -17.6782 -17.6752 -17.6752 -17.2767 -17.2767 -17.2746 -17.2746 -17.2352 -17.2352 -17.2323 -17.2323 -7.8204 -7.8204 -7.8187 -7.8187 -6.2704 -6.2704 -6.2664 -6.2664 -5.1058 -5.1058 -5.1031 -5.1031 -5.0110 -5.0110 -5.0058 -5.0058 -2.5400 -2.5400 -2.5379 -2.5379 -2.3101 -2.3101 -2.3062 -2.3062 -1.9393 -1.9393 -1.9350 -1.9350 -1.7186 -1.7186 -1.7157 -1.7157 -1.4994 -1.4994 -1.4954 -1.4954 -0.1422 -0.1422 -0.1364 -0.1364 0.0517 0.0517 0.0578 0.0578 0.4093 0.4093 0.4114 0.4114 8.9950 8.9950 8.9966 8.9966 9.6912 9.6912 9.6918 9.6918 10.6366 10.6366 10.6391 10.6391 k = 0.5000 0.9464 0.2533 ( 6800 PWs) bands (ev): -20.0724 -20.0724 -20.0721 -20.0721 -17.6797 -17.6797 -17.6764 -17.6764 -17.2770 -17.2770 -17.2747 -17.2747 -17.2361 -17.2361 -17.2330 -17.2330 -7.8075 -7.8075 -7.8057 -7.8057 -6.2806 -6.2806 -6.2762 -6.2762 -5.1077 -5.1077 -5.1050 -5.1050 -5.0067 -5.0067 -5.0014 -5.0014 -2.5375 -2.5375 -2.5349 -2.5349 -2.3275 -2.3275 -2.3232 -2.3232 -1.9263 -1.9263 -1.9220 -1.9220 -1.7183 -1.7183 -1.7149 -1.7149 -1.4931 -1.4931 -1.4887 -1.4887 -0.1543 -0.1543 -0.1485 -0.1485 0.0589 0.0589 0.0651 0.0651 0.3918 0.3918 0.3943 0.3943 9.0127 9.0127 9.0145 9.0145 9.7163 9.7163 9.7170 9.7170 10.6195 10.6195 10.6223 10.6223 k = 0.5000 0.9593 0.2312 ( 6814 PWs) bands (ev): -20.0713 -20.0713 -20.0710 -20.0710 -17.6812 -17.6812 -17.6777 -17.6777 -17.2773 -17.2773 -17.2748 -17.2748 -17.2371 -17.2371 -17.2338 -17.2338 -7.7941 -7.7941 -7.7921 -7.7921 -6.2912 -6.2912 -6.2865 -6.2865 -5.1094 -5.1094 -5.1066 -5.1066 -5.0026 -5.0026 -4.9971 -4.9971 -2.5350 -2.5350 -2.5320 -2.5320 -2.3440 -2.3440 -2.3393 -2.3393 -1.9145 -1.9145 -1.9102 -1.9102 -1.7180 -1.7180 -1.7143 -1.7143 -1.4862 -1.4862 -1.4813 -1.4813 -0.1668 -0.1668 -0.1611 -0.1611 0.0661 0.0661 0.0724 0.0724 0.3739 0.3739 0.3768 0.3768 9.0316 9.0316 9.0334 9.0334 9.7429 9.7429 9.7439 9.7439 10.5993 10.5993 10.6023 10.6023 k = 0.5000 0.9721 0.2090 ( 6816 PWs) bands (ev): -20.0702 -20.0702 -20.0699 -20.0699 -17.6827 -17.6827 -17.6790 -17.6790 -17.2777 -17.2777 -17.2750 -17.2750 -17.2381 -17.2381 -17.2346 -17.2346 -7.7803 -7.7803 -7.7781 -7.7781 -6.3021 -6.3021 -6.2971 -6.2971 -5.1109 -5.1109 -5.1081 -5.1081 -4.9986 -4.9986 -4.9930 -4.9930 -2.5327 -2.5327 -2.5290 -2.5290 -2.3595 -2.3595 -2.3542 -2.3542 -1.9037 -1.9037 -1.8996 -1.8996 -1.7180 -1.7180 -1.7139 -1.7139 -1.4787 -1.4787 -1.4735 -1.4735 -0.1796 -0.1796 -0.1740 -0.1740 0.0731 0.0731 0.0796 0.0796 0.3559 0.3559 0.3593 0.3593 9.0512 9.0512 9.0532 9.0532 9.7707 9.7707 9.7718 9.7718 10.5759 10.5759 10.5793 10.5793 k = 0.5000 0.9850 0.1869 ( 6822 PWs) bands (ev): -20.0691 -20.0691 -20.0688 -20.0688 -17.6842 -17.6842 -17.6802 -17.6802 -17.2780 -17.2780 -17.2751 -17.2751 -17.2391 -17.2391 -17.2355 -17.2355 -7.7664 -7.7664 -7.7641 -7.7641 -6.3131 -6.3131 -6.3077 -6.3077 -5.1121 -5.1121 -5.1093 -5.1093 -4.9949 -4.9949 -4.9892 -4.9892 -2.5307 -2.5307 -2.5262 -2.5262 -2.3738 -2.3738 -2.3677 -2.3677 -1.8941 -1.8941 -1.8900 -1.8900 -1.7181 -1.7181 -1.7137 -1.7137 -1.4710 -1.4710 -1.4654 -1.4654 -0.1926 -0.1926 -0.1870 -0.1870 0.0800 0.0800 0.0868 0.0868 0.3382 0.3382 0.3421 0.3421 9.0713 9.0713 9.0734 9.0734 9.7991 9.7991 9.8005 9.8005 10.5498 10.5498 10.5535 10.5535 k = 0.5000 0.9979 0.1647 ( 6830 PWs) bands (ev): -20.0681 -20.0681 -20.0677 -20.0677 -17.6855 -17.6855 -17.6814 -17.6814 -17.2784 -17.2784 -17.2753 -17.2753 -17.2401 -17.2401 -17.2363 -17.2363 -7.7527 -7.7527 -7.7502 -7.7502 -6.3238 -6.3238 -6.3182 -6.3182 -5.1132 -5.1132 -5.1103 -5.1103 -4.9915 -4.9915 -4.9857 -4.9857 -2.5290 -2.5290 -2.5238 -2.5238 -2.3865 -2.3865 -2.3797 -2.3797 -1.8855 -1.8855 -1.8815 -1.8815 -1.7185 -1.7185 -1.7138 -1.7138 -1.4632 -1.4632 -1.4572 -1.4572 -0.2056 -0.2056 -0.2001 -0.2001 0.0867 0.0867 0.0938 0.0938 0.3210 0.3210 0.3255 0.3255 9.0916 9.0916 9.0938 9.0938 9.8276 9.8276 9.8292 9.8292 10.5217 10.5217 10.5257 10.5257 k = 0.5000 1.0107 0.1426 ( 6832 PWs) bands (ev): -20.0671 -20.0671 -20.0667 -20.0667 -17.6868 -17.6868 -17.6824 -17.6824 -17.2787 -17.2787 -17.2754 -17.2754 -17.2410 -17.2410 -17.2371 -17.2371 -7.7394 -7.7394 -7.7368 -7.7368 -6.3342 -6.3342 -6.3283 -6.3283 -5.1142 -5.1142 -5.1112 -5.1112 -4.9884 -4.9884 -4.9826 -4.9826 -2.5279 -2.5279 -2.5218 -2.5218 -2.3975 -2.3975 -2.3898 -2.3898 -1.8778 -1.8778 -1.8739 -1.8739 -1.7192 -1.7192 -1.7142 -1.7142 -1.4555 -1.4555 -1.4491 -1.4491 -0.2184 -0.2184 -0.2129 -0.2129 0.0931 0.0931 0.1005 0.1005 0.3047 0.3047 0.3099 0.3099 9.1115 9.1115 9.1138 9.1138 9.8554 9.8554 9.8573 9.8573 10.4924 10.4924 10.4968 10.4968 k = 0.5000 1.0236 0.1205 ( 6840 PWs) bands (ev): -20.0662 -20.0662 -20.0658 -20.0658 -17.6878 -17.6878 -17.6833 -17.6833 -17.2791 -17.2791 -17.2756 -17.2756 -17.2418 -17.2418 -17.2379 -17.2379 -7.7270 -7.7270 -7.7242 -7.7242 -6.3439 -6.3439 -6.3377 -6.3377 -5.1150 -5.1150 -5.1119 -5.1119 -4.9856 -4.9856 -4.9799 -4.9799 -2.5275 -2.5275 -2.5205 -2.5205 -2.4066 -2.4066 -2.3980 -2.3980 -1.8711 -1.8711 -1.8672 -1.8672 -1.7203 -1.7203 -1.7149 -1.7149 -1.4482 -1.4482 -1.4414 -1.4414 -0.2307 -0.2307 -0.2251 -0.2251 0.0991 0.0991 0.1070 0.1070 0.2895 0.2895 0.2954 0.2954 9.1305 9.1305 9.1329 9.1329 9.8815 9.8815 9.8838 9.8838 10.4635 10.4635 10.4682 10.4682 k = 0.5000 1.0364 0.0983 ( 6838 PWs) bands (ev): -20.0654 -20.0654 -20.0651 -20.0651 -17.6886 -17.6886 -17.6841 -17.6841 -17.2794 -17.2794 -17.2758 -17.2758 -17.2427 -17.2427 -17.2387 -17.2387 -7.7156 -7.7156 -7.7127 -7.7127 -6.3527 -6.3527 -6.3463 -6.3463 -5.1156 -5.1156 -5.1125 -5.1125 -4.9833 -4.9833 -4.9776 -4.9776 -2.5277 -2.5277 -2.5200 -2.5200 -2.4134 -2.4134 -2.4040 -2.4040 -1.8651 -1.8651 -1.8613 -1.8613 -1.7217 -1.7217 -1.7161 -1.7161 -1.4414 -1.4414 -1.4343 -1.4343 -0.2422 -0.2422 -0.2366 -0.2366 0.1046 0.1046 0.1132 0.1132 0.2757 0.2757 0.2824 0.2824 9.1481 9.1481 9.1505 9.1505 9.9049 9.9049 9.9076 9.9076 10.4366 10.4366 10.4417 10.4417 k = 0.5000 1.0493 0.0762 ( 6842 PWs) bands (ev): -20.0648 -20.0648 -20.0644 -20.0644 -17.6892 -17.6892 -17.6845 -17.6845 -17.2798 -17.2798 -17.2760 -17.2760 -17.2434 -17.2434 -17.2394 -17.2394 -7.7057 -7.7057 -7.7027 -7.7027 -6.3602 -6.3602 -6.3537 -6.3537 -5.1162 -5.1162 -5.1130 -5.1130 -4.9814 -4.9814 -4.9758 -4.9758 -2.5286 -2.5286 -2.5204 -2.5204 -2.4180 -2.4180 -2.4080 -2.4080 -1.8599 -1.8599 -1.8561 -1.8561 -1.7234 -1.7234 -1.7176 -1.7176 -1.4356 -1.4356 -1.4282 -1.4282 -0.2526 -0.2526 -0.2470 -0.2470 0.1097 0.1097 0.1188 0.1188 0.2635 0.2635 0.2711 0.2711 9.1633 9.1633 9.1657 9.1657 9.9244 9.9244 9.9274 9.9274 10.4137 10.4137 10.4192 10.4192 k = 0.5000 1.0621 0.0540 ( 6834 PWs) bands (ev): -20.0643 -20.0643 -20.0639 -20.0639 -17.6895 -17.6895 -17.6847 -17.6847 -17.2801 -17.2801 -17.2762 -17.2762 -17.2441 -17.2441 -17.2401 -17.2401 -7.6976 -7.6976 -7.6945 -7.6945 -6.3663 -6.3663 -6.3596 -6.3596 -5.1168 -5.1168 -5.1134 -5.1134 -4.9801 -4.9801 -4.9745 -4.9745 -2.5300 -2.5300 -2.5214 -2.5214 -2.4203 -2.4203 -2.4100 -2.4100 -1.8552 -1.8552 -1.8515 -1.8515 -1.7256 -1.7256 -1.7196 -1.7196 -1.4309 -1.4309 -1.4232 -1.4232 -0.2616 -0.2616 -0.2559 -0.2559 0.1141 0.1141 0.1239 0.1239 0.2532 0.2532 0.2616 0.2616 9.1752 9.1752 9.1777 9.1777 9.9390 9.9390 9.9423 9.9423 10.3969 10.3969 10.4027 10.4027 k = 0.5000 1.0750 0.0319 ( 6836 PWs) bands (ev): -20.0640 -20.0640 -20.0636 -20.0636 -17.6895 -17.6895 -17.6846 -17.6846 -17.2804 -17.2804 -17.2763 -17.2763 -17.2447 -17.2447 -17.2408 -17.2408 -7.6915 -7.6915 -7.6884 -7.6884 -6.3707 -6.3707 -6.3639 -6.3639 -5.1174 -5.1174 -5.1138 -5.1138 -4.9792 -4.9792 -4.9737 -4.9737 -2.5317 -2.5317 -2.5230 -2.5230 -2.4205 -2.4205 -2.4101 -2.4101 -1.8511 -1.8511 -1.8474 -1.8474 -1.7282 -1.7282 -1.7220 -1.7220 -1.4274 -1.4274 -1.4195 -1.4195 -0.2689 -0.2689 -0.2631 -0.2631 0.1179 0.1179 0.1283 0.1283 0.2449 0.2449 0.2540 0.2540 9.1827 9.1827 9.1852 9.1852 9.9482 9.9482 9.9516 9.9516 10.3879 10.3879 10.3937 10.3937 k = 0.5000 1.0879 0.0097 ( 6844 PWs) bands (ev): -20.0639 -20.0639 -20.0636 -20.0636 -17.6890 -17.6890 -17.6842 -17.6842 -17.2807 -17.2807 -17.2765 -17.2765 -17.2453 -17.2453 -17.2414 -17.2414 -7.6878 -7.6878 -7.6847 -7.6847 -6.3731 -6.3731 -6.3662 -6.3662 -5.1180 -5.1180 -5.1143 -5.1143 -4.9789 -4.9789 -4.9735 -4.9735 -2.5332 -2.5332 -2.5246 -2.5246 -2.4190 -2.4190 -2.4087 -2.4087 -1.8474 -1.8474 -1.8437 -1.8437 -1.7312 -1.7312 -1.7249 -1.7249 -1.4254 -1.4254 -1.4172 -1.4172 -0.2741 -0.2741 -0.2683 -0.2683 0.1210 0.1210 0.1317 0.1317 0.2388 0.2388 0.2485 0.2485 9.1846 9.1846 9.1871 9.1871 9.9526 9.9526 9.9560 9.9560 10.3871 10.3871 10.3929 10.3929 k = 0.5000 1.0879 0.0097 ( 6844 PWs) bands (ev): -20.0639 -20.0639 -20.0636 -20.0636 -17.6890 -17.6890 -17.6842 -17.6842 -17.2807 -17.2807 -17.2765 -17.2765 -17.2453 -17.2453 -17.2414 -17.2414 -7.6878 -7.6878 -7.6847 -7.6847 -6.3731 -6.3731 -6.3662 -6.3662 -5.1180 -5.1180 -5.1143 -5.1143 -4.9789 -4.9789 -4.9735 -4.9735 -2.5332 -2.5332 -2.5246 -2.5246 -2.4190 -2.4190 -2.4087 -2.4087 -1.8474 -1.8474 -1.8437 -1.8437 -1.7312 -1.7312 -1.7249 -1.7249 -1.4254 -1.4254 -1.4172 -1.4172 -0.2741 -0.2741 -0.2683 -0.2683 0.1210 0.1210 0.1317 0.1317 0.2388 0.2388 0.2485 0.2485 9.1846 9.1846 9.1871 9.1871 9.9526 9.9526 9.9560 9.9560 10.3871 10.3871 10.3929 10.3929 k = 0.5000 1.0750-0.0129 ( 6842 PWs) bands (ev): -20.0640 -20.0640 -20.0637 -20.0637 -17.6887 -17.6887 -17.6839 -17.6839 -17.2806 -17.2806 -17.2764 -17.2764 -17.2454 -17.2454 -17.2416 -17.2416 -7.6885 -7.6885 -7.6854 -7.6854 -6.3724 -6.3724 -6.3655 -6.3655 -5.1183 -5.1183 -5.1145 -5.1145 -4.9789 -4.9789 -4.9735 -4.9735 -2.5346 -2.5346 -2.5263 -2.5263 -2.4169 -2.4169 -2.4068 -2.4068 -1.8464 -1.8464 -1.8427 -1.8427 -1.7330 -1.7330 -1.7264 -1.7264 -1.4254 -1.4254 -1.4172 -1.4172 -0.2750 -0.2750 -0.2692 -0.2692 0.1229 0.1229 0.1336 0.1336 0.2378 0.2378 0.2476 0.2476 9.1806 9.1806 9.1831 9.1831 9.9520 9.9520 9.9552 9.9552 10.3928 10.3928 10.3985 10.3985 k = 0.5000 1.0621-0.0355 ( 6834 PWs) bands (ev): -20.0644 -20.0644 -20.0640 -20.0640 -17.6880 -17.6880 -17.6832 -17.6832 -17.2805 -17.2805 -17.2762 -17.2762 -17.2455 -17.2455 -17.2417 -17.2417 -7.6916 -7.6916 -7.6885 -7.6885 -6.3696 -6.3696 -6.3628 -6.3628 -5.1187 -5.1187 -5.1147 -5.1147 -4.9794 -4.9794 -4.9741 -4.9741 -2.5357 -2.5357 -2.5278 -2.5278 -2.4133 -2.4133 -2.4036 -2.4036 -1.8463 -1.8463 -1.8425 -1.8425 -1.7347 -1.7347 -1.7279 -1.7279 -1.4267 -1.4267 -1.4184 -1.4184 -0.2740 -0.2740 -0.2682 -0.2682 0.1242 0.1242 0.1344 0.1344 0.2392 0.2392 0.2487 0.2487 9.1704 9.1704 9.1729 9.1729 9.9473 9.9473 9.9503 9.9503 10.4071 10.4071 10.4125 10.4125 k = 0.5000 1.0493-0.0581 ( 6832 PWs) bands (ev): -20.0649 -20.0649 -20.0646 -20.0646 -17.6870 -17.6870 -17.6822 -17.6822 -17.2803 -17.2803 -17.2761 -17.2761 -17.2456 -17.2456 -17.2418 -17.2418 -7.6970 -7.6970 -7.6940 -7.6940 -6.3649 -6.3649 -6.3581 -6.3581 -5.1193 -5.1193 -5.1150 -5.1150 -4.9805 -4.9805 -4.9753 -4.9753 -2.5367 -2.5367 -2.5292 -2.5292 -2.4084 -2.4084 -2.3991 -2.3991 -1.8470 -1.8470 -1.8431 -1.8431 -1.7364 -1.7364 -1.7293 -1.7293 -1.4291 -1.4291 -1.4208 -1.4208 -0.2713 -0.2713 -0.2656 -0.2656 0.1244 0.1244 0.1338 0.1338 0.2431 0.2431 0.2520 0.2520 9.1553 9.1553 9.1577 9.1577 9.9376 9.9376 9.9402 9.9402 10.4294 10.4294 10.4345 10.4345 k = 0.5000 1.0364-0.0807 ( 6836 PWs) bands (ev): -20.0656 -20.0656 -20.0653 -20.0653 -17.6856 -17.6856 -17.6809 -17.6809 -17.2802 -17.2802 -17.2759 -17.2759 -17.2456 -17.2456 -17.2419 -17.2419 -7.7043 -7.7043 -7.7014 -7.7014 -6.3585 -6.3585 -6.3519 -6.3519 -5.1198 -5.1198 -5.1153 -5.1153 -4.9822 -4.9822 -4.9770 -4.9770 -2.5376 -2.5376 -2.5306 -2.5306 -2.4020 -2.4020 -2.3933 -2.3933 -1.8488 -1.8488 -1.8446 -1.8446 -1.7380 -1.7380 -1.7305 -1.7305 -1.4327 -1.4327 -1.4245 -1.4245 -0.2671 -0.2671 -0.2615 -0.2615 0.1236 0.1236 0.1319 0.1319 0.2495 0.2495 0.2576 0.2576 9.1366 9.1366 9.1389 9.1389 9.9228 9.9228 9.9250 9.9250 10.4582 10.4582 10.4630 10.4630 k = 0.5000 1.0236-0.1033 ( 6824 PWs) bands (ev): -20.0665 -20.0665 -20.0662 -20.0662 -17.6839 -17.6839 -17.6793 -17.6793 -17.2799 -17.2799 -17.2758 -17.2758 -17.2456 -17.2456 -17.2419 -17.2419 -7.7132 -7.7132 -7.7104 -7.7104 -6.3507 -6.3507 -6.3442 -6.3442 -5.1204 -5.1204 -5.1156 -5.1156 -4.9843 -4.9843 -4.9792 -4.9792 -2.5385 -2.5385 -2.5322 -2.5322 -2.3942 -2.3942 -2.3861 -2.3861 -1.8515 -1.8515 -1.8471 -1.8471 -1.7394 -1.7394 -1.7317 -1.7317 -1.4372 -1.4372 -1.4291 -1.4291 -0.2615 -0.2615 -0.2561 -0.2561 0.1217 0.1217 0.1288 0.1288 0.2582 0.2582 0.2654 0.2654 9.1154 9.1154 9.1176 9.1176 9.9040 9.9040 9.9058 9.9058 10.4913 10.4913 10.4959 10.4959 k = 0.5000 1.0107-0.1259 ( 6830 PWs) bands (ev): -20.0675 -20.0675 -20.0672 -20.0672 -17.6821 -17.6821 -17.6776 -17.6776 -17.2797 -17.2797 -17.2756 -17.2756 -17.2456 -17.2456 -17.2419 -17.2419 -7.7235 -7.7235 -7.7208 -7.7208 -6.3418 -6.3418 -6.3355 -6.3355 -5.1209 -5.1209 -5.1160 -5.1160 -4.9869 -4.9869 -4.9818 -4.9818 -2.5395 -2.5395 -2.5338 -2.5338 -2.3851 -2.3851 -2.3776 -2.3776 -1.8553 -1.8553 -1.8508 -1.8508 -1.7406 -1.7406 -1.7326 -1.7326 -1.4425 -1.4425 -1.4346 -1.4346 -0.2550 -0.2550 -0.2497 -0.2497 0.1187 0.1187 0.1246 0.1246 0.2689 0.2689 0.2753 0.2753 9.0925 9.0925 9.0947 9.0947 9.8821 9.8821 9.8836 9.8836 10.5266 10.5266 10.5311 10.5311 k = 0.5000 0.9979-0.1485 ( 6832 PWs) bands (ev): -20.0686 -20.0686 -20.0683 -20.0683 -17.6800 -17.6800 -17.6757 -17.6757 -17.2794 -17.2794 -17.2754 -17.2754 -17.2455 -17.2455 -17.2419 -17.2419 -7.7347 -7.7347 -7.7321 -7.7321 -6.3319 -6.3319 -6.3258 -6.3258 -5.1213 -5.1213 -5.1162 -5.1162 -4.9899 -4.9899 -4.9848 -4.9848 -2.5406 -2.5406 -2.5354 -2.5354 -2.3747 -2.3747 -2.3678 -2.3678 -1.8603 -1.8603 -1.8557 -1.8557 -1.7414 -1.7414 -1.7334 -1.7334 -1.4485 -1.4485 -1.4407 -1.4407 -0.2477 -0.2477 -0.2425 -0.2425 0.1149 0.1149 0.1197 0.1197 0.2811 0.2811 0.2868 0.2868 9.0688 9.0688 9.0708 9.0708 9.8582 9.8582 9.8595 9.8595 10.5620 10.5620 10.5664 10.5664 k = 0.5000 0.9850-0.1712 ( 6812 PWs) bands (ev): -20.0697 -20.0697 -20.0694 -20.0694 -17.6779 -17.6779 -17.6737 -17.6737 -17.2791 -17.2791 -17.2752 -17.2752 -17.2454 -17.2454 -17.2418 -17.2418 -7.7466 -7.7466 -7.7442 -7.7442 -6.3215 -6.3215 -6.3156 -6.3156 -5.1216 -5.1216 -5.1163 -5.1163 -4.9932 -4.9932 -4.9882 -4.9882 -2.5418 -2.5418 -2.5372 -2.5372 -2.3632 -2.3632 -2.3570 -2.3570 -1.8664 -1.8664 -1.8619 -1.8619 -1.7420 -1.7420 -1.7339 -1.7339 -1.4548 -1.4548 -1.4473 -1.4473 -0.2398 -0.2398 -0.2348 -0.2348 0.1105 0.1105 0.1143 0.1143 0.2945 0.2945 0.2996 0.2996 9.0448 9.0448 9.0467 9.0467 9.8334 9.8334 9.8346 9.8346 10.5960 10.5960 10.6005 10.6005 k = 0.5000 0.9721-0.1938 ( 6818 PWs) bands (ev): -20.0709 -20.0709 -20.0706 -20.0706 -17.6756 -17.6756 -17.6716 -17.6716 -17.2788 -17.2788 -17.2750 -17.2750 -17.2452 -17.2452 -17.2417 -17.2417 -7.7588 -7.7588 -7.7566 -7.7566 -6.3106 -6.3106 -6.3051 -6.3051 -5.1217 -5.1217 -5.1164 -5.1164 -4.9968 -4.9968 -4.9918 -4.9918 -2.5430 -2.5430 -2.5389 -2.5389 -2.3508 -2.3508 -2.3451 -2.3451 -1.8737 -1.8737 -1.8693 -1.8693 -1.7422 -1.7422 -1.7342 -1.7342 -1.4614 -1.4614 -1.4542 -1.4542 -0.2317 -0.2317 -0.2269 -0.2269 0.1057 0.1057 0.1086 0.1086 0.3087 0.3087 0.3133 0.3133 9.0210 9.0210 9.0228 9.0228 9.8084 9.8084 9.8094 9.8094 10.6274 10.6274 10.6319 10.6319 k = 0.5000 0.9593-0.2164 ( 6806 PWs) bands (ev): -20.0721 -20.0721 -20.0718 -20.0718 -17.6734 -17.6734 -17.6696 -17.6696 -17.2785 -17.2785 -17.2749 -17.2749 -17.2451 -17.2451 -17.2416 -17.2416 -7.7711 -7.7711 -7.7691 -7.7691 -6.2997 -6.2997 -6.2945 -6.2945 -5.1217 -5.1217 -5.1163 -5.1163 -5.0006 -5.0006 -4.9957 -4.9957 -2.5442 -2.5442 -2.5406 -2.5406 -2.3375 -2.3375 -2.3323 -2.3323 -1.8821 -1.8821 -1.8778 -1.8778 -1.7421 -1.7421 -1.7343 -1.7343 -1.4680 -1.4680 -1.4611 -1.4611 -0.2234 -0.2234 -0.2188 -0.2188 0.1005 0.1005 0.1028 0.1028 0.3234 0.3234 0.3276 0.3276 8.9978 8.9978 8.9995 8.9995 9.7838 9.7838 9.7848 9.7848 10.6556 10.6556 10.6601 10.6601 k = 0.5000 0.9464-0.2390 ( 6802 PWs) bands (ev): -20.0733 -20.0733 -20.0730 -20.0730 -17.6712 -17.6712 -17.6676 -17.6676 -17.2782 -17.2782 -17.2747 -17.2747 -17.2449 -17.2449 -17.2415 -17.2415 -7.7832 -7.7832 -7.7814 -7.7814 -6.2889 -6.2889 -6.2840 -6.2840 -5.1215 -5.1215 -5.1161 -5.1161 -5.0045 -5.0045 -4.9997 -4.9997 -2.5455 -2.5455 -2.5423 -2.5423 -2.3236 -2.3236 -2.3189 -2.3189 -1.8915 -1.8915 -1.8875 -1.8875 -1.7417 -1.7417 -1.7342 -1.7342 -1.4745 -1.4745 -1.4679 -1.4679 -0.2152 -0.2152 -0.2108 -0.2108 0.0953 0.0953 0.0970 0.0970 0.3381 0.3381 0.3420 0.3420 8.9756 8.9756 8.9771 8.9771 9.7602 9.7602 9.7610 9.7610 10.6802 10.6802 10.6846 10.6846 k = 0.5000 0.9336-0.2616 ( 6810 PWs) bands (ev): -20.0744 -20.0744 -20.0742 -20.0742 -17.6690 -17.6690 -17.6657 -17.6657 -17.2779 -17.2779 -17.2745 -17.2745 -17.2447 -17.2447 -17.2413 -17.2413 -7.7949 -7.7949 -7.7932 -7.7932 -6.2785 -6.2785 -6.2739 -6.2739 -5.1211 -5.1211 -5.1157 -5.1157 -5.0085 -5.0085 -5.0039 -5.0039 -2.5467 -2.5467 -2.5439 -2.5439 -2.3092 -2.3092 -2.3049 -2.3049 -1.9018 -1.9018 -1.8981 -1.8981 -1.7411 -1.7411 -1.7341 -1.7341 -1.4806 -1.4806 -1.4745 -1.4745 -0.2072 -0.2072 -0.2031 -0.2031 0.0900 0.0900 0.0914 0.0914 0.3526 0.3526 0.3563 0.3563 8.9546 8.9546 8.9560 8.9560 9.7378 9.7378 9.7386 9.7386 10.7011 10.7011 10.7055 10.7055 k = 0.5000 0.9207-0.2842 ( 6806 PWs) bands (ev): -20.0755 -20.0755 -20.0753 -20.0753 -17.6669 -17.6669 -17.6639 -17.6639 -17.2776 -17.2776 -17.2744 -17.2744 -17.2445 -17.2445 -17.2412 -17.2412 -7.8060 -7.8060 -7.8045 -7.8045 -6.2686 -6.2686 -6.2644 -6.2644 -5.1205 -5.1205 -5.1153 -5.1153 -5.0125 -5.0125 -5.0080 -5.0080 -2.5479 -2.5479 -2.5455 -2.5455 -2.2945 -2.2945 -2.2906 -2.2906 -1.9129 -1.9129 -1.9095 -1.9095 -1.7403 -1.7403 -1.7338 -1.7338 -1.4863 -1.4863 -1.4806 -1.4806 -0.1996 -0.1996 -0.1957 -0.1957 0.0848 0.0848 0.0859 0.0859 0.3666 0.3666 0.3700 0.3700 8.9352 8.9352 8.9365 8.9365 9.7171 9.7171 9.7179 9.7179 10.7187 10.7187 10.7228 10.7228 k = 0.5000 0.9079-0.3068 ( 6810 PWs) bands (ev): -20.0765 -20.0765 -20.0763 -20.0763 -17.6650 -17.6650 -17.6623 -17.6623 -17.2774 -17.2774 -17.2743 -17.2743 -17.2443 -17.2443 -17.2411 -17.2411 -7.8162 -7.8162 -7.8148 -7.8148 -6.2594 -6.2594 -6.2556 -6.2556 -5.1197 -5.1197 -5.1147 -5.1147 -5.0163 -5.0163 -5.0121 -5.0121 -2.5490 -2.5490 -2.5469 -2.5469 -2.2799 -2.2799 -2.2763 -2.2763 -1.9244 -1.9244 -1.9214 -1.9214 -1.7394 -1.7394 -1.7335 -1.7335 -1.4915 -1.4915 -1.4863 -1.4863 -0.1926 -0.1926 -0.1889 -0.1889 0.0799 0.0799 0.0808 0.0808 0.3797 0.3797 0.3830 0.3830 8.9175 8.9175 8.9186 8.9186 9.6984 9.6984 9.6990 9.6990 10.7330 10.7330 10.7369 10.7369 k = 0.5000 0.8950-0.3294 ( 6810 PWs) bands (ev): -20.0774 -20.0774 -20.0773 -20.0773 -17.6632 -17.6632 -17.6609 -17.6609 -17.2771 -17.2771 -17.2742 -17.2742 -17.2441 -17.2441 -17.2409 -17.2409 -7.8253 -7.8253 -7.8242 -7.8242 -6.2510 -6.2510 -6.2477 -6.2477 -5.1187 -5.1187 -5.1141 -5.1141 -5.0199 -5.0199 -5.0160 -5.0160 -2.5500 -2.5500 -2.5481 -2.5481 -2.2655 -2.2655 -2.2623 -2.2623 -1.9361 -1.9361 -1.9334 -1.9334 -1.7384 -1.7384 -1.7332 -1.7332 -1.4961 -1.4961 -1.4914 -1.4914 -0.1861 -0.1861 -0.1827 -0.1827 0.0753 0.0753 0.0762 0.0762 0.3917 0.3917 0.3948 0.3948 8.9018 8.9018 8.9028 8.9028 9.6817 9.6817 9.6823 9.6823 10.7446 10.7446 10.7483 10.7483 k = 0.5000 0.8821-0.3520 ( 6822 PWs) bands (ev): -20.0782 -20.0782 -20.0781 -20.0781 -17.6616 -17.6616 -17.6596 -17.6596 -17.2769 -17.2769 -17.2741 -17.2741 -17.2440 -17.2440 -17.2408 -17.2408 -7.8333 -7.8333 -7.8323 -7.8323 -6.2437 -6.2437 -6.2408 -6.2408 -5.1177 -5.1177 -5.1136 -5.1136 -5.0232 -5.0232 -5.0196 -5.0196 -2.5508 -2.5508 -2.5492 -2.5492 -2.2518 -2.2518 -2.2490 -2.2490 -1.9475 -1.9475 -1.9451 -1.9451 -1.7374 -1.7374 -1.7329 -1.7329 -1.5000 -1.5000 -1.4959 -1.4959 -0.1804 -0.1804 -0.1773 -0.1773 0.0711 0.0711 0.0720 0.0720 0.4023 0.4023 0.4052 0.4052 8.8882 8.8882 8.8890 8.8890 9.6674 9.6674 9.6679 9.6679 10.7539 10.7539 10.7572 10.7572 k = 0.5000 0.8693-0.3746 ( 6826 PWs) bands (ev): -20.0789 -20.0789 -20.0788 -20.0788 -17.6602 -17.6602 -17.6586 -17.6586 -17.2767 -17.2767 -17.2740 -17.2740 -17.2438 -17.2438 -17.2407 -17.2407 -7.8400 -7.8400 -7.8392 -7.8392 -6.2376 -6.2376 -6.2351 -6.2351 -5.1166 -5.1166 -5.1131 -5.1131 -5.0260 -5.0260 -5.0228 -5.0228 -2.5516 -2.5516 -2.5501 -2.5501 -2.2392 -2.2392 -2.2367 -2.2367 -1.9582 -1.9582 -1.9562 -1.9562 -1.7364 -1.7364 -1.7328 -1.7328 -1.5031 -1.5031 -1.4997 -1.4997 -0.1756 -0.1756 -0.1727 -0.1727 0.0676 0.0676 0.0684 0.0684 0.4113 0.4113 0.4141 0.4141 8.8768 8.8768 8.8776 8.8776 9.6555 9.6555 9.6560 9.6560 10.7610 10.7610 10.7640 10.7640 k = 0.5000 0.8564-0.3972 ( 6824 PWs) bands (ev): -20.0794 -20.0794 -20.0793 -20.0793 -17.6591 -17.6591 -17.6579 -17.6579 -17.2765 -17.2765 -17.2739 -17.2739 -17.2437 -17.2437 -17.2406 -17.2406 -7.8452 -7.8452 -7.8447 -7.8447 -6.2326 -6.2326 -6.2305 -6.2305 -5.1155 -5.1155 -5.1127 -5.1127 -5.0282 -5.0282 -5.0256 -5.0256 -2.5522 -2.5522 -2.5509 -2.5509 -2.2283 -2.2283 -2.2262 -2.2262 -1.9675 -1.9675 -1.9659 -1.9659 -1.7355 -1.7355 -1.7327 -1.7327 -1.5056 -1.5056 -1.5027 -1.5027 -0.1717 -0.1717 -0.1691 -0.1691 0.0647 0.0647 0.0655 0.0655 0.4186 0.4186 0.4212 0.4212 8.8679 8.8679 8.8685 8.8685 9.6461 9.6461 9.6466 9.6466 10.7663 10.7663 10.7690 10.7690 k = 0.5000 0.8436-0.4199 ( 6824 PWs) bands (ev): -20.0798 -20.0798 -20.0797 -20.0797 -17.6582 -17.6582 -17.6574 -17.6574 -17.2764 -17.2764 -17.2739 -17.2739 -17.2436 -17.2436 -17.2406 -17.2406 -7.8491 -7.8491 -7.8487 -7.8487 -6.2290 -6.2290 -6.2272 -6.2272 -5.1145 -5.1145 -5.1126 -5.1126 -5.0297 -5.0297 -5.0278 -5.0278 -2.5526 -2.5526 -2.5514 -2.5514 -2.2198 -2.2198 -2.2181 -2.2181 -1.9749 -1.9749 -1.9736 -1.9736 -1.7347 -1.7347 -1.7327 -1.7327 -1.5072 -1.5072 -1.5049 -1.5049 -0.1688 -0.1688 -0.1664 -0.1664 0.0626 0.0626 0.0634 0.0634 0.4238 0.4238 0.4263 0.4263 8.8615 8.8615 8.8620 8.8620 9.6394 9.6394 9.6398 9.6398 10.7700 10.7700 10.7724 10.7724 k = 0.5000 0.8307-0.4425 ( 6826 PWs) bands (ev): -20.0800 -20.0800 -20.0800 -20.0800 -17.6577 -17.6577 -17.6571 -17.6571 -17.2764 -17.2764 -17.2739 -17.2739 -17.2435 -17.2435 -17.2405 -17.2405 -7.8513 -7.8513 -7.8511 -7.8511 -6.2268 -6.2268 -6.2253 -6.2253 -5.1137 -5.1137 -5.1127 -5.1127 -5.0306 -5.0306 -5.0293 -5.0293 -2.5528 -2.5528 -2.5517 -2.5517 -2.2143 -2.2143 -2.2129 -2.2129 -1.9795 -1.9795 -1.9787 -1.9787 -1.7341 -1.7341 -1.7329 -1.7329 -1.5082 -1.5082 -1.5063 -1.5063 -0.1671 -0.1671 -0.1648 -0.1648 0.0614 0.0614 0.0621 0.0621 0.4270 0.4270 0.4295 0.4295 8.8576 8.8576 8.8580 8.8580 9.6354 9.6354 9.6357 9.6357 10.7721 10.7721 10.7744 10.7744 k = 0.5000 0.8179-0.4651 ( 6824 PWs) bands (ev): -20.0801 -20.0801 -20.0801 -20.0801 -17.6574 -17.6574 -17.6571 -17.6571 -17.2763 -17.2763 -17.2738 -17.2738 -17.2435 -17.2435 -17.2405 -17.2405 -7.8520 -7.8520 -7.8520 -7.8520 -6.2261 -6.2261 -6.2246 -6.2246 -5.1132 -5.1132 -5.1129 -5.1129 -5.0308 -5.0308 -5.0298 -5.0298 -2.5529 -2.5529 -2.5518 -2.5518 -2.2124 -2.2124 -2.2111 -2.2111 -1.9811 -1.9811 -1.9805 -1.9805 -1.7338 -1.7338 -1.7331 -1.7331 -1.5085 -1.5085 -1.5068 -1.5068 -0.1665 -0.1665 -0.1643 -0.1643 0.0609 0.0609 0.0616 0.0616 0.4281 0.4281 0.4305 0.4305 8.8564 8.8564 8.8567 8.8567 9.6340 9.6340 9.6343 9.6343 10.7728 10.7728 10.7751 10.7751 k = 0.5000 0.8179-0.4651 ( 6824 PWs) bands (ev): -20.0801 -20.0801 -20.0801 -20.0801 -17.6574 -17.6574 -17.6571 -17.6571 -17.2763 -17.2763 -17.2738 -17.2738 -17.2435 -17.2435 -17.2405 -17.2405 -7.8520 -7.8520 -7.8520 -7.8520 -6.2261 -6.2261 -6.2246 -6.2246 -5.1132 -5.1132 -5.1129 -5.1129 -5.0308 -5.0308 -5.0298 -5.0298 -2.5529 -2.5529 -2.5518 -2.5518 -2.2124 -2.2124 -2.2111 -2.2111 -1.9811 -1.9811 -1.9805 -1.9805 -1.7338 -1.7338 -1.7331 -1.7331 -1.5085 -1.5085 -1.5068 -1.5068 -0.1665 -0.1665 -0.1643 -0.1643 0.0609 0.0609 0.0616 0.0616 0.4281 0.4281 0.4305 0.4305 8.8564 8.8564 8.8567 8.8567 9.6340 9.6340 9.6343 9.6343 10.7728 10.7728 10.7751 10.7751 k = 0.4737 0.8179-0.4651 ( 6828 PWs) bands (ev): -20.0825 -20.0824 -20.0777 -20.0777 -17.6624 -17.6621 -17.6524 -17.6520 -17.2774 -17.2753 -17.2750 -17.2727 -17.2441 -17.2430 -17.2409 -17.2401 -7.8779 -7.8778 -7.8251 -7.8251 -6.2557 -6.2543 -6.1975 -6.1960 -5.1188 -5.1187 -5.1104 -5.1099 -5.0350 -5.0342 -5.0239 -5.0227 -2.5571 -2.5562 -2.5486 -2.5474 -2.2219 -2.2210 -2.2048 -2.2032 -1.9824 -1.9814 -1.9802 -1.9799 -1.7345 -1.7340 -1.7300 -1.7289 -1.5121 -1.5101 -1.5045 -1.5031 -0.1702 -0.1680 -0.1632 -0.1611 0.0512 0.0520 0.0694 0.0698 0.4045 0.4071 0.4521 0.4543 8.8255 8.8258 8.8879 8.8882 9.5888 9.5891 9.6814 9.6818 10.7626 10.7649 10.7838 10.7861 k = 0.4474 0.8179-0.4651 ( 6826 PWs) bands (ev): -20.0848 -20.0848 -20.0754 -20.0754 -17.6673 -17.6670 -17.6473 -17.6469 -17.2785 -17.2762 -17.2743 -17.2716 -17.2447 -17.2426 -17.2414 -17.2398 -7.9026 -7.9025 -7.7972 -7.7972 -6.2863 -6.2849 -6.1700 -6.1685 -5.1262 -5.1261 -5.1113 -5.1106 -5.0354 -5.0349 -5.0152 -5.0139 -2.5612 -2.5603 -2.5441 -2.5428 -2.2331 -2.2325 -2.1994 -2.1975 -1.9839 -1.9825 -1.9796 -1.9796 -1.7320 -1.7318 -1.7235 -1.7220 -1.5152 -1.5129 -1.5002 -1.4991 -0.1744 -0.1722 -0.1604 -0.1583 0.0402 0.0412 0.0764 0.0767 0.3814 0.3842 0.4762 0.4783 8.7955 8.7958 8.9198 8.9202 9.5463 9.5465 9.7308 9.7313 10.7534 10.7556 10.7955 10.7978 k = 0.4211 0.8179-0.4651 ( 6820 PWs) bands (ev): -20.0871 -20.0871 -20.0731 -20.0730 -17.6721 -17.6717 -17.6422 -17.6418 -17.2796 -17.2774 -17.2733 -17.2705 -17.2453 -17.2422 -17.2419 -17.2396 -7.9262 -7.9261 -7.7684 -7.7684 -6.3177 -6.3164 -6.1437 -6.1422 -5.1345 -5.1345 -5.1158 -5.1148 -5.0323 -5.0321 -5.0055 -5.0042 -2.5651 -2.5644 -2.5395 -2.5381 -2.2456 -2.2453 -2.1962 -2.1940 -1.9855 -1.9839 -1.9796 -1.9792 -1.7264 -1.7264 -1.7145 -1.7126 -1.5177 -1.5152 -1.4956 -1.4947 -0.1792 -0.1769 -0.1581 -0.1559 0.0280 0.0293 0.0821 0.0822 0.3591 0.3621 0.5003 0.5022 8.7667 8.7669 8.9516 8.9520 9.5067 9.5069 9.7820 9.7825 10.7450 10.7473 10.8077 10.8100 k = 0.3947 0.8179-0.4651 ( 6820 PWs) bands (ev): -20.0894 -20.0893 -20.0708 -20.0708 -17.6767 -17.6763 -17.6371 -17.6368 -17.2807 -17.2787 -17.2723 -17.2694 -17.2460 -17.2425 -17.2418 -17.2394 -7.9485 -7.9484 -7.7388 -7.7388 -6.3499 -6.3486 -6.1187 -6.1172 -5.1434 -5.1434 -5.1229 -5.1217 -5.0266 -5.0265 -4.9954 -4.9941 -2.5689 -2.5682 -2.5348 -2.5334 -2.2591 -2.2591 -2.1951 -2.1928 -1.9872 -1.9855 -1.9797 -1.9791 -1.7182 -1.7180 -1.7036 -1.7013 -1.5197 -1.5168 -1.4907 -1.4899 -0.1844 -0.1822 -0.1562 -0.1540 0.0149 0.0163 0.0863 0.0864 0.3378 0.3410 0.5241 0.5258 8.7391 8.7393 8.9828 8.9831 9.4707 9.4708 9.8346 9.8353 10.7374 10.7397 10.8200 10.8224 k = 0.3684 0.8179-0.4651 ( 6820 PWs) bands (ev): -20.0915 -20.0915 -20.0686 -20.0685 -17.6811 -17.6808 -17.6321 -17.6318 -17.2818 -17.2799 -17.2714 -17.2684 -17.2467 -17.2431 -17.2416 -17.2392 -7.9695 -7.9694 -7.7086 -7.7086 -6.3826 -6.3814 -6.0950 -6.0935 -5.1523 -5.1523 -5.1315 -5.1303 -5.0194 -5.0194 -4.9852 -4.9840 -2.5725 -2.5719 -2.5300 -2.5286 -2.2734 -2.2733 -2.1960 -2.1935 -1.9889 -1.9871 -1.9799 -1.9791 -1.7075 -1.7072 -1.6913 -1.6886 -1.5210 -1.5177 -1.4855 -1.4849 -0.1902 -0.1880 -0.1547 -0.1524 0.0010 0.0026 0.0891 0.0894 0.3177 0.3210 0.5473 0.5489 8.7129 8.7131 9.0125 9.0128 9.4389 9.4390 9.8886 9.8894 10.7306 10.7329 10.8320 10.8345 k = 0.3421 0.8179-0.4651 ( 6818 PWs) bands (ev): -20.0936 -20.0936 -20.0664 -20.0664 -17.6853 -17.6850 -17.6272 -17.6269 -17.2829 -17.2811 -17.2705 -17.2674 -17.2474 -17.2438 -17.2413 -17.2391 -7.9892 -7.9891 -7.6778 -7.6778 -6.4158 -6.4147 -6.0727 -6.0712 -5.1612 -5.1612 -5.1409 -5.1396 -5.0114 -5.0113 -4.9751 -4.9740 -2.5759 -2.5754 -2.5252 -2.5237 -2.2880 -2.2877 -2.1986 -2.1961 -1.9905 -1.9887 -1.9802 -1.9793 -1.6948 -1.6945 -1.6781 -1.6750 -1.5215 -1.5178 -1.4801 -1.4797 -0.1965 -0.1943 -0.1536 -0.1513 -0.0136 -0.0118 0.0907 0.0911 0.2989 0.3023 0.5699 0.5713 8.6882 8.6884 9.0396 9.0399 9.4123 9.4124 9.9436 9.9445 10.7242 10.7266 10.8433 10.8459 k = 0.3158 0.8179-0.4651 ( 6818 PWs) bands (ev): -20.0956 -20.0956 -20.0644 -20.0643 -17.6893 -17.6890 -17.6225 -17.6222 -17.2839 -17.2823 -17.2697 -17.2665 -17.2481 -17.2444 -17.2411 -17.2391 -8.0076 -8.0075 -7.6467 -7.6467 -6.4493 -6.4482 -6.0518 -6.0503 -5.1699 -5.1699 -5.1505 -5.1493 -5.0030 -5.0029 -4.9654 -4.9643 -2.5791 -2.5787 -2.5203 -2.5188 -2.3025 -2.3020 -2.2027 -2.2001 -1.9919 -1.9902 -1.9805 -1.9795 -1.6808 -1.6806 -1.6645 -1.6613 -1.5209 -1.5168 -1.4744 -1.4743 -0.2032 -0.2010 -0.1529 -0.1506 -0.0285 -0.0265 0.0911 0.0917 0.2816 0.2851 0.5916 0.5929 8.6651 8.6653 9.0627 9.0630 9.3922 9.3923 9.9995 10.0005 10.7181 10.7205 10.8534 10.8560 k = 0.2895 0.8179-0.4651 ( 6822 PWs) bands (ev): -20.0975 -20.0975 -20.0624 -20.0624 -17.6930 -17.6928 -17.6179 -17.6176 -17.2850 -17.2835 -17.2689 -17.2657 -17.2488 -17.2451 -17.2410 -17.2391 -8.0246 -8.0245 -7.6154 -7.6153 -6.4828 -6.4817 -6.0323 -6.0309 -5.1782 -5.1781 -5.1601 -5.1589 -4.9947 -4.9946 -4.9561 -4.9551 -2.5821 -2.5819 -2.5155 -2.5139 -2.3166 -2.3161 -2.2078 -2.2053 -1.9931 -1.9916 -1.9808 -1.9798 -1.6660 -1.6659 -1.6512 -1.6478 -1.5191 -1.5147 -1.4687 -1.4686 -0.2102 -0.2081 -0.1527 -0.1503 -0.0435 -0.0413 0.0906 0.0913 0.2658 0.2692 0.6122 0.6134 8.6437 8.6439 9.0802 9.0805 9.3800 9.3801 10.0560 10.0571 10.7119 10.7143 10.8616 10.8643 k = 0.2632 0.8179-0.4651 ( 6818 PWs) bands (ev): -20.0993 -20.0993 -20.0606 -20.0605 -17.6965 -17.6963 -17.6136 -17.6133 -17.2860 -17.2846 -17.2681 -17.2649 -17.2495 -17.2458 -17.2408 -17.2391 -8.0402 -8.0401 -7.5842 -7.5841 -6.5161 -6.5151 -6.0144 -6.0131 -5.1861 -5.1859 -5.1693 -5.1682 -4.9866 -4.9865 -4.9473 -4.9464 -2.5850 -2.5848 -2.5107 -2.5092 -2.3302 -2.3296 -2.2137 -2.2113 -1.9942 -1.9928 -1.9811 -1.9801 -1.6513 -1.6510 -1.6385 -1.6352 -1.5159 -1.5113 -1.4629 -1.4628 -0.2175 -0.2154 -0.1530 -0.1505 -0.0581 -0.0558 0.0893 0.0900 0.2516 0.2549 0.6317 0.6327 8.6239 8.6241 9.0909 9.0911 9.3766 9.3768 10.1128 10.1141 10.7054 10.7077 10.8672 10.8701 k = 0.2368 0.8179-0.4651 ( 6814 PWs) bands (ev): -20.1010 -20.1009 -20.0589 -20.0589 -17.6997 -17.6995 -17.6095 -17.6092 -17.2870 -17.2857 -17.2673 -17.2641 -17.2502 -17.2465 -17.2407 -17.2392 -8.0543 -8.0542 -7.5533 -7.5532 -6.5489 -6.5480 -5.9980 -5.9967 -5.1935 -5.1932 -5.1780 -5.1771 -4.9789 -4.9788 -4.9392 -4.9383 -2.5876 -2.5875 -2.5060 -2.5045 -2.3429 -2.3423 -2.2200 -2.2177 -1.9951 -1.9940 -1.9814 -1.9804 -1.6375 -1.6365 -1.6265 -1.6239 -1.5110 -1.5064 -1.4571 -1.4569 -0.2249 -0.2229 -0.1540 -0.1514 -0.0721 -0.0696 0.0874 0.0881 0.2389 0.2421 0.6497 0.6506 8.6060 8.6061 9.0946 9.0948 9.3820 9.3821 10.1697 10.1712 10.6982 10.7005 10.8697 10.8727 k = 0.2105 0.8179-0.4651 ( 6812 PWs) bands (ev): -20.1025 -20.1024 -20.0573 -20.0573 -17.7026 -17.7024 -17.6057 -17.6055 -17.2879 -17.2867 -17.2666 -17.2635 -17.2508 -17.2472 -17.2407 -17.2393 -8.0670 -8.0669 -7.5231 -7.5230 -6.5809 -6.5800 -5.9832 -5.9820 -5.2002 -5.2000 -5.1861 -5.1853 -4.9717 -4.9716 -4.9317 -4.9309 -2.5900 -2.5900 -2.5014 -2.5000 -2.3547 -2.3540 -2.2264 -2.2244 -1.9959 -1.9949 -1.9816 -1.9807 -1.6257 -1.6234 -1.6148 -1.6136 -1.5047 -1.5003 -1.4512 -1.4509 -0.2322 -0.2303 -0.1557 -0.1531 -0.0849 -0.0823 0.0850 0.0858 0.2278 0.2308 0.6663 0.6671 8.5898 8.5899 9.0924 9.0926 9.3944 9.3946 10.2264 10.2280 10.6902 10.6924 10.8684 10.8715 k = 0.1842 0.8179-0.4651 ( 6812 PWs) bands (ev): -20.1038 -20.1038 -20.0559 -20.0559 -17.7052 -17.7050 -17.6023 -17.6021 -17.2887 -17.2877 -17.2660 -17.2629 -17.2513 -17.2479 -17.2406 -17.2394 -8.0782 -8.0782 -7.4940 -7.4939 -6.6116 -6.6108 -5.9700 -5.9690 -5.2064 -5.2061 -5.1935 -5.1928 -4.9652 -4.9651 -4.9250 -4.9243 -2.5922 -2.5922 -2.4971 -2.4958 -2.3653 -2.3647 -2.2328 -2.2309 -1.9966 -1.9958 -1.9818 -1.9809 -1.6167 -1.6133 -1.6033 -1.6031 -1.4972 -1.4931 -1.4455 -1.4451 -0.2392 -0.2375 -0.1585 -0.1559 -0.0959 -0.0933 0.0825 0.0832 0.2182 0.2209 0.6812 0.6819 8.5755 8.5756 9.0864 9.0865 9.4116 9.4119 10.2824 10.2842 10.6813 10.6834 10.8628 10.8660 k = 0.1579 0.8179-0.4651 ( 6812 PWs) bands (ev): -20.1050 -20.1050 -20.0547 -20.0547 -17.7074 -17.7073 -17.5992 -17.5990 -17.2894 -17.2886 -17.2653 -17.2624 -17.2518 -17.2486 -17.2406 -17.2395 -8.0880 -8.0879 -7.4665 -7.4664 -6.6404 -6.6398 -5.9585 -5.9576 -5.2119 -5.2115 -5.1999 -5.1994 -4.9594 -4.9592 -4.9190 -4.9184 -2.5942 -2.5942 -2.4931 -2.4918 -2.3747 -2.3741 -2.2388 -2.2371 -1.9972 -1.9965 -1.9820 -1.9812 -1.6101 -1.6067 -1.5927 -1.5920 -1.4889 -1.4853 -1.4400 -1.4396 -0.2459 -0.2443 -0.1622 -0.1599 -0.1047 -0.1023 0.0799 0.0805 0.2100 0.2125 0.6944 0.6949 8.5630 8.5631 9.0784 9.0785 9.4311 9.4314 10.3374 10.3393 10.6718 10.6737 10.8526 10.8559 k = 0.1316 0.8179-0.4651 ( 6820 PWs) bands (ev): -20.1060 -20.1060 -20.0536 -20.0536 -17.7094 -17.7092 -17.5966 -17.5964 -17.2901 -17.2894 -17.2647 -17.2621 -17.2521 -17.2492 -17.2405 -17.2397 -8.0963 -8.0962 -7.4412 -7.4411 -6.6669 -6.6663 -5.9487 -5.9479 -5.2166 -5.2162 -5.2055 -5.2051 -4.9543 -4.9542 -4.9139 -4.9134 -2.5959 -2.5959 -2.4894 -2.4883 -2.3828 -2.3822 -2.2443 -2.2428 -1.9976 -1.9971 -1.9821 -1.9814 -1.6054 -1.6024 -1.5827 -1.5820 -1.4805 -1.4776 -1.4348 -1.4344 -0.2519 -0.2505 -0.1668 -0.1648 -0.1113 -0.1092 0.0775 0.0780 0.2032 0.2053 0.7057 0.7062 8.5524 8.5525 9.0699 9.0700 9.4509 9.4511 10.3907 10.3927 10.6620 10.6636 10.8378 10.8411 k = 0.1053 0.8179-0.4651 ( 6820 PWs) bands (ev): -20.1068 -20.1068 -20.0527 -20.0527 -17.7110 -17.7108 -17.5943 -17.5942 -17.2906 -17.2900 -17.2641 -17.2619 -17.2523 -17.2498 -17.2405 -17.2398 -8.1030 -8.1030 -7.4188 -7.4187 -6.6902 -6.6897 -5.9406 -5.9400 -5.2206 -5.2202 -5.2101 -5.2098 -4.9501 -4.9500 -4.9097 -4.9093 -2.5974 -2.5973 -2.4862 -2.4853 -2.3895 -2.3890 -2.2490 -2.2478 -1.9980 -1.9975 -1.9822 -1.9817 -1.6020 -1.5996 -1.5743 -1.5736 -1.4727 -1.4704 -1.4302 -1.4299 -0.2570 -0.2559 -0.1717 -0.1702 -0.1158 -0.1141 0.0753 0.0757 0.1977 0.1994 0.7151 0.7154 8.5437 8.5438 9.0620 9.0620 9.4692 9.4694 10.4416 10.4437 10.6525 10.6538 10.8189 10.8220 k = 0.0789 0.8179-0.4651 ( 6828 PWs) bands (ev): -20.1075 -20.1075 -20.0520 -20.0520 -17.7122 -17.7121 -17.5926 -17.5925 -17.2910 -17.2906 -17.2636 -17.2618 -17.2524 -17.2504 -17.2404 -17.2399 -8.1083 -8.1083 -7.4002 -7.4001 -6.7096 -6.7092 -5.9343 -5.9338 -5.2237 -5.2234 -5.2137 -5.2135 -4.9468 -4.9467 -4.9064 -4.9061 -2.5985 -2.5984 -2.4836 -2.4829 -2.3947 -2.3943 -2.2528 -2.2519 -1.9982 -1.9979 -1.9823 -1.9818 -1.5996 -1.5978 -1.5675 -1.5669 -1.4660 -1.4643 -1.4263 -1.4261 -0.2612 -0.2604 -0.1764 -0.1753 -0.1186 -0.1174 0.0735 0.0738 0.1936 0.1949 0.7224 0.7227 8.5370 8.5370 9.0553 9.0553 9.4849 9.4850 10.4888 10.4909 10.6440 10.6451 10.7967 10.7997 k = 0.0526 0.8179-0.4651 ( 6824 PWs) bands (ev): -20.1080 -20.1080 -20.0515 -20.0515 -17.7131 -17.7130 -17.5913 -17.5912 -17.2913 -17.2910 -17.2631 -17.2619 -17.2523 -17.2510 -17.2404 -17.2400 -8.1121 -8.1121 -7.3861 -7.3861 -6.7242 -6.7239 -5.9297 -5.9294 -5.2260 -5.2258 -5.2162 -5.2161 -4.9444 -4.9443 -4.9040 -4.9038 -2.5993 -2.5992 -2.4816 -2.4811 -2.3984 -2.3982 -2.2556 -2.2550 -1.9984 -1.9982 -1.9823 -1.9820 -1.5980 -1.5968 -1.5626 -1.5622 -1.4608 -1.4597 -1.4234 -1.4232 -0.2643 -0.2637 -0.1802 -0.1794 -0.1203 -0.1196 0.0722 0.0724 0.1907 0.1915 0.7278 0.7280 8.5321 8.5322 9.0502 9.0502 9.4968 9.4969 10.5301 10.5320 10.6374 10.6381 10.7736 10.7761 k = 0.0263 0.8179-0.4651 ( 6816 PWs) bands (ev): -20.1083 -20.1082 -20.0512 -20.0512 -17.7136 -17.7136 -17.5905 -17.5905 -17.2914 -17.2913 -17.2627 -17.2620 -17.2521 -17.2514 -17.2403 -17.2402 -8.1144 -8.1143 -7.3773 -7.3773 -6.7333 -6.7331 -5.9269 -5.9268 -5.2274 -5.2272 -5.2178 -5.2177 -4.9429 -4.9429 -4.9025 -4.9024 -2.5998 -2.5997 -2.4804 -2.4801 -2.4007 -2.4005 -2.2572 -2.2569 -1.9985 -1.9984 -1.9823 -1.9821 -1.5969 -1.5963 -1.5596 -1.5594 -1.4575 -1.4569 -1.4216 -1.4215 -0.2661 -0.2658 -0.1825 -0.1822 -0.1212 -0.1208 0.0714 0.0715 0.1890 0.1895 0.7310 0.7311 8.5292 8.5292 9.0471 9.0471 9.5043 9.5044 10.5610 10.5623 10.6332 10.6335 10.7542 10.7558 k = 0.0000 0.8179-0.4651 ( 6814 PWs) bands (ev): -20.1083 -20.1083 -20.0511 -20.0511 -17.7138 -17.7138 -17.5902 -17.5902 -17.2914 -17.2914 -17.2623 -17.2623 -17.2518 -17.2518 -17.2402 -17.2402 -8.1151 -8.1151 -7.3743 -7.3743 -6.7363 -6.7363 -5.9259 -5.9259 -5.2278 -5.2278 -5.2182 -5.2182 -4.9424 -4.9424 -4.9020 -4.9020 -2.5999 -2.5999 -2.4799 -2.4799 -2.4014 -2.4014 -2.2577 -2.2577 -1.9985 -1.9985 -1.9822 -1.9822 -1.5964 -1.5964 -1.5585 -1.5585 -1.4561 -1.4561 -1.4209 -1.4209 -0.2666 -0.2666 -0.1832 -0.1832 -0.1213 -0.1213 0.0712 0.0712 0.1886 0.1886 0.7321 0.7321 8.5283 8.5283 9.0460 9.0460 9.5069 9.5069 10.5736 10.5736 10.6319 10.6319 10.7466 10.7466 k = 0.0000 0.8179-0.4651 ( 6814 PWs) bands (ev): -20.1083 -20.1083 -20.0511 -20.0511 -17.7138 -17.7138 -17.5902 -17.5902 -17.2914 -17.2914 -17.2623 -17.2623 -17.2518 -17.2518 -17.2402 -17.2402 -8.1151 -8.1151 -7.3743 -7.3743 -6.7363 -6.7363 -5.9259 -5.9259 -5.2278 -5.2278 -5.2182 -5.2182 -4.9424 -4.9424 -4.9020 -4.9020 -2.5999 -2.5999 -2.4799 -2.4799 -2.4014 -2.4014 -2.2577 -2.2577 -1.9985 -1.9985 -1.9822 -1.9822 -1.5964 -1.5964 -1.5585 -1.5585 -1.4561 -1.4561 -1.4209 -1.4209 -0.2666 -0.2666 -0.1832 -0.1832 -0.1213 -0.1213 0.0712 0.0712 0.1886 0.1886 0.7321 0.7321 8.5283 8.5283 9.0460 9.0460 9.5069 9.5069 10.5736 10.5736 10.6319 10.6319 10.7466 10.7466 k = 0.0000 0.8307-0.4425 ( 6813 PWs) bands (ev): -20.1082 -20.1082 -20.0511 -20.0511 -17.7139 -17.7136 -17.5906 -17.5905 -17.2916 -17.2913 -17.2624 -17.2623 -17.2520 -17.2517 -17.2403 -17.2402 -8.1139 -8.1138 -7.3743 -7.3742 -6.7365 -6.7361 -5.9275 -5.9272 -5.2337 -5.2253 -5.2199 -5.2116 -4.9430 -4.9420 -4.9023 -4.9015 -2.5998 -2.5998 -2.4802 -2.4797 -2.4034 -2.4027 -2.2585 -2.2581 -1.9990 -1.9966 -1.9813 -1.9795 -1.5974 -1.5951 -1.5592 -1.5573 -1.4562 -1.4560 -1.4212 -1.4209 -0.2673 -0.2665 -0.1835 -0.1832 -0.1228 -0.1214 0.0716 0.0727 0.1873 0.1874 0.7310 0.7313 8.5297 8.5297 9.0481 9.0481 9.5070 9.5070 10.5738 10.5746 10.6323 10.6328 10.7478 10.7484 k = 0.0000 0.8436-0.4199 ( 6813 PWs) bands (ev): -20.1078 -20.1077 -20.0511 -20.0511 -17.7140 -17.7135 -17.5915 -17.5912 -17.2917 -17.2913 -17.2624 -17.2621 -17.2522 -17.2517 -17.2404 -17.2403 -8.1103 -8.1101 -7.3742 -7.3740 -6.7367 -6.7358 -5.9318 -5.9313 -5.2389 -5.2300 -5.2127 -5.2042 -4.9437 -4.9417 -4.9024 -4.9009 -2.5996 -2.5994 -2.4806 -2.4796 -2.4086 -2.4073 -2.2605 -2.2598 -1.9980 -1.9942 -1.9762 -1.9735 -1.5982 -1.5935 -1.5592 -1.5554 -1.4562 -1.4559 -1.4216 -1.4210 -0.2684 -0.2669 -0.1843 -0.1836 -0.1255 -0.1228 0.0737 0.0759 0.1833 0.1836 0.7281 0.7285 8.5340 8.5340 9.0544 9.0544 9.5075 9.5075 10.5751 10.5766 10.6341 10.6350 10.7519 10.7532 k = 0.0000 0.8564-0.3972 ( 6813 PWs) bands (ev): -20.1070 -20.1070 -20.0511 -20.0511 -17.7141 -17.7133 -17.5929 -17.5926 -17.2920 -17.2914 -17.2624 -17.2620 -17.2524 -17.2517 -17.2406 -17.2404 -8.1042 -8.1040 -7.3742 -7.3738 -6.7367 -6.7353 -5.9388 -5.9382 -5.2430 -5.2341 -5.2045 -5.1961 -4.9447 -4.9417 -4.9023 -4.9002 -2.5991 -2.5989 -2.4811 -2.4796 -2.4166 -2.4147 -2.2637 -2.2626 -1.9961 -1.9920 -1.9663 -1.9640 -1.5986 -1.5918 -1.5585 -1.5531 -1.4562 -1.4557 -1.4222 -1.4213 -0.2702 -0.2679 -0.1860 -0.1849 -0.1285 -0.1246 0.0771 0.0801 0.1772 0.1776 0.7232 0.7239 8.5412 8.5412 9.0648 9.0649 9.5082 9.5083 10.5773 10.5795 10.6371 10.6383 10.7592 10.7611 k = 0.0000 0.8693-0.3746 ( 6811 PWs) bands (ev): -20.1060 -20.1059 -20.0511 -20.0511 -17.7142 -17.7131 -17.5949 -17.5945 -17.2923 -17.2914 -17.2623 -17.2618 -17.2526 -17.2517 -17.2409 -17.2405 -8.0957 -8.0955 -7.3743 -7.3738 -6.7364 -6.7345 -5.9485 -5.9477 -5.2462 -5.2372 -5.1959 -5.1876 -4.9458 -4.9421 -4.9018 -4.8992 -2.5984 -2.5981 -2.4818 -2.4797 -2.4268 -2.4245 -2.2681 -2.2667 -1.9938 -1.9898 -1.9527 -1.9509 -1.5988 -1.5902 -1.5570 -1.5502 -1.4562 -1.4556 -1.4230 -1.4218 -0.2724 -0.2694 -0.1894 -0.1878 -0.1305 -0.1257 0.0807 0.0843 0.1693 0.1699 0.7167 0.7176 8.5512 8.5512 9.0793 9.0794 9.5092 9.5093 10.5803 10.5829 10.6410 10.6423 10.7697 10.7723 k = 0.0000 0.8821-0.3520 ( 6811 PWs) bands (ev): -20.1047 -20.1046 -20.0511 -20.0511 -17.7142 -17.7128 -17.5974 -17.5969 -17.2926 -17.2916 -17.2623 -17.2616 -17.2529 -17.2518 -17.2412 -17.2407 -8.0849 -8.0846 -7.3749 -7.3742 -6.7355 -6.7332 -5.9609 -5.9599 -5.2482 -5.2393 -5.1869 -5.1789 -4.9473 -4.9430 -4.9010 -4.8980 -2.5976 -2.5972 -2.4826 -2.4800 -2.4386 -2.4359 -2.2735 -2.2719 -1.9913 -1.9876 -1.9361 -1.9348 -1.5987 -1.5887 -1.5546 -1.5468 -1.4562 -1.4553 -1.4240 -1.4225 -0.2751 -0.2715 -0.1948 -0.1930 -0.1304 -0.1251 0.0830 0.0870 0.1609 0.1619 0.7085 0.7096 8.5639 8.5640 9.0978 9.0980 9.5106 9.5107 10.5835 10.5861 10.6457 10.6468 10.7836 10.7869 k = 0.0000 0.8950-0.3294 ( 6813 PWs) bands (ev): -20.1031 -20.1030 -20.0512 -20.0511 -17.7142 -17.7125 -17.6004 -17.5998 -17.2930 -17.2918 -17.2622 -17.2614 -17.2532 -17.2518 -17.2415 -17.2410 -8.0717 -8.0714 -7.3761 -7.3754 -6.7338 -6.7311 -5.9757 -5.9746 -5.2491 -5.2403 -5.1778 -5.1700 -4.9491 -4.9444 -4.8996 -4.8965 -2.5966 -2.5962 -2.4837 -2.4804 -2.4515 -2.4484 -2.2799 -2.2780 -1.9887 -1.9851 -1.9174 -1.9162 -1.5985 -1.5874 -1.5513 -1.5430 -1.4562 -1.4551 -1.4251 -1.4234 -0.2783 -0.2741 -0.2019 -0.2003 -0.1279 -0.1225 0.0820 0.0861 0.1537 0.1554 0.6989 0.7002 8.5793 8.5794 9.1203 9.1204 9.5121 9.5123 10.5859 10.5883 10.6510 10.6517 10.8009 10.8050 k = 0.0000 0.9079-0.3068 ( 6823 PWs) bands (ev): -20.1013 -20.1012 -20.0512 -20.0511 -17.7141 -17.7121 -17.6039 -17.6032 -17.2934 -17.2920 -17.2620 -17.2612 -17.2535 -17.2519 -17.2419 -17.2412 -8.0563 -8.0559 -7.3784 -7.3776 -6.7309 -6.7277 -5.9929 -5.9917 -5.2490 -5.2403 -5.1687 -5.1610 -4.9514 -4.9464 -4.8978 -4.8946 -2.5956 -2.5951 -2.4852 -2.4811 -2.4646 -2.4609 -2.2872 -2.2851 -1.9859 -1.9825 -1.8972 -1.8956 -1.5981 -1.5864 -1.5473 -1.5387 -1.4562 -1.4549 -1.4265 -1.4244 -0.2823 -0.2774 -0.2103 -0.2088 -0.1233 -0.1179 0.0755 0.0795 0.1495 0.1522 0.6880 0.6895 8.5973 8.5975 9.1465 9.1466 9.5139 9.5141 10.5863 10.5881 10.6567 10.6576 10.8216 10.8264 k = 0.0000 0.9207-0.2842 ( 6825 PWs) bands (ev): -20.0992 -20.0991 -20.0513 -20.0512 -17.7138 -17.7117 -17.6079 -17.6070 -17.2938 -17.2923 -17.2619 -17.2609 -17.2538 -17.2520 -17.2424 -17.2415 -8.0388 -8.0383 -7.3822 -7.3812 -6.7265 -6.7229 -6.0123 -6.0110 -5.2478 -5.2392 -5.1596 -5.1522 -4.9540 -4.9491 -4.8956 -4.8924 -2.5945 -2.5939 -2.4888 -2.4832 -2.4764 -2.4716 -2.2952 -2.2928 -1.9832 -1.9798 -1.8760 -1.8738 -1.5975 -1.5855 -1.5426 -1.5341 -1.4562 -1.4547 -1.4279 -1.4256 -0.2870 -0.2813 -0.2190 -0.2176 -0.1171 -0.1117 0.0629 0.0670 0.1491 0.1526 0.6762 0.6778 8.6178 8.6179 9.1763 9.1765 9.5159 9.5161 10.5824 10.5835 10.6628 10.6649 10.8455 10.8509 k = 0.0000 0.9336-0.2616 ( 6830 PWs) bands (ev): -20.0970 -20.0969 -20.0515 -20.0514 -17.7135 -17.7111 -17.6122 -17.6113 -17.2943 -17.2926 -17.2617 -17.2606 -17.2541 -17.2521 -17.2428 -17.2419 -8.0191 -8.0185 -7.3876 -7.3866 -6.7201 -6.7162 -6.0338 -6.0324 -5.2456 -5.2372 -5.1507 -5.1435 -4.9572 -4.9523 -4.8929 -4.8900 -2.5935 -2.5928 -2.4971 -2.4923 -2.4812 -2.4769 -2.3038 -2.3012 -1.9804 -1.9771 -1.8543 -1.8515 -1.5966 -1.5846 -1.5374 -1.5293 -1.4564 -1.4546 -1.4295 -1.4270 -0.2925 -0.2860 -0.2276 -0.2256 -0.1096 -0.1044 0.0458 0.0501 0.1510 0.1551 0.6637 0.6654 8.6405 8.6407 9.2095 9.2098 9.5180 9.5182 10.5716 10.5727 10.6703 10.6738 10.8720 10.8783 k = 0.0000 0.9464-0.2390 ( 6830 PWs) bands (ev): -20.0945 -20.0944 -20.0518 -20.0516 -17.7130 -17.7104 -17.6170 -17.6159 -17.2948 -17.2930 -17.2615 -17.2603 -17.2544 -17.2521 -17.2433 -17.2422 -7.9974 -7.9968 -7.3952 -7.3941 -6.7116 -6.7074 -6.0573 -6.0559 -5.2426 -5.2343 -5.1421 -5.1351 -4.9607 -4.9560 -4.8900 -4.8872 -2.5927 -2.5919 -2.5085 -2.5042 -2.4825 -2.4783 -2.3128 -2.3100 -1.9777 -1.9745 -1.8326 -1.8293 -1.5954 -1.5835 -1.5320 -1.5243 -1.4566 -1.4545 -1.4312 -1.4285 -0.2987 -0.2915 -0.2355 -0.2326 -0.1016 -0.0965 0.0259 0.0308 0.1536 0.1581 0.6507 0.6526 8.6655 8.6657 9.2461 9.2463 9.5203 9.5205 10.5515 10.5529 10.6794 10.6841 10.9006 10.9078 k = 0.0000 0.9593-0.2164 ( 6826 PWs) bands (ev): -20.0918 -20.0917 -20.0521 -20.0519 -17.7123 -17.7094 -17.6221 -17.6209 -17.2953 -17.2933 -17.2613 -17.2599 -17.2547 -17.2521 -17.2438 -17.2426 -7.9738 -7.9731 -7.4051 -7.4040 -6.7005 -6.6961 -6.0826 -6.0811 -5.2387 -5.2307 -5.1338 -5.1271 -4.9647 -4.9602 -4.8869 -4.8843 -2.5923 -2.5914 -2.5199 -2.5156 -2.4830 -2.4786 -2.3220 -2.3191 -1.9750 -1.9719 -1.8115 -1.8076 -1.5936 -1.5821 -1.5263 -1.5193 -1.4569 -1.4546 -1.4331 -1.4301 -0.3055 -0.2975 -0.2424 -0.2384 -0.0938 -0.0885 0.0050 0.0110 0.1560 0.1607 0.6378 0.6397 8.6924 8.6926 9.2857 9.2860 9.5227 9.5229 10.5200 10.5217 10.6899 10.6956 10.9304 10.9384 k = 0.0000 0.9721-0.1938 ( 6824 PWs) bands (ev): -20.0891 -20.0889 -20.0526 -20.0524 -17.7114 -17.7083 -17.6274 -17.6262 -17.2958 -17.2937 -17.2611 -17.2596 -17.2549 -17.2521 -17.2443 -17.2429 -7.9485 -7.9477 -7.4176 -7.4166 -6.6868 -6.6821 -6.1096 -6.1080 -5.2342 -5.2263 -5.1260 -5.1196 -4.9689 -4.9647 -4.8837 -4.8812 -2.5926 -2.5915 -2.5300 -2.5257 -2.4830 -2.4783 -2.3315 -2.3284 -1.9724 -1.9695 -1.7918 -1.7871 -1.5910 -1.5800 -1.5206 -1.5143 -1.4575 -1.4548 -1.4351 -1.4319 -0.3123 -0.3038 -0.2483 -0.2431 -0.0881 -0.0819 -0.0146 -0.0067 0.1572 0.1620 0.6251 0.6270 8.7211 8.7213 9.3281 9.3284 9.5252 9.5254 10.4758 10.4776 10.7016 10.7081 10.9597 10.9685 k = 0.0000 0.9850-0.1712 ( 6817 PWs) bands (ev): -20.0862 -20.0860 -20.0532 -20.0530 -17.7102 -17.7069 -17.6330 -17.6317 -17.2964 -17.2941 -17.2608 -17.2592 -17.2551 -17.2521 -17.2449 -17.2433 -7.9214 -7.9207 -7.4329 -7.4319 -6.6702 -6.6653 -6.1380 -6.1363 -5.2292 -5.2215 -5.1188 -5.1126 -4.9734 -4.9696 -4.8804 -4.8781 -2.5938 -2.5926 -2.5383 -2.5339 -2.4826 -2.4777 -2.3410 -2.3377 -1.9700 -1.9672 -1.7740 -1.7685 -1.5875 -1.5771 -1.5150 -1.5094 -1.4583 -1.4552 -1.4371 -1.4337 -0.3188 -0.3098 -0.2532 -0.2472 -0.0884 -0.0801 -0.0285 -0.0180 0.1569 0.1617 0.6131 0.6150 8.7511 8.7514 9.3730 9.3733 9.5279 9.5281 10.4186 10.4204 10.7139 10.7210 10.9864 10.9958 k = 0.0000 0.9979-0.1485 ( 6816 PWs) bands (ev): -20.0832 -20.0830 -20.0540 -20.0538 -17.7087 -17.7053 -17.6388 -17.6373 -17.2969 -17.2946 -17.2605 -17.2589 -17.2552 -17.2519 -17.2454 -17.2436 -7.8929 -7.8921 -7.4511 -7.4501 -6.6508 -6.6458 -6.1679 -6.1661 -5.2239 -5.2163 -5.1121 -5.1062 -4.9781 -4.9746 -4.8773 -4.8750 -2.5962 -2.5950 -2.5443 -2.5398 -2.4817 -2.4768 -2.3504 -2.3470 -1.9678 -1.9651 -1.7588 -1.7523 -1.5828 -1.5729 -1.5094 -1.5045 -1.4595 -1.4559 -1.4393 -1.4355 -0.3245 -0.3154 -0.2574 -0.2507 -0.0975 -0.0886 -0.0304 -0.0194 0.1546 0.1594 0.6021 0.6040 8.7823 8.7826 9.4198 9.4201 9.5310 9.5313 10.3499 10.3517 10.7264 10.7340 11.0073 11.0171 k = 0.0000 1.0107-0.1259 ( 6822 PWs) bands (ev): -20.0801 -20.0800 -20.0550 -20.0547 -17.7069 -17.7033 -17.6447 -17.6431 -17.2974 -17.2950 -17.2603 -17.2585 -17.2553 -17.2518 -17.2458 -17.2439 -7.8630 -7.8622 -7.4721 -7.4711 -6.6286 -6.6235 -6.1989 -6.1970 -5.2184 -5.2110 -5.1059 -5.1005 -4.9829 -4.9798 -4.8744 -4.8721 -2.5997 -2.5985 -2.5479 -2.5435 -2.4805 -2.4755 -2.3595 -2.3560 -1.9657 -1.9633 -1.7468 -1.7392 -1.5768 -1.5674 -1.5040 -1.4997 -1.4610 -1.4570 -1.4415 -1.4373 -0.3293 -0.3201 -0.2612 -0.2539 -0.1128 -0.1043 -0.0228 -0.0128 0.1500 0.1548 0.5925 0.5943 8.8141 8.8144 9.4669 9.4672 9.5359 9.5362 10.2724 10.2740 10.7387 10.7467 11.0198 11.0302 k = 0.0000 1.0236-0.1033 ( 6827 PWs) bands (ev): -20.0771 -20.0769 -20.0561 -20.0559 -17.7047 -17.7010 -17.6507 -17.6490 -17.2979 -17.2954 -17.2599 -17.2582 -17.2553 -17.2516 -17.2463 -17.2442 -7.8320 -7.8310 -7.4959 -7.4949 -6.6037 -6.5985 -6.2309 -6.2289 -5.2130 -5.2057 -5.1004 -5.0954 -4.9877 -4.9849 -4.8717 -4.8693 -2.6038 -2.6029 -2.5493 -2.5453 -2.4790 -2.4739 -2.3683 -2.3647 -1.9640 -1.9618 -1.7382 -1.7295 -1.5697 -1.5604 -1.4986 -1.4949 -1.4628 -1.4584 -1.4437 -1.4391 -0.3330 -0.3239 -0.2644 -0.2570 -0.1296 -0.1214 -0.0110 -0.0019 0.1430 0.1478 0.5845 0.5861 8.8459 8.8462 9.5064 9.5066 9.5502 9.5506 10.1889 10.1905 10.7504 10.7587 11.0223 11.0275 k = 0.0000 1.0364-0.0807 ( 6817 PWs) bands (ev): -20.0741 -20.0738 -20.0575 -20.0572 -17.7022 -17.6983 -17.6566 -17.6549 -17.2983 -17.2959 -17.2596 -17.2578 -17.2552 -17.2513 -17.2467 -17.2444 -7.7999 -7.7989 -7.5223 -7.5214 -6.5763 -6.5710 -6.2638 -6.2616 -5.2079 -5.2006 -5.0956 -5.0910 -4.9922 -4.9899 -4.8693 -4.8669 -2.6082 -2.6074 -2.5492 -2.5454 -2.4772 -2.4723 -2.3763 -2.3726 -1.9626 -1.9606 -1.7330 -1.7232 -1.5619 -1.5523 -1.4934 -1.4898 -1.4650 -1.4601 -1.4459 -1.4409 -0.3360 -0.3270 -0.2668 -0.2597 -0.1451 -0.1370 0.0028 0.0112 0.1336 0.1382 0.5782 0.5797 8.8769 8.8772 9.5221 9.5223 9.5896 9.5900 10.1026 10.1040 10.7609 10.7695 11.0149 11.0158 k = 0.0000 1.0493-0.0581 ( 6825 PWs) bands (ev): -20.0711 -20.0709 -20.0590 -20.0588 -17.6993 -17.6952 -17.6625 -17.6607 -17.2988 -17.2963 -17.2593 -17.2575 -17.2551 -17.2511 -17.2470 -17.2446 -7.7671 -7.7660 -7.5513 -7.5504 -6.5467 -6.5412 -6.2974 -6.2950 -5.2034 -5.1961 -5.0913 -5.0873 -4.9965 -4.9947 -4.8673 -4.8648 -2.6121 -2.6116 -2.5479 -2.5445 -2.4753 -2.4707 -2.3833 -2.3796 -1.9616 -1.9599 -1.7308 -1.7202 -1.5539 -1.5439 -1.4883 -1.4847 -1.4675 -1.4623 -1.4481 -1.4427 -0.3386 -0.3298 -0.2678 -0.2616 -0.1581 -0.1501 0.0178 0.0258 0.1217 0.1263 0.5737 0.5750 8.9059 8.9062 9.5261 9.5263 9.6415 9.6420 10.0163 10.0176 10.7700 10.7788 11.0033 11.0048 k = 0.0000 1.0621-0.0355 ( 6815 PWs) bands (ev): -20.0685 -20.0683 -20.0606 -20.0604 -17.6960 -17.6916 -17.6680 -17.6663 -17.2992 -17.2967 -17.2590 -17.2572 -17.2549 -17.2508 -17.2472 -17.2447 -7.7337 -7.7325 -7.5826 -7.5817 -6.5150 -6.5095 -6.3313 -6.3288 -5.1997 -5.1923 -5.0878 -5.0842 -5.0005 -4.9990 -4.8658 -4.8632 -2.6153 -2.6148 -2.5459 -2.5427 -2.4738 -2.4695 -2.3889 -2.3852 -1.9613 -1.9597 -1.7313 -1.7200 -1.5463 -1.5357 -1.4833 -1.4797 -1.4701 -1.4647 -1.4500 -1.4444 -0.3415 -0.3327 -0.2664 -0.2616 -0.1680 -0.1602 0.0336 0.0414 0.1077 0.1121 0.5709 0.5721 8.9313 8.9315 9.5272 9.5274 9.6964 9.6969 9.9335 9.9346 10.7773 10.7862 10.9908 10.9927 k = 0.0000 1.0750-0.0129 ( 6810 PWs) bands (ev): -20.0668 -20.0665 -20.0617 -20.0614 -17.6925 -17.6878 -17.6731 -17.6716 -17.2995 -17.2971 -17.2586 -17.2569 -17.2546 -17.2505 -17.2473 -17.2447 -7.7001 -7.6989 -7.6160 -7.6151 -6.4815 -6.4759 -6.3654 -6.3628 -5.1971 -5.1896 -5.0850 -5.0817 -5.0040 -5.0025 -4.8649 -4.8621 -2.6175 -2.6170 -2.5433 -2.5404 -2.4730 -2.4691 -2.3924 -2.3888 -1.9616 -1.9601 -1.7339 -1.7221 -1.5396 -1.5284 -1.4794 -1.4755 -1.4721 -1.4669 -1.4517 -1.4460 -0.3449 -0.3360 -0.2619 -0.2585 -0.1747 -0.1673 0.0498 0.0576 0.0919 0.0961 0.5698 0.5708 8.9509 8.9510 9.5269 9.5271 9.7490 9.7497 9.8605 9.8613 10.7824 10.7914 10.9774 10.9796 k = 0.0000 1.0879 0.0097 ( 6813 PWs) bands (ev): -20.0674 -20.0672 -20.0607 -20.0605 -17.6895 -17.6843 -17.6767 -17.6759 -17.2999 -17.2974 -17.2583 -17.2565 -17.2543 -17.2503 -17.2472 -17.2447 -7.6680 -7.6670 -7.6498 -7.6487 -6.4471 -6.4411 -6.3989 -6.3965 -5.1957 -5.1880 -5.0831 -5.0797 -5.0071 -5.0051 -4.8645 -4.8616 -2.6183 -2.6179 -2.5403 -2.5376 -2.4734 -2.4697 -2.3935 -2.3899 -1.9628 -1.9611 -1.7381 -1.7260 -1.5339 -1.5225 -1.4797 -1.4735 -1.4718 -1.4662 -1.4531 -1.4476 -0.3485 -0.3394 -0.2543 -0.2515 -0.1787 -0.1718 0.0634 0.0711 0.0788 0.0804 0.5702 0.5711 8.9616 8.9617 9.5255 9.5258 9.7624 9.7636 9.8376 9.8376 10.7851 10.7940 10.9632 10.9657 k = 0.5000 0.5479 0.9399 ( 6844 PWs) bands (ev): -20.0639 -20.0639 -20.0636 -20.0636 -17.6890 -17.6890 -17.6842 -17.6842 -17.2807 -17.2807 -17.2765 -17.2765 -17.2453 -17.2453 -17.2414 -17.2414 -7.6878 -7.6878 -7.6847 -7.6847 -6.3731 -6.3731 -6.3662 -6.3662 -5.1180 -5.1180 -5.1143 -5.1143 -4.9789 -4.9789 -4.9735 -4.9735 -2.5332 -2.5332 -2.5246 -2.5246 -2.4190 -2.4190 -2.4087 -2.4087 -1.8474 -1.8474 -1.8437 -1.8437 -1.7312 -1.7312 -1.7249 -1.7249 -1.4254 -1.4254 -1.4172 -1.4172 -0.2741 -0.2741 -0.2683 -0.2683 0.1210 0.1210 0.1317 0.1317 0.2388 0.2388 0.2485 0.2485 9.1846 9.1846 9.1871 9.1871 9.9526 9.9526 9.9560 9.9560 10.3871 10.3871 10.3929 10.3929 k = 0.5000 0.5218 0.9399 ( 6840 PWs) bands (ev): -20.0641 -20.0641 -20.0637 -20.0637 -17.6882 -17.6882 -17.6833 -17.6833 -17.2810 -17.2810 -17.2767 -17.2767 -17.2456 -17.2456 -17.2417 -17.2417 -7.6874 -7.6874 -7.6842 -7.6842 -6.3730 -6.3730 -6.3661 -6.3661 -5.1185 -5.1185 -5.1150 -5.1150 -4.9796 -4.9796 -4.9743 -4.9743 -2.5328 -2.5328 -2.5243 -2.5243 -2.4174 -2.4174 -2.4072 -2.4072 -1.8455 -1.8455 -1.8419 -1.8419 -1.7330 -1.7330 -1.7267 -1.7267 -1.4253 -1.4253 -1.4171 -1.4171 -0.2753 -0.2753 -0.2695 -0.2695 0.1216 0.1216 0.1323 0.1323 0.2364 0.2364 0.2463 0.2463 9.1801 9.1801 9.1826 9.1826 9.9526 9.9526 9.9559 9.9559 10.3933 10.3933 10.3989 10.3989 k = 0.5000 0.4957 0.9399 ( 6840 PWs) bands (ev): -20.0645 -20.0645 -20.0641 -20.0641 -17.6869 -17.6869 -17.6821 -17.6821 -17.2813 -17.2813 -17.2770 -17.2770 -17.2459 -17.2459 -17.2420 -17.2420 -7.6894 -7.6894 -7.6863 -7.6863 -6.3707 -6.3707 -6.3638 -6.3638 -5.1194 -5.1194 -5.1158 -5.1158 -4.9808 -4.9808 -4.9756 -4.9756 -2.5321 -2.5321 -2.5239 -2.5239 -2.4144 -2.4144 -2.4045 -2.4045 -1.8443 -1.8443 -1.8406 -1.8406 -1.7349 -1.7349 -1.7286 -1.7286 -1.4265 -1.4265 -1.4183 -1.4183 -0.2745 -0.2745 -0.2686 -0.2686 0.1219 0.1219 0.1323 0.1323 0.2358 0.2358 0.2457 0.2457 9.1696 9.1696 9.1720 9.1720 9.9477 9.9477 9.9507 9.9507 10.4090 10.4090 10.4142 10.4142 k = 0.5000 0.4696 0.9399 ( 6836 PWs) bands (ev): -20.0651 -20.0651 -20.0647 -20.0647 -17.6853 -17.6853 -17.6805 -17.6805 -17.2816 -17.2816 -17.2772 -17.2772 -17.2462 -17.2462 -17.2423 -17.2423 -7.6937 -7.6937 -7.6906 -7.6906 -6.3665 -6.3665 -6.3597 -6.3597 -5.1204 -5.1204 -5.1168 -5.1168 -4.9824 -4.9824 -4.9774 -4.9774 -2.5314 -2.5314 -2.5235 -2.5235 -2.4098 -2.4098 -2.4003 -2.4003 -1.8437 -1.8437 -1.8399 -1.8399 -1.7370 -1.7370 -1.7307 -1.7307 -1.4289 -1.4289 -1.4207 -1.4207 -0.2718 -0.2718 -0.2659 -0.2659 0.1216 0.1216 0.1315 0.1315 0.2372 0.2372 0.2467 0.2467 9.1544 9.1544 9.1567 9.1567 9.9369 9.9369 9.9395 9.9395 10.4334 10.4334 10.4382 10.4382 k = 0.5000 0.4435 0.9399 ( 6838 PWs) bands (ev): -20.0658 -20.0658 -20.0655 -20.0655 -17.6833 -17.6833 -17.6785 -17.6785 -17.2819 -17.2819 -17.2775 -17.2775 -17.2464 -17.2464 -17.2426 -17.2426 -7.6999 -7.6999 -7.6970 -7.6970 -6.3605 -6.3605 -6.3539 -6.3539 -5.1216 -5.1216 -5.1179 -5.1179 -4.9846 -4.9846 -4.9796 -4.9796 -2.5307 -2.5307 -2.5233 -2.5233 -2.4037 -2.4037 -2.3946 -2.3946 -1.8439 -1.8439 -1.8400 -1.8400 -1.7394 -1.7394 -1.7329 -1.7329 -1.4325 -1.4325 -1.4244 -1.4244 -0.2675 -0.2675 -0.2616 -0.2616 0.1206 0.1206 0.1296 0.1296 0.2406 0.2406 0.2496 0.2496 9.1358 9.1358 9.1381 9.1381 9.9207 9.9207 9.9229 9.9229 10.4647 10.4647 10.4692 10.4692 k = 0.5000 0.4174 0.9399 ( 6824 PWs) bands (ev): -20.0667 -20.0667 -20.0664 -20.0664 -17.6811 -17.6811 -17.6764 -17.6764 -17.2821 -17.2821 -17.2777 -17.2777 -17.2466 -17.2466 -17.2428 -17.2428 -7.7078 -7.7078 -7.7050 -7.7050 -6.3531 -6.3531 -6.3466 -6.3466 -5.1229 -5.1229 -5.1191 -5.1191 -4.9871 -4.9871 -4.9822 -4.9822 -2.5302 -2.5302 -2.5234 -2.5234 -2.3959 -2.3959 -2.3875 -2.3875 -1.8449 -1.8449 -1.8408 -1.8408 -1.7418 -1.7418 -1.7352 -1.7352 -1.4370 -1.4370 -1.4290 -1.4290 -0.2617 -0.2617 -0.2559 -0.2559 0.1188 0.1188 0.1268 0.1268 0.2460 0.2460 0.2543 0.2543 9.1148 9.1148 9.1170 9.1170 9.9001 9.9001 9.9021 9.9021 10.5007 10.5007 10.5049 10.5049 k = 0.5000 0.3913 0.9399 ( 6826 PWs) bands (ev): -20.0678 -20.0678 -20.0674 -20.0674 -17.6786 -17.6786 -17.6740 -17.6740 -17.2823 -17.2823 -17.2779 -17.2779 -17.2468 -17.2468 -17.2430 -17.2430 -7.7171 -7.7171 -7.7144 -7.7144 -6.3444 -6.3444 -6.3381 -6.3381 -5.1242 -5.1242 -5.1204 -5.1204 -4.9899 -4.9899 -4.9852 -4.9852 -2.5300 -2.5300 -2.5238 -2.5238 -2.3866 -2.3866 -2.3789 -2.3789 -1.8468 -1.8468 -1.8425 -1.8425 -1.7444 -1.7444 -1.7376 -1.7376 -1.4423 -1.4423 -1.4345 -1.4345 -0.2548 -0.2548 -0.2491 -0.2491 0.1161 0.1161 0.1230 0.1230 0.2533 0.2533 0.2609 0.2609 9.0923 9.0923 9.0944 9.0944 9.8765 9.8765 9.8782 9.8782 10.5389 10.5389 10.5429 10.5429 k = 0.5000 0.3652 0.9399 ( 6818 PWs) bands (ev): -20.0689 -20.0689 -20.0686 -20.0686 -17.6759 -17.6759 -17.6715 -17.6715 -17.2824 -17.2824 -17.2781 -17.2781 -17.2469 -17.2469 -17.2432 -17.2432 -7.7275 -7.7275 -7.7249 -7.7249 -6.3348 -6.3348 -6.3287 -6.3287 -5.1256 -5.1256 -5.1217 -5.1217 -4.9930 -4.9930 -4.9884 -4.9884 -2.5300 -2.5300 -2.5245 -2.5245 -2.3759 -2.3759 -2.3689 -2.3689 -1.8498 -1.8498 -1.8453 -1.8453 -1.7469 -1.7469 -1.7400 -1.7400 -1.4482 -1.4482 -1.4406 -1.4406 -0.2470 -0.2470 -0.2414 -0.2414 0.1127 0.1127 0.1185 0.1185 0.2621 0.2621 0.2690 0.2690 9.0690 9.0690 9.0711 9.0711 9.8511 9.8511 9.8526 9.8526 10.5772 10.5772 10.5812 10.5812 k = 0.5000 0.3391 0.9399 ( 6816 PWs) bands (ev): -20.0701 -20.0701 -20.0698 -20.0698 -17.6732 -17.6732 -17.6689 -17.6689 -17.2825 -17.2825 -17.2783 -17.2783 -17.2470 -17.2470 -17.2433 -17.2433 -7.7385 -7.7385 -7.7361 -7.7361 -6.3245 -6.3245 -6.3187 -6.3187 -5.1270 -5.1270 -5.1230 -5.1230 -4.9964 -4.9964 -4.9919 -4.9919 -2.5303 -2.5303 -2.5253 -2.5253 -2.3639 -2.3639 -2.3576 -2.3576 -1.8538 -1.8538 -1.8492 -1.8492 -1.7492 -1.7492 -1.7423 -1.7423 -1.4545 -1.4545 -1.4472 -1.4472 -0.2386 -0.2386 -0.2331 -0.2331 0.1087 0.1087 0.1134 0.1134 0.2722 0.2722 0.2785 0.2785 9.0455 9.0455 9.0475 9.0475 9.8247 9.8247 9.8261 9.8261 10.6141 10.6141 10.6181 10.6181 k = 0.5000 0.3131 0.9399 ( 6818 PWs) bands (ev): -20.0713 -20.0713 -20.0710 -20.0710 -17.6704 -17.6704 -17.6663 -17.6663 -17.2826 -17.2826 -17.2785 -17.2785 -17.2471 -17.2471 -17.2434 -17.2434 -7.7500 -7.7500 -7.7478 -7.7478 -6.3138 -6.3138 -6.3082 -6.3082 -5.1283 -5.1283 -5.1243 -5.1243 -4.9999 -4.9999 -4.9955 -4.9955 -2.5307 -2.5307 -2.5264 -2.5264 -2.3508 -2.3508 -2.3451 -2.3451 -1.8591 -1.8591 -1.8545 -1.8545 -1.7513 -1.7513 -1.7444 -1.7444 -1.4610 -1.4610 -1.4540 -1.4540 -0.2299 -0.2299 -0.2245 -0.2245 0.1042 0.1042 0.1080 0.1080 0.2833 0.2833 0.2891 0.2891 9.0222 9.0222 9.0241 9.0241 9.7984 9.7984 9.7996 9.7996 10.6484 10.6484 10.6524 10.6524 k = 0.5000 0.2870 0.9399 ( 6808 PWs) bands (ev): -20.0725 -20.0725 -20.0723 -20.0723 -17.6676 -17.6676 -17.6636 -17.6636 -17.2827 -17.2827 -17.2787 -17.2787 -17.2471 -17.2471 -17.2435 -17.2435 -7.7617 -7.7617 -7.7596 -7.7596 -6.3029 -6.3029 -6.2977 -6.2977 -5.1296 -5.1296 -5.1256 -5.1256 -5.0035 -5.0035 -4.9993 -4.9993 -2.5314 -2.5314 -2.5276 -2.5276 -2.3369 -2.3369 -2.3318 -2.3318 -1.8656 -1.8656 -1.8611 -1.8611 -1.7531 -1.7531 -1.7462 -1.7462 -1.4675 -1.4675 -1.4608 -1.4608 -0.2210 -0.2210 -0.2158 -0.2158 0.0994 0.0994 0.1025 0.1025 0.2949 0.2949 0.3003 0.3003 8.9996 8.9996 9.0013 9.0013 9.7726 9.7726 9.7738 9.7738 10.6793 10.6793 10.6832 10.6832 k = 0.5000 0.2609 0.9399 ( 6808 PWs) bands (ev): -20.0738 -20.0738 -20.0735 -20.0735 -17.6648 -17.6648 -17.6611 -17.6611 -17.2827 -17.2827 -17.2788 -17.2788 -17.2472 -17.2472 -17.2436 -17.2436 -7.7732 -7.7732 -7.7713 -7.7713 -6.2921 -6.2921 -6.2872 -6.2872 -5.1307 -5.1307 -5.1267 -5.1267 -5.0071 -5.0071 -5.0030 -5.0030 -2.5322 -2.5322 -2.5288 -2.5288 -2.3222 -2.3222 -2.3176 -2.3176 -1.8734 -1.8734 -1.8690 -1.8690 -1.7545 -1.7545 -1.7479 -1.7479 -1.4738 -1.4738 -1.4674 -1.4674 -0.2121 -0.2121 -0.2071 -0.2071 0.0944 0.0944 0.0968 0.0968 0.3069 0.3069 0.3119 0.3119 8.9779 8.9779 8.9795 8.9795 9.7478 9.7478 9.7489 9.7489 10.7064 10.7064 10.7103 10.7103 k = 0.5000 0.2348 0.9399 ( 6808 PWs) bands (ev): -20.0750 -20.0750 -20.0747 -20.0747 -17.6621 -17.6621 -17.6587 -17.6587 -17.2827 -17.2827 -17.2790 -17.2790 -17.2472 -17.2472 -17.2437 -17.2437 -7.7843 -7.7843 -7.7826 -7.7826 -6.2816 -6.2816 -6.2770 -6.2770 -5.1317 -5.1317 -5.1278 -5.1278 -5.0107 -5.0107 -5.0068 -5.0068 -2.5330 -2.5330 -2.5301 -2.5301 -2.3070 -2.3070 -2.3029 -2.3029 -1.8823 -1.8823 -1.8782 -1.8782 -1.7555 -1.7555 -1.7492 -1.7492 -1.4797 -1.4797 -1.4738 -1.4738 -0.2035 -0.2035 -0.1987 -0.1987 0.0893 0.0893 0.0913 0.0913 0.3188 0.3188 0.3236 0.3236 8.9574 8.9574 8.9589 8.9589 9.7245 9.7245 9.7256 9.7256 10.7297 10.7297 10.7334 10.7334 k = 0.5000 0.2087 0.9399 ( 6806 PWs) bands (ev): -20.0761 -20.0761 -20.0759 -20.0759 -17.6595 -17.6595 -17.6564 -17.6564 -17.2827 -17.2827 -17.2791 -17.2791 -17.2472 -17.2472 -17.2437 -17.2437 -7.7949 -7.7949 -7.7933 -7.7933 -6.2716 -6.2716 -6.2674 -6.2674 -5.1325 -5.1325 -5.1288 -5.1288 -5.0141 -5.0141 -5.0104 -5.0104 -2.5339 -2.5339 -2.5313 -2.5313 -2.2916 -2.2916 -2.2879 -2.2879 -1.8922 -1.8922 -1.8884 -1.8884 -1.7561 -1.7561 -1.7504 -1.7504 -1.4851 -1.4851 -1.4797 -1.4797 -0.1954 -0.1954 -0.1908 -0.1908 0.0843 0.0843 0.0859 0.0859 0.3305 0.3305 0.3350 0.3350 8.9385 8.9385 8.9398 8.9398 9.7030 9.7030 9.7040 9.7040 10.7492 10.7492 10.7528 10.7528 k = 0.5000 0.1826 0.9399 ( 6806 PWs) bands (ev): -20.0771 -20.0771 -20.0769 -20.0769 -17.6572 -17.6572 -17.6544 -17.6544 -17.2826 -17.2826 -17.2793 -17.2793 -17.2472 -17.2472 -17.2438 -17.2438 -7.8046 -7.8046 -7.8033 -7.8033 -6.2623 -6.2623 -6.2585 -6.2585 -5.1332 -5.1332 -5.1297 -5.1297 -5.0174 -5.0174 -5.0139 -5.0139 -2.5348 -2.5348 -2.5325 -2.5325 -2.2762 -2.2762 -2.2729 -2.2729 -1.9028 -1.9028 -1.8994 -1.8994 -1.7565 -1.7565 -1.7512 -1.7512 -1.4900 -1.4900 -1.4850 -1.4850 -0.1878 -0.1878 -0.1834 -0.1834 0.0795 0.0795 0.0809 0.0809 0.3415 0.3415 0.3459 0.3459 8.9212 8.9212 8.9224 8.9224 9.6836 9.6836 9.6844 9.6844 10.7654 10.7654 10.7687 10.7687 k = 0.5000 0.1565 0.9399 ( 6810 PWs) bands (ev): -20.0781 -20.0781 -20.0779 -20.0779 -17.6550 -17.6550 -17.6525 -17.6525 -17.2826 -17.2826 -17.2794 -17.2794 -17.2472 -17.2472 -17.2438 -17.2438 -7.8134 -7.8134 -7.8123 -7.8123 -6.2539 -6.2539 -6.2504 -6.2504 -5.1337 -5.1337 -5.1306 -5.1306 -5.0203 -5.0203 -5.0171 -5.0171 -2.5356 -2.5356 -2.5336 -2.5336 -2.2612 -2.2612 -2.2581 -2.2581 -1.9138 -1.9138 -1.9108 -1.9108 -1.7566 -1.7566 -1.7519 -1.7519 -1.4943 -1.4943 -1.4898 -1.4898 -0.1809 -0.1809 -0.1767 -0.1767 0.0749 0.0749 0.0762 0.0762 0.3518 0.3518 0.3559 0.3559 8.9059 8.9059 8.9070 8.9070 9.6664 9.6664 9.6671 9.6671 10.7786 10.7786 10.7816 10.7816 k = 0.5000 0.1304 0.9399 ( 6814 PWs) bands (ev): -20.0789 -20.0789 -20.0788 -20.0788 -17.6531 -17.6531 -17.6510 -17.6510 -17.2825 -17.2825 -17.2795 -17.2795 -17.2472 -17.2472 -17.2438 -17.2438 -7.8211 -7.8211 -7.8202 -7.8202 -6.2465 -6.2465 -6.2434 -6.2434 -5.1341 -5.1341 -5.1313 -5.1313 -5.0230 -5.0230 -5.0200 -5.0200 -2.5363 -2.5363 -2.5345 -2.5345 -2.2469 -2.2469 -2.2441 -2.2441 -1.9247 -1.9247 -1.9221 -1.9221 -1.7565 -1.7565 -1.7525 -1.7525 -1.4979 -1.4979 -1.4939 -1.4939 -0.1748 -0.1748 -0.1709 -0.1709 0.0709 0.0709 0.0720 0.0720 0.3609 0.3609 0.3648 0.3648 8.8926 8.8926 8.8936 8.8936 9.6515 9.6515 9.6522 9.6522 10.7891 10.7891 10.7918 10.7918 k = 0.5000 0.1044 0.9399 ( 6822 PWs) bands (ev): -20.0796 -20.0796 -20.0795 -20.0795 -17.6514 -17.6514 -17.6497 -17.6497 -17.2825 -17.2825 -17.2796 -17.2796 -17.2471 -17.2471 -17.2439 -17.2439 -7.8276 -7.8276 -7.8268 -7.8268 -6.2402 -6.2402 -6.2375 -6.2375 -5.1343 -5.1343 -5.1320 -5.1320 -5.0252 -5.0252 -5.0225 -5.0225 -2.5369 -2.5369 -2.5353 -2.5353 -2.2338 -2.2338 -2.2314 -2.2314 -1.9350 -1.9350 -1.9328 -1.9328 -1.7563 -1.7563 -1.7529 -1.7529 -1.5008 -1.5008 -1.4973 -1.4973 -0.1696 -0.1696 -0.1659 -0.1659 0.0674 0.0674 0.0684 0.0684 0.3686 0.3686 0.3724 0.3724 8.8816 8.8816 8.8824 8.8824 9.6393 9.6393 9.6399 9.6399 10.7973 10.7973 10.7997 10.7997 k = 0.5000 0.0783 0.9399 ( 6824 PWs) bands (ev): -20.0801 -20.0801 -20.0800 -20.0800 -17.6501 -17.6501 -17.6487 -17.6487 -17.2824 -17.2824 -17.2797 -17.2797 -17.2471 -17.2471 -17.2439 -17.2439 -7.8327 -7.8327 -7.8321 -7.8321 -6.2352 -6.2352 -6.2329 -6.2329 -5.1344 -5.1344 -5.1325 -5.1325 -5.0269 -5.0269 -5.0246 -5.0246 -2.5375 -2.5375 -2.5360 -2.5360 -2.2226 -2.2226 -2.2204 -2.2204 -1.9441 -1.9441 -1.9424 -1.9424 -1.7561 -1.7561 -1.7533 -1.7533 -1.5031 -1.5031 -1.5000 -1.5000 -0.1654 -0.1654 -0.1620 -0.1620 0.0645 0.0645 0.0655 0.0655 0.3749 0.3749 0.3786 0.3786 8.8729 8.8729 8.8736 8.8736 9.6296 9.6296 9.6301 9.6301 10.8034 10.8034 10.8055 10.8055 k = 0.5000 0.0522 0.9399 ( 6820 PWs) bands (ev): -20.0805 -20.0805 -20.0805 -20.0805 -17.6490 -17.6490 -17.6481 -17.6481 -17.2824 -17.2824 -17.2797 -17.2797 -17.2471 -17.2471 -17.2439 -17.2439 -7.8363 -7.8363 -7.8359 -7.8359 -6.2315 -6.2315 -6.2295 -6.2295 -5.1343 -5.1343 -5.1330 -5.1330 -5.0282 -5.0282 -5.0261 -5.0261 -2.5378 -2.5378 -2.5365 -2.5365 -2.2138 -2.2138 -2.2119 -2.2119 -1.9512 -1.9512 -1.9500 -1.9500 -1.7558 -1.7558 -1.7535 -1.7535 -1.5046 -1.5046 -1.5019 -1.5019 -0.1624 -0.1624 -0.1591 -0.1591 0.0625 0.0625 0.0633 0.0633 0.3794 0.3794 0.3830 0.3830 8.8666 8.8666 8.8672 8.8672 9.6227 9.6227 9.6231 9.6231 10.8077 10.8077 10.8095 10.8095 k = 0.5000 0.0261 0.9399 ( 6824 PWs) bands (ev): -20.0808 -20.0808 -20.0807 -20.0807 -17.6483 -17.6483 -17.6477 -17.6477 -17.2823 -17.2823 -17.2797 -17.2797 -17.2471 -17.2471 -17.2439 -17.2439 -7.8385 -7.8385 -7.8383 -7.8383 -6.2292 -6.2292 -6.2275 -6.2275 -5.1341 -5.1341 -5.1335 -5.1335 -5.0290 -5.0290 -5.0271 -5.0271 -2.5381 -2.5381 -2.5368 -2.5368 -2.2083 -2.2083 -2.2065 -2.2065 -1.9557 -1.9557 -1.9550 -1.9550 -1.7556 -1.7556 -1.7537 -1.7537 -1.5056 -1.5056 -1.5031 -1.5031 -0.1605 -0.1605 -0.1573 -0.1573 0.0612 0.0612 0.0619 0.0619 0.3822 0.3822 0.3858 0.3858 8.8628 8.8628 8.8634 8.8634 9.6185 9.6185 9.6189 9.6189 10.8102 10.8102 10.8118 10.8118 k = 0.5000-0.0000 0.9399 ( 6832 PWs) bands (ev): -20.0809 -20.0809 -20.0808 -20.0808 -17.6481 -17.6481 -17.6476 -17.6476 -17.2823 -17.2823 -17.2798 -17.2798 -17.2471 -17.2471 -17.2439 -17.2439 -7.8392 -7.8392 -7.8392 -7.8392 -6.2285 -6.2285 -6.2268 -6.2268 -5.1340 -5.1340 -5.1337 -5.1337 -5.0292 -5.0292 -5.0274 -5.0274 -2.5381 -2.5381 -2.5368 -2.5368 -2.2063 -2.2063 -2.2046 -2.2046 -1.9573 -1.9573 -1.9568 -1.9568 -1.7555 -1.7555 -1.7538 -1.7538 -1.5059 -1.5059 -1.5035 -1.5035 -0.1599 -0.1599 -0.1567 -0.1567 0.0607 0.0607 0.0615 0.0615 0.3832 0.3832 0.3867 0.3867 8.8616 8.8616 8.8621 8.8621 9.6171 9.6171 9.6175 9.6175 10.8111 10.8111 10.8125 10.8125 k = 0.5000-0.0000 0.9399 ( 6832 PWs) bands (ev): -20.0809 -20.0809 -20.0808 -20.0808 -17.6481 -17.6481 -17.6476 -17.6476 -17.2823 -17.2823 -17.2798 -17.2798 -17.2471 -17.2471 -17.2439 -17.2439 -7.8392 -7.8392 -7.8392 -7.8392 -6.2285 -6.2285 -6.2268 -6.2268 -5.1340 -5.1340 -5.1337 -5.1337 -5.0292 -5.0292 -5.0274 -5.0274 -2.5381 -2.5381 -2.5368 -2.5368 -2.2063 -2.2063 -2.2046 -2.2046 -1.9573 -1.9573 -1.9568 -1.9568 -1.7555 -1.7555 -1.7538 -1.7538 -1.5059 -1.5059 -1.5035 -1.5035 -0.1599 -0.1599 -0.1567 -0.1567 0.0607 0.0607 0.0615 0.0615 0.3832 0.3832 0.3867 0.3867 8.8616 8.8616 8.8621 8.8621 9.6171 9.6171 9.6175 9.6175 10.8111 10.8111 10.8125 10.8125 k = 0.5000-0.0000 0.9138 ( 6830 PWs) bands (ev): -20.0811 -20.0811 -20.0810 -20.0810 -17.6476 -17.6476 -17.6472 -17.6472 -17.2823 -17.2823 -17.2797 -17.2797 -17.2471 -17.2471 -17.2439 -17.2439 -7.8413 -7.8413 -7.8413 -7.8413 -6.2271 -6.2271 -6.2254 -6.2254 -5.1345 -5.1345 -5.1339 -5.1339 -5.0298 -5.0298 -5.0279 -5.0279 -2.5371 -2.5371 -2.5358 -2.5358 -2.2061 -2.2061 -2.2044 -2.2044 -1.9579 -1.9579 -1.9573 -1.9573 -1.7552 -1.7552 -1.7535 -1.7535 -1.5059 -1.5059 -1.5036 -1.5036 -0.1584 -0.1584 -0.1552 -0.1552 0.0611 0.0611 0.0621 0.0621 0.3833 0.3833 0.3869 0.3869 8.8532 8.8532 8.8537 8.8537 9.6249 9.6249 9.6253 9.6253 10.8108 10.8108 10.8123 10.8123 k = 0.5000-0.0000 0.8877 ( 6816 PWs) bands (ev): -20.0818 -20.0818 -20.0818 -20.0818 -17.6463 -17.6463 -17.6457 -17.6457 -17.2823 -17.2823 -17.2797 -17.2797 -17.2470 -17.2470 -17.2438 -17.2438 -7.8476 -7.8476 -7.8475 -7.8475 -6.2228 -6.2228 -6.2211 -6.2211 -5.1358 -5.1358 -5.1347 -5.1347 -5.0314 -5.0314 -5.0293 -5.0293 -2.5340 -2.5340 -2.5327 -2.5327 -2.2054 -2.2054 -2.2036 -2.2036 -1.9596 -1.9596 -1.9588 -1.9588 -1.7543 -1.7543 -1.7524 -1.7524 -1.5062 -1.5062 -1.5038 -1.5038 -0.1541 -0.1541 -0.1508 -0.1508 0.0622 0.0622 0.0638 0.0638 0.3839 0.3839 0.3875 0.3875 8.8290 8.8290 8.8295 8.8295 9.6473 9.6473 9.6477 9.6477 10.8101 10.8101 10.8116 10.8116 k = 0.5000-0.0000 0.8616 ( 6822 PWs) bands (ev): -20.0830 -20.0830 -20.0830 -20.0830 -17.6441 -17.6441 -17.6433 -17.6433 -17.2822 -17.2822 -17.2795 -17.2795 -17.2469 -17.2469 -17.2436 -17.2436 -7.8579 -7.8579 -7.8578 -7.8578 -6.2158 -6.2158 -6.2140 -6.2140 -5.1378 -5.1378 -5.1363 -5.1363 -5.0340 -5.0340 -5.0316 -5.0316 -2.5289 -2.5289 -2.5276 -2.5276 -2.2042 -2.2042 -2.2024 -2.2024 -1.9625 -1.9625 -1.9614 -1.9614 -1.7528 -1.7528 -1.7507 -1.7507 -1.5066 -1.5066 -1.5041 -1.5041 -0.1470 -0.1470 -0.1434 -0.1434 0.0643 0.0643 0.0665 0.0665 0.3849 0.3849 0.3885 0.3885 8.7917 8.7917 8.7921 8.7921 9.6816 9.6816 9.6821 9.6821 10.8088 10.8088 10.8104 10.8104 k = 0.5000-0.0000 0.8354 ( 6828 PWs) bands (ev): -20.0847 -20.0847 -20.0846 -20.0846 -17.6409 -17.6409 -17.6400 -17.6400 -17.2821 -17.2821 -17.2794 -17.2794 -17.2467 -17.2467 -17.2434 -17.2434 -7.8721 -7.8721 -7.8720 -7.8720 -6.2062 -6.2062 -6.2042 -6.2042 -5.1405 -5.1405 -5.1385 -5.1385 -5.0376 -5.0376 -5.0349 -5.0349 -2.5219 -2.5219 -2.5205 -2.5205 -2.2026 -2.2026 -2.2007 -2.2007 -1.9663 -1.9663 -1.9649 -1.9649 -1.7507 -1.7507 -1.7484 -1.7484 -1.5071 -1.5071 -1.5045 -1.5045 -0.1373 -0.1373 -0.1334 -0.1334 0.0673 0.0673 0.0702 0.0702 0.3864 0.3864 0.3900 0.3900 8.7443 8.7443 8.7447 8.7447 9.7246 9.7246 9.7253 9.7253 10.8069 10.8069 10.8085 10.8085 k = 0.5000-0.0000 0.8093 ( 6832 PWs) bands (ev): -20.0868 -20.0868 -20.0867 -20.0867 -17.6369 -17.6369 -17.6358 -17.6358 -17.2819 -17.2819 -17.2791 -17.2791 -17.2465 -17.2465 -17.2432 -17.2432 -7.8899 -7.8899 -7.8897 -7.8897 -6.1943 -6.1943 -6.1921 -6.1921 -5.1439 -5.1439 -5.1414 -5.1414 -5.0422 -5.0422 -5.0392 -5.0392 -2.5130 -2.5130 -2.5116 -2.5116 -2.2005 -2.2005 -2.1985 -2.1985 -1.9710 -1.9710 -1.9694 -1.9694 -1.7480 -1.7480 -1.7454 -1.7454 -1.5077 -1.5077 -1.5051 -1.5051 -0.1251 -0.1251 -0.1208 -0.1208 0.0713 0.0713 0.0750 0.0750 0.3883 0.3883 0.3920 0.3920 8.6896 8.6896 8.6899 8.6899 9.7736 9.7736 9.7744 9.7744 10.8042 10.8042 10.8059 10.8059 k = 0.5000-0.0000 0.7832 ( 6838 PWs) bands (ev): -20.0894 -20.0894 -20.0893 -20.0893 -17.6321 -17.6321 -17.6308 -17.6308 -17.2817 -17.2817 -17.2789 -17.2789 -17.2463 -17.2463 -17.2428 -17.2428 -7.9111 -7.9111 -7.9109 -7.9109 -6.1801 -6.1801 -6.1778 -6.1778 -5.1479 -5.1479 -5.1450 -5.1450 -5.0477 -5.0477 -5.0443 -5.0443 -2.5024 -2.5024 -2.5009 -2.5009 -2.1980 -2.1980 -2.1959 -2.1959 -1.9764 -1.9764 -1.9747 -1.9747 -1.7447 -1.7447 -1.7418 -1.7418 -1.5085 -1.5085 -1.5057 -1.5057 -0.1107 -0.1107 -0.1059 -0.1059 0.0763 0.0763 0.0807 0.0807 0.3908 0.3908 0.3945 0.3945 8.6297 8.6297 8.6300 8.6300 9.8262 9.8262 9.8272 9.8272 10.8005 10.8005 10.8024 10.8024 k = 0.5000-0.0000 0.7571 ( 6838 PWs) bands (ev): -20.0923 -20.0923 -20.0922 -20.0922 -17.6265 -17.6265 -17.6250 -17.6250 -17.2815 -17.2815 -17.2786 -17.2786 -17.2460 -17.2460 -17.2424 -17.2424 -7.9352 -7.9352 -7.9350 -7.9350 -6.1640 -6.1640 -6.1615 -6.1615 -5.1526 -5.1526 -5.1491 -5.1491 -5.0541 -5.0541 -5.0503 -5.0503 -2.4902 -2.4902 -2.4887 -2.4887 -2.1952 -2.1952 -2.1929 -2.1929 -1.9826 -1.9826 -1.9807 -1.9807 -1.7408 -1.7408 -1.7377 -1.7377 -1.5094 -1.5094 -1.5064 -1.5064 -0.0945 -0.0945 -0.0891 -0.0891 0.0823 0.0823 0.0876 0.0876 0.3938 0.3938 0.3976 0.3976 8.5663 8.5663 8.5666 8.5666 9.8806 9.8806 9.8817 9.8817 10.7958 10.7958 10.7978 10.7978 k = 0.5000-0.0000 0.7310 ( 6834 PWs) bands (ev): -20.0957 -20.0957 -20.0956 -20.0956 -17.6202 -17.6202 -17.6185 -17.6185 -17.2812 -17.2812 -17.2782 -17.2782 -17.2456 -17.2456 -17.2420 -17.2420 -7.9620 -7.9620 -7.9618 -7.9618 -6.1463 -6.1463 -6.1436 -6.1436 -5.1577 -5.1577 -5.1539 -5.1539 -5.0613 -5.0613 -5.0571 -5.0571 -2.4766 -2.4766 -2.4750 -2.4750 -2.1919 -2.1919 -2.1895 -2.1895 -1.9893 -1.9893 -1.9872 -1.9872 -1.7364 -1.7364 -1.7330 -1.7330 -1.5103 -1.5103 -1.5072 -1.5072 -0.0767 -0.0767 -0.0706 -0.0706 0.0894 0.0894 0.0956 0.0956 0.3976 0.3976 0.4015 0.4015 8.5007 8.5007 8.5010 8.5010 9.9353 9.9353 9.9367 9.9367 10.7899 10.7899 10.7921 10.7921 k = 0.5000-0.0000 0.7049 ( 6842 PWs) bands (ev): -20.0994 -20.0994 -20.0992 -20.0992 -17.6131 -17.6131 -17.6113 -17.6113 -17.2809 -17.2809 -17.2778 -17.2778 -17.2452 -17.2452 -17.2415 -17.2415 -7.9911 -7.9911 -7.9909 -7.9909 -6.1272 -6.1272 -6.1243 -6.1243 -5.1635 -5.1635 -5.1592 -5.1592 -5.0693 -5.0693 -5.0647 -5.0647 -2.4617 -2.4617 -2.4600 -2.4600 -2.1883 -2.1883 -2.1857 -2.1857 -1.9964 -1.9964 -1.9943 -1.9943 -1.7315 -1.7315 -1.7277 -1.7277 -1.5113 -1.5113 -1.5079 -1.5079 -0.0578 -0.0578 -0.0510 -0.0510 0.0977 0.0977 0.1047 0.1047 0.4022 0.4022 0.4062 0.4062 8.4337 8.4337 8.4340 8.4340 9.9893 9.9893 9.9910 9.9910 10.7828 10.7828 10.7851 10.7851 k = 0.5000-0.0000 0.6788 ( 6842 PWs) bands (ev): -20.1034 -20.1034 -20.1032 -20.1032 -17.6055 -17.6055 -17.6035 -17.6035 -17.2806 -17.2806 -17.2774 -17.2774 -17.2447 -17.2447 -17.2409 -17.2409 -8.0222 -8.0222 -8.0219 -8.0219 -6.1068 -6.1068 -6.1038 -6.1038 -5.1697 -5.1697 -5.1650 -5.1650 -5.0780 -5.0780 -5.0731 -5.0731 -2.4458 -2.4458 -2.4440 -2.4440 -2.1843 -2.1843 -2.1815 -2.1815 -2.0039 -2.0039 -2.0016 -2.0016 -1.7261 -1.7261 -1.7219 -1.7219 -1.5124 -1.5124 -1.5088 -1.5088 -0.0381 -0.0381 -0.0305 -0.0305 0.1070 0.1070 0.1149 0.1149 0.4078 0.4078 0.4118 0.4118 8.3660 8.3660 8.3662 8.3662 10.0414 10.0414 10.0435 10.0435 10.7745 10.7745 10.7770 10.7770 k = 0.5000-0.0000 0.6527 ( 6844 PWs) bands (ev): -20.1076 -20.1076 -20.1075 -20.1075 -17.5973 -17.5973 -17.5951 -17.5951 -17.2802 -17.2802 -17.2769 -17.2769 -17.2442 -17.2442 -17.2403 -17.2403 -8.0549 -8.0549 -8.0546 -8.0546 -6.0856 -6.0856 -6.0824 -6.0824 -5.1763 -5.1763 -5.1712 -5.1712 -5.0873 -5.0873 -5.0821 -5.0821 -2.4290 -2.4290 -2.4271 -2.4271 -2.1801 -2.1801 -2.1771 -2.1771 -2.0116 -2.0116 -2.0092 -2.0092 -1.7202 -1.7202 -1.7155 -1.7155 -1.5135 -1.5135 -1.5096 -1.5096 -0.0181 -0.0181 -0.0097 -0.0097 0.1175 0.1175 0.1262 0.1262 0.4146 0.4146 0.4187 0.4187 8.2981 8.2981 8.2984 8.2984 10.0909 10.0909 10.0935 10.0935 10.7651 10.7651 10.7678 10.7678 k = 0.5000-0.0000 0.6266 ( 6846 PWs) bands (ev): -20.1122 -20.1122 -20.1120 -20.1120 -17.5887 -17.5887 -17.5863 -17.5863 -17.2798 -17.2798 -17.2763 -17.2763 -17.2436 -17.2436 -17.2396 -17.2396 -8.0888 -8.0888 -8.0886 -8.0886 -6.0637 -6.0637 -6.0604 -6.0604 -5.1833 -5.1833 -5.1779 -5.1779 -5.0973 -5.0973 -5.0917 -5.0917 -2.4115 -2.4115 -2.4095 -2.4095 -2.1756 -2.1756 -2.1724 -2.1724 -2.0193 -2.0193 -2.0169 -2.0169 -1.7138 -1.7138 -1.7087 -1.7087 -1.5146 -1.5146 -1.5104 -1.5104 0.0020 0.0020 0.0111 0.0111 0.1291 0.1291 0.1385 0.1385 0.4227 0.4227 0.4268 0.4268 8.2305 8.2305 8.2308 8.2308 10.1369 10.1369 10.1401 10.1401 10.7550 10.7550 10.7581 10.7581 k = 0.5000-0.0000 0.6005 ( 6844 PWs) bands (ev): -20.1169 -20.1169 -20.1167 -20.1167 -17.5796 -17.5796 -17.5771 -17.5771 -17.2794 -17.2794 -17.2758 -17.2758 -17.2429 -17.2429 -17.2388 -17.2388 -8.1237 -8.1237 -8.1234 -8.1234 -6.0413 -6.0413 -6.0378 -6.0378 -5.1907 -5.1907 -5.1849 -5.1849 -5.1078 -5.1078 -5.1019 -5.1019 -2.3935 -2.3935 -2.3915 -2.3915 -2.1710 -2.1710 -2.1675 -2.1675 -2.0270 -2.0270 -2.0246 -2.0246 -1.7069 -1.7069 -1.7014 -1.7014 -1.5157 -1.5157 -1.5112 -1.5112 0.0218 0.0218 0.0315 0.0315 0.1415 0.1415 0.1515 0.1515 0.4323 0.4323 0.4366 0.4366 8.1636 8.1636 8.1638 8.1638 10.1784 10.1784 10.1823 10.1823 10.7448 10.7448 10.7484 10.7484 k = 0.5000-0.0000 0.5744 ( 6844 PWs) bands (ev): -20.1218 -20.1218 -20.1216 -20.1216 -17.5702 -17.5702 -17.5675 -17.5675 -17.2789 -17.2789 -17.2752 -17.2752 -17.2422 -17.2422 -17.2380 -17.2380 -8.1593 -8.1593 -8.1590 -8.1590 -6.0185 -6.0185 -6.0149 -6.0149 -5.1983 -5.1983 -5.1923 -5.1923 -5.1188 -5.1188 -5.1126 -5.1126 -2.3754 -2.3754 -2.3733 -2.3733 -2.1662 -2.1662 -2.1625 -2.1625 -2.0346 -2.0346 -2.0321 -2.0321 -1.6996 -1.6996 -1.6937 -1.6937 -1.5168 -1.5168 -1.5120 -1.5120 0.0411 0.0411 0.0512 0.0512 0.1547 0.1547 0.1649 0.1649 0.4437 0.4437 0.4480 0.4480 8.0976 8.0976 8.0978 8.0978 10.2145 10.2145 10.2193 10.2193 10.7352 10.7352 10.7394 10.7394 k = 0.5000-0.0000 0.5483 ( 6838 PWs) bands (ev): -20.1268 -20.1268 -20.1266 -20.1266 -17.5606 -17.5606 -17.5578 -17.5578 -17.2784 -17.2784 -17.2746 -17.2746 -17.2414 -17.2414 -17.2371 -17.2371 -8.1951 -8.1951 -8.1948 -8.1948 -5.9956 -5.9956 -5.9919 -5.9919 -5.2062 -5.2062 -5.1998 -5.1998 -5.1301 -5.1301 -5.1237 -5.1237 -2.3572 -2.3572 -2.3550 -2.3550 -2.1613 -2.1613 -2.1574 -2.1574 -2.0419 -2.0419 -2.0394 -2.0394 -1.6919 -1.6919 -1.6855 -1.6855 -1.5180 -1.5180 -1.5127 -1.5127 0.0598 0.0598 0.0701 0.0701 0.1682 0.1682 0.1785 0.1785 0.4571 0.4571 0.4614 0.4614 8.0327 8.0327 8.0330 8.0330 10.2444 10.2444 10.2502 10.2502 10.7273 10.7273 10.7322 10.7322 k = 0.5000-0.0000 0.5222 ( 6836 PWs) bands (ev): -20.1319 -20.1319 -20.1317 -20.1317 -17.5509 -17.5509 -17.5479 -17.5479 -17.2778 -17.2778 -17.2739 -17.2739 -17.2405 -17.2405 -17.2361 -17.2361 -8.2311 -8.2311 -8.2308 -8.2308 -5.9727 -5.9727 -5.9689 -5.9689 -5.2142 -5.2142 -5.2076 -5.2076 -5.1418 -5.1418 -5.1352 -5.1352 -2.3391 -2.3391 -2.3369 -2.3369 -2.1565 -2.1565 -2.1522 -2.1522 -2.0488 -2.0488 -2.0464 -2.0464 -1.6839 -1.6839 -1.6769 -1.6769 -1.5191 -1.5191 -1.5134 -1.5134 0.0778 0.0778 0.0882 0.0882 0.1816 0.1816 0.1918 0.1918 0.4725 0.4725 0.4768 0.4768 7.9693 7.9693 7.9696 7.9696 10.2671 10.2671 10.2738 10.2738 10.7221 10.7221 10.7278 10.7278 k = 0.5000-0.0000 0.4960 ( 6840 PWs) bands (ev): -20.1370 -20.1370 -20.1369 -20.1369 -17.5410 -17.5410 -17.5379 -17.5379 -17.2772 -17.2772 -17.2732 -17.2732 -17.2395 -17.2395 -17.2351 -17.2351 -8.2668 -8.2668 -8.2666 -8.2666 -5.9499 -5.9499 -5.9460 -5.9460 -5.2223 -5.2223 -5.2155 -5.2155 -5.1538 -5.1538 -5.1469 -5.1469 -2.3214 -2.3214 -2.3192 -2.3192 -2.1517 -2.1517 -2.1472 -2.1472 -2.0552 -2.0552 -2.0529 -2.0529 -1.6756 -1.6756 -1.6680 -1.6680 -1.5202 -1.5202 -1.5140 -1.5140 0.0952 0.0952 0.1055 0.1055 0.1945 0.1945 0.2044 0.2044 0.4899 0.4899 0.4942 0.4942 7.9076 7.9076 7.9079 7.9079 10.2820 10.2820 10.2897 10.2897 10.7207 10.7207 10.7271 10.7271 k = 0.5000-0.0000 0.4699 ( 6852 PWs) bands (ev): -20.1422 -20.1422 -20.1420 -20.1420 -17.5312 -17.5312 -17.5280 -17.5280 -17.2766 -17.2766 -17.2726 -17.2726 -17.2385 -17.2385 -17.2340 -17.2340 -8.3022 -8.3022 -8.3019 -8.3019 -5.9273 -5.9273 -5.9233 -5.9233 -5.2305 -5.2305 -5.2235 -5.2235 -5.1660 -5.1660 -5.1589 -5.1589 -2.3042 -2.3042 -2.3020 -2.3020 -2.1472 -2.1472 -2.1424 -2.1424 -2.0611 -2.0611 -2.0587 -2.0587 -1.6670 -1.6670 -1.6588 -1.6588 -1.5213 -1.5213 -1.5146 -1.5146 0.1121 0.1121 0.1222 0.1222 0.2066 0.2066 0.2162 0.2162 0.5093 0.5093 0.5135 0.5135 7.8477 7.8477 7.8480 7.8480 10.2891 10.2891 10.2976 10.2976 10.7235 10.7235 10.7305 10.7305 k = 0.5000-0.0000 0.4438 ( 6848 PWs) bands (ev): -20.1473 -20.1473 -20.1471 -20.1471 -17.5215 -17.5215 -17.5182 -17.5182 -17.2759 -17.2759 -17.2718 -17.2718 -17.2374 -17.2374 -17.2328 -17.2328 -8.3368 -8.3368 -8.3365 -8.3365 -5.9051 -5.9051 -5.9010 -5.9010 -5.2387 -5.2387 -5.2315 -5.2315 -5.1784 -5.1784 -5.1711 -5.1711 -2.2877 -2.2877 -2.2855 -2.2855 -2.1429 -2.1429 -2.1378 -2.1378 -2.0662 -2.0662 -2.0639 -2.0639 -1.6582 -1.6582 -1.6494 -1.6494 -1.5224 -1.5224 -1.5151 -1.5151 0.1284 0.1284 0.1383 0.1383 0.2177 0.2177 0.2269 0.2269 0.5304 0.5304 0.5346 0.5346 7.7899 7.7899 7.7902 7.7902 10.2889 10.2889 10.2978 10.2978 10.7306 10.7306 10.7379 10.7379 k = 0.5000-0.0000 0.4177 ( 6854 PWs) bands (ev): -20.1523 -20.1523 -20.1522 -20.1522 -17.5120 -17.5120 -17.5087 -17.5087 -17.2752 -17.2752 -17.2711 -17.2711 -17.2362 -17.2362 -17.2316 -17.2316 -8.3706 -8.3706 -8.3703 -8.3703 -5.8833 -5.8833 -5.8791 -5.8791 -5.2468 -5.2468 -5.2395 -5.2395 -5.1908 -5.1908 -5.1834 -5.1834 -2.2720 -2.2720 -2.2698 -2.2698 -2.1391 -2.1391 -2.1338 -2.1338 -2.0704 -2.0704 -2.0682 -2.0682 -1.6493 -1.6493 -1.6399 -1.6399 -1.5234 -1.5234 -1.5155 -1.5155 0.1441 0.1441 0.1539 0.1539 0.2276 0.2276 0.2366 0.2366 0.5529 0.5529 0.5570 0.5570 7.7342 7.7342 7.7345 7.7345 10.2823 10.2823 10.2915 10.2915 10.7415 10.7415 10.7490 10.7490 k = 0.5000-0.0000 0.3916 ( 6852 PWs) bands (ev): -20.1573 -20.1573 -20.1571 -20.1571 -17.5027 -17.5027 -17.4994 -17.4994 -17.2745 -17.2745 -17.2704 -17.2704 -17.2349 -17.2349 -17.2304 -17.2304 -8.4033 -8.4033 -8.4031 -8.4031 -5.8620 -5.8620 -5.8578 -5.8578 -5.2549 -5.2549 -5.2474 -5.2474 -5.2033 -5.2033 -5.1957 -5.1957 -2.2573 -2.2573 -2.2552 -2.2552 -2.1359 -2.1359 -2.1303 -2.1303 -2.0736 -2.0736 -2.0715 -2.0715 -1.6404 -1.6404 -1.6303 -1.6303 -1.5244 -1.5244 -1.5158 -1.5158 0.1593 0.1593 0.1689 0.1689 0.2366 0.2366 0.2454 0.2454 0.5764 0.5764 0.5804 0.5804 7.6810 7.6810 7.6813 7.6813 10.2708 10.2708 10.2799 10.2799 10.7553 10.7553 10.7627 10.7627 k = 0.5000-0.0000 0.3655 ( 6850 PWs) bands (ev): -20.1620 -20.1620 -20.1619 -20.1619 -17.4938 -17.4938 -17.4904 -17.4904 -17.2738 -17.2738 -17.2697 -17.2697 -17.2335 -17.2335 -17.2290 -17.2290 -8.4348 -8.4348 -8.4345 -8.4345 -5.8412 -5.8412 -5.8370 -5.8370 -5.2627 -5.2627 -5.2552 -5.2552 -5.2156 -5.2156 -5.2080 -5.2080 -2.2437 -2.2437 -2.2416 -2.2416 -2.1332 -2.1332 -2.1275 -2.1275 -2.0757 -2.0757 -2.0737 -2.0737 -1.6316 -1.6316 -1.6207 -1.6207 -1.5254 -1.5254 -1.5160 -1.5160 0.1738 0.1738 0.1834 0.1834 0.2445 0.2445 0.2533 0.2533 0.6006 0.6006 0.6044 0.6044 7.6303 7.6303 7.6306 7.6306 10.2555 10.2555 10.2645 10.2645 10.7711 10.7711 10.7783 10.7783 k = 0.5000-0.0000 0.3394 ( 6868 PWs) bands (ev): -20.1667 -20.1667 -20.1665 -20.1665 -17.4853 -17.4853 -17.4819 -17.4819 -17.2730 -17.2730 -17.2691 -17.2691 -17.2320 -17.2320 -17.2277 -17.2277 -8.4648 -8.4648 -8.4646 -8.4646 -5.8211 -5.8211 -5.8170 -5.8170 -5.2703 -5.2703 -5.2627 -5.2627 -5.2279 -5.2279 -5.2202 -5.2202 -2.2314 -2.2314 -2.2292 -2.2292 -2.1311 -2.1311 -2.1254 -2.1254 -2.0766 -2.0766 -2.0747 -2.0747 -1.6229 -1.6229 -1.6113 -1.6113 -1.5263 -1.5263 -1.5162 -1.5162 0.1875 0.1875 0.1972 0.1972 0.2518 0.2518 0.2607 0.2607 0.6249 0.6249 0.6285 0.6285 7.5823 7.5823 7.5826 7.5826 10.2378 10.2378 10.2465 10.2465 10.7881 10.7881 10.7950 10.7950 k = 0.5000-0.0000 0.3133 ( 6866 PWs) bands (ev): -20.1710 -20.1710 -20.1709 -20.1709 -17.4772 -17.4772 -17.4738 -17.4738 -17.2723 -17.2723 -17.2684 -17.2684 -17.2305 -17.2305 -17.2263 -17.2263 -8.4932 -8.4932 -8.4930 -8.4930 -5.8018 -5.8018 -5.7977 -5.7977 -5.2777 -5.2777 -5.2700 -5.2700 -5.2399 -5.2399 -5.2322 -5.2322 -2.2203 -2.2203 -2.2182 -2.2182 -2.1295 -2.1295 -2.1239 -2.1239 -2.0764 -2.0764 -2.0748 -2.0748 -1.6144 -1.6144 -1.6021 -1.6021 -1.5271 -1.5271 -1.5162 -1.5162 0.2003 0.2003 0.2100 0.2100 0.2586 0.2586 0.2678 0.2678 0.6489 0.6489 0.6524 0.6524 7.5372 7.5372 7.5374 7.5374 10.2188 10.2188 10.2271 10.2271 10.8057 10.8057 10.8123 10.8123 k = 0.5000-0.0000 0.2872 ( 6870 PWs) bands (ev): -20.1752 -20.1752 -20.1751 -20.1751 -17.4696 -17.4696 -17.4663 -17.4663 -17.2715 -17.2715 -17.2678 -17.2678 -17.2290 -17.2290 -17.2249 -17.2249 -8.5199 -8.5199 -8.5197 -8.5197 -5.7832 -5.7832 -5.7792 -5.7792 -5.2847 -5.2847 -5.2771 -5.2771 -5.2516 -5.2516 -5.2439 -5.2439 -2.2106 -2.2106 -2.2085 -2.2085 -2.1281 -2.1281 -2.1228 -2.1228 -2.0754 -2.0754 -2.0741 -2.0741 -1.6063 -1.6063 -1.5932 -1.5932 -1.5279 -1.5279 -1.5162 -1.5162 0.2119 0.2119 0.2217 0.2217 0.2653 0.2653 0.2747 0.2747 0.6724 0.6724 0.6756 0.6756 7.4950 7.4950 7.4953 7.4953 10.1992 10.1992 10.2070 10.2070 10.8233 10.8233 10.8295 10.8295 k = 0.5000-0.0000 0.2611 ( 6866 PWs) bands (ev): -20.1791 -20.1791 -20.1790 -20.1790 -17.4625 -17.4625 -17.4594 -17.4594 -17.2707 -17.2707 -17.2673 -17.2673 -17.2274 -17.2274 -17.2235 -17.2235 -8.5448 -8.5448 -8.5446 -8.5446 -5.7656 -5.7656 -5.7616 -5.7616 -5.2915 -5.2915 -5.2838 -5.2838 -5.2629 -5.2629 -5.2552 -5.2552 -2.2025 -2.2025 -2.2004 -2.2004 -2.1267 -2.1267 -2.1217 -2.1217 -2.0738 -2.0738 -2.0727 -2.0727 -1.5987 -1.5987 -1.5849 -1.5849 -1.5285 -1.5285 -1.5161 -1.5161 0.2220 0.2220 0.2318 0.2318 0.2722 0.2722 0.2816 0.2816 0.6949 0.6949 0.6978 0.6978 7.4560 7.4560 7.4562 7.4562 10.1797 10.1797 10.1870 10.1870 10.8405 10.8405 10.8464 10.8464 k = 0.5000-0.0000 0.2350 ( 6864 PWs) bands (ev): -20.1827 -20.1827 -20.1826 -20.1826 -17.4560 -17.4560 -17.4531 -17.4531 -17.2700 -17.2700 -17.2668 -17.2668 -17.2258 -17.2258 -17.2222 -17.2222 -8.5676 -8.5676 -8.5674 -8.5674 -5.7489 -5.7489 -5.7451 -5.7451 -5.2978 -5.2978 -5.2902 -5.2902 -5.2737 -5.2737 -5.2660 -5.2660 -2.1958 -2.1958 -2.1938 -2.1938 -2.1249 -2.1249 -2.1204 -2.1204 -2.0718 -2.0718 -2.0710 -2.0710 -1.5915 -1.5915 -1.5771 -1.5771 -1.5290 -1.5290 -1.5159 -1.5159 0.2307 0.2307 0.2401 0.2401 0.2795 0.2795 0.2888 0.2888 0.7161 0.7161 0.7188 0.7188 7.4203 7.4203 7.4205 7.4205 10.1609 10.1609 10.1676 10.1676 10.8571 10.8571 10.8627 10.8627 k = 0.5000-0.0000 0.2089 ( 6866 PWs) bands (ev): -20.1860 -20.1860 -20.1859 -20.1859 -17.4502 -17.4502 -17.4475 -17.4475 -17.2693 -17.2693 -17.2663 -17.2663 -17.2242 -17.2242 -17.2209 -17.2209 -8.5883 -8.5883 -8.5881 -8.5881 -5.7333 -5.7333 -5.7297 -5.7297 -5.3039 -5.3039 -5.2963 -5.2963 -5.2836 -5.2836 -5.2761 -5.2761 -2.1906 -2.1906 -2.1888 -2.1888 -2.1228 -2.1228 -2.1188 -2.1188 -2.0698 -2.0698 -2.0691 -2.0691 -1.5849 -1.5849 -1.5702 -1.5702 -1.5292 -1.5292 -1.5157 -1.5157 0.2378 0.2378 0.2467 0.2467 0.2872 0.2872 0.2961 0.2961 0.7358 0.7358 0.7383 0.7383 7.3880 7.3880 7.3881 7.3881 10.1432 10.1432 10.1494 10.1494 10.8726 10.8726 10.8781 10.8781 k = 0.5000-0.0000 0.1828 ( 6868 PWs) bands (ev): -20.1889 -20.1889 -20.1888 -20.1888 -17.4450 -17.4450 -17.4425 -17.4425 -17.2686 -17.2686 -17.2659 -17.2659 -17.2227 -17.2227 -17.2197 -17.2197 -8.6068 -8.6068 -8.6067 -8.6067 -5.7190 -5.7190 -5.7156 -5.7156 -5.3096 -5.3096 -5.3022 -5.3022 -5.2925 -5.2925 -5.2853 -5.2853 -2.1867 -2.1867 -2.1851 -2.1851 -2.1204 -2.1204 -2.1168 -2.1168 -2.0678 -2.0678 -2.0672 -2.0672 -1.5789 -1.5789 -1.5642 -1.5642 -1.5291 -1.5291 -1.5154 -1.5154 0.2435 0.2435 0.2517 0.2517 0.2950 0.2950 0.3033 0.3033 0.7538 0.7538 0.7559 0.7559 7.3591 7.3591 7.3593 7.3593 10.1271 10.1271 10.1325 10.1325 10.8863 10.8863 10.8924 10.8924 k = 0.5000-0.0000 0.1566 ( 6860 PWs) bands (ev): -20.1915 -20.1915 -20.1914 -20.1914 -17.4404 -17.4404 -17.4383 -17.4383 -17.2679 -17.2679 -17.2656 -17.2656 -17.2212 -17.2212 -17.2186 -17.2186 -8.6231 -8.6231 -8.6229 -8.6229 -5.7060 -5.7060 -5.7029 -5.7029 -5.3153 -5.3153 -5.3080 -5.3080 -5.3002 -5.3002 -5.2932 -5.2932 -2.1840 -2.1840 -2.1826 -2.1826 -2.1176 -2.1176 -2.1146 -2.1146 -2.0660 -2.0660 -2.0654 -2.0654 -1.5735 -1.5735 -1.5593 -1.5593 -1.5285 -1.5285 -1.5152 -1.5152 0.2480 0.2480 0.2555 0.2555 0.3026 0.3026 0.3103 0.3103 0.7698 0.7698 0.7716 0.7716 7.3339 7.3339 7.3341 7.3341 10.1126 10.1126 10.1173 10.1173 10.8975 10.8975 10.9053 10.9053 k = 0.5000-0.0000 0.1305 ( 6858 PWs) bands (ev): -20.1937 -20.1937 -20.1937 -20.1937 -17.4365 -17.4365 -17.4347 -17.4347 -17.2673 -17.2673 -17.2654 -17.2654 -17.2199 -17.2199 -17.2177 -17.2177 -8.6369 -8.6369 -8.6368 -8.6368 -5.6945 -5.6945 -5.6918 -5.6918 -5.3208 -5.3208 -5.3136 -5.3136 -5.3065 -5.3065 -5.2997 -5.2997 -2.1821 -2.1821 -2.1809 -2.1809 -2.1148 -2.1148 -2.1124 -2.1124 -2.0644 -2.0644 -2.0639 -2.0639 -1.5688 -1.5688 -1.5557 -1.5557 -1.5274 -1.5274 -1.5151 -1.5151 0.2514 0.2514 0.2582 0.2582 0.3096 0.3096 0.3167 0.3167 0.7836 0.7836 0.7852 0.7852 7.3124 7.3124 7.3126 7.3126 10.1001 10.1001 10.1041 10.1041 10.9054 10.9054 10.9160 10.9160 k = 0.5000-0.0000 0.1044 ( 6854 PWs) bands (ev): -20.1956 -20.1956 -20.1955 -20.1955 -17.4333 -17.4333 -17.4318 -17.4318 -17.2668 -17.2668 -17.2652 -17.2652 -17.2187 -17.2187 -17.2169 -17.2169 -8.6484 -8.6484 -8.6483 -8.6483 -5.6847 -5.6847 -5.6825 -5.6825 -5.3260 -5.3260 -5.3188 -5.3188 -5.3114 -5.3114 -5.3046 -5.3046 -2.1808 -2.1808 -2.1799 -2.1799 -2.1122 -2.1122 -2.1103 -2.1103 -2.0630 -2.0630 -2.0626 -2.0626 -1.5647 -1.5647 -1.5534 -1.5534 -1.5257 -1.5257 -1.5151 -1.5151 0.2539 0.2539 0.2603 0.2603 0.3157 0.3157 0.3222 0.3222 0.7951 0.7951 0.7964 0.7964 7.2947 7.2947 7.2948 7.2948 10.0898 10.0898 10.0930 10.0930 10.9098 10.9098 10.9237 10.9237 k = 0.5000-0.0000 0.0783 ( 6864 PWs) bands (ev): -20.1970 -20.1970 -20.1970 -20.1970 -17.4307 -17.4307 -17.4296 -17.4296 -17.2663 -17.2663 -17.2651 -17.2651 -17.2177 -17.2177 -17.2163 -17.2163 -8.6573 -8.6573 -8.6572 -8.6572 -5.6768 -5.6768 -5.6750 -5.6750 -5.3306 -5.3306 -5.3234 -5.3234 -5.3151 -5.3151 -5.3081 -5.3081 -2.1800 -2.1800 -2.1794 -2.1794 -2.1100 -2.1100 -2.1086 -2.1086 -2.0620 -2.0620 -2.0616 -2.0616 -1.5613 -1.5613 -1.5523 -1.5523 -1.5238 -1.5238 -1.5153 -1.5153 0.2558 0.2558 0.2617 0.2617 0.3206 0.3206 0.3268 0.3268 0.8043 0.8043 0.8052 0.8052 7.2809 7.2809 7.2810 7.2810 10.0817 10.0817 10.0841 10.0841 10.9111 10.9111 10.9280 10.9280 k = 0.5000-0.0000 0.0522 ( 6862 PWs) bands (ev): -20.1980 -20.1980 -20.1980 -20.1980 -17.4288 -17.4288 -17.4280 -17.4280 -17.2659 -17.2659 -17.2651 -17.2651 -17.2169 -17.2169 -17.2160 -17.2160 -8.6637 -8.6637 -8.6637 -8.6637 -5.6709 -5.6709 -5.6697 -5.6697 -5.3342 -5.3342 -5.3270 -5.3270 -5.3175 -5.3175 -5.3104 -5.3104 -2.1796 -2.1796 -2.1791 -2.1791 -2.1082 -2.1082 -2.1073 -2.1073 -2.0612 -2.0612 -2.0609 -2.0609 -1.5583 -1.5583 -1.5522 -1.5522 -1.5217 -1.5217 -1.5159 -1.5159 0.2571 0.2571 0.2627 0.2627 0.3242 0.3242 0.3301 0.3301 0.8109 0.8109 0.8115 0.8115 7.2710 7.2710 7.2710 7.2710 10.0760 10.0760 10.0776 10.0776 10.9106 10.9106 10.9293 10.9293 k = 0.5000-0.0000 0.0261 ( 6858 PWs) bands (ev): -20.1986 -20.1986 -20.1986 -20.1986 -17.4276 -17.4276 -17.4272 -17.4272 -17.2656 -17.2656 -17.2652 -17.2652 -17.2163 -17.2163 -17.2158 -17.2158 -8.6676 -8.6676 -8.6675 -8.6675 -5.6671 -5.6671 -5.6665 -5.6665 -5.3365 -5.3365 -5.3292 -5.3292 -5.3190 -5.3190 -5.3118 -5.3118 -2.1793 -2.1793 -2.1790 -2.1790 -2.1070 -2.1070 -2.1065 -2.1065 -2.0607 -2.0607 -2.0605 -2.0605 -1.5560 -1.5560 -1.5529 -1.5529 -1.5197 -1.5197 -1.5168 -1.5168 0.2578 0.2578 0.2633 0.2633 0.3264 0.3264 0.3322 0.3322 0.8150 0.8150 0.8153 0.8153 7.2650 7.2650 7.2650 7.2650 10.0727 10.0727 10.0735 10.0735 10.9098 10.9098 10.9292 10.9292 k = 0.5000-0.0000-0.0000 ( 6858 PWs) bands (ev): -20.1988 -20.1988 -20.1988 -20.1988 -17.4271 -17.4271 -17.4271 -17.4271 -17.2654 -17.2654 -17.2654 -17.2654 -17.2159 -17.2159 -17.2159 -17.2159 -8.6688 -8.6688 -8.6688 -8.6688 -5.6657 -5.6657 -5.6657 -5.6657 -5.3372 -5.3372 -5.3300 -5.3300 -5.3194 -5.3194 -5.3123 -5.3123 -2.1792 -2.1792 -2.1789 -2.1789 -2.1065 -2.1065 -2.1063 -2.1063 -2.0605 -2.0605 -2.0604 -2.0604 -1.5543 -1.5543 -1.5541 -1.5541 -1.5183 -1.5183 -1.5179 -1.5179 0.2581 0.2581 0.2635 0.2635 0.3272 0.3272 0.3329 0.3329 0.8164 0.8164 0.8165 0.8165 7.2630 7.2630 7.2630 7.2630 10.0718 10.0718 10.0719 10.0719 10.9094 10.9094 10.9290 10.9290 k = 0.0000 0.0000 0.9399 ( 6802 PWs) bands (ev): -20.1104 -20.1104 -20.0504 -20.0504 -17.7060 -17.7060 -17.5794 -17.5794 -17.2955 -17.2955 -17.2686 -17.2686 -17.2559 -17.2559 -17.2446 -17.2446 -8.0963 -8.0963 -7.3843 -7.3843 -6.7043 -6.7043 -5.9506 -5.9506 -5.2418 -5.2418 -5.2311 -5.2311 -4.9483 -4.9483 -4.9007 -4.9007 -2.5891 -2.5891 -2.4509 -2.4509 -2.4084 -2.4084 -2.2603 -2.2603 -1.9771 -1.9771 -1.9723 -1.9723 -1.5922 -1.5922 -1.5346 -1.5346 -1.4715 -1.4715 -1.4429 -1.4429 -0.2647 -0.2647 -0.1785 -0.1785 -0.1119 -0.1119 0.0515 0.0515 0.1622 0.1622 0.6858 0.6858 8.5504 8.5504 9.0362 9.0362 9.5012 9.5012 10.5642 10.5642 10.6679 10.6679 10.7527 10.7527 k = 0.0263-0.0000 0.9399 ( 6816 PWs) bands (ev): -20.1104 -20.1104 -20.0505 -20.0505 -17.7059 -17.7058 -17.5797 -17.5796 -17.2955 -17.2953 -17.2689 -17.2683 -17.2562 -17.2556 -17.2447 -17.2445 -8.0955 -8.0955 -7.3871 -7.3870 -6.7015 -6.7014 -5.9516 -5.9514 -5.2414 -5.2413 -5.2306 -5.2305 -4.9488 -4.9488 -4.9013 -4.9011 -2.5890 -2.5890 -2.4517 -2.4512 -2.4076 -2.4075 -2.2599 -2.2593 -1.9771 -1.9769 -1.9724 -1.9722 -1.5930 -1.5923 -1.5359 -1.5357 -1.4727 -1.4720 -1.4434 -1.4433 -0.2642 -0.2638 -0.1779 -0.1774 -0.1118 -0.1113 0.0518 0.0519 0.1625 0.1631 0.6847 0.6848 8.5513 8.5513 9.0373 9.0373 9.4987 9.4987 10.5514 10.5528 10.6694 10.6697 10.7605 10.7621 k = 0.0526-0.0000 0.9399 ( 6816 PWs) bands (ev): -20.1101 -20.1100 -20.0508 -20.0508 -17.7053 -17.7053 -17.5805 -17.5804 -17.2954 -17.2951 -17.2693 -17.2682 -17.2563 -17.2551 -17.2448 -17.2444 -8.0933 -8.0933 -7.3951 -7.3950 -6.6934 -6.6931 -5.9541 -5.9537 -5.2401 -5.2399 -5.2291 -5.2290 -4.9502 -4.9502 -4.9028 -4.9025 -2.5886 -2.5885 -2.4534 -2.4525 -2.4052 -2.4049 -2.2580 -2.2569 -1.9770 -1.9767 -1.9724 -1.9720 -1.5948 -1.5934 -1.5397 -1.5393 -1.4754 -1.4740 -1.4447 -1.4446 -0.2623 -0.2615 -0.1757 -0.1746 -0.1111 -0.1100 0.0527 0.0530 0.1639 0.1651 0.6814 0.6816 8.5540 8.5541 9.0403 9.0404 9.4912 9.4913 10.5199 10.5219 10.6742 10.6747 10.7808 10.7833 k = 0.0789-0.0000 0.9399 ( 6828 PWs) bands (ev): -20.1096 -20.1096 -20.0514 -20.0513 -17.7044 -17.7043 -17.5818 -17.5816 -17.2952 -17.2947 -17.2698 -17.2682 -17.2563 -17.2545 -17.2448 -17.2442 -8.0896 -8.0896 -7.4079 -7.4078 -6.6802 -6.6798 -5.9582 -5.9576 -5.2379 -5.2377 -5.2266 -5.2264 -4.9525 -4.9525 -4.9053 -4.9049 -2.5878 -2.5876 -2.4559 -2.4547 -2.4011 -2.4007 -2.2549 -2.2532 -1.9767 -1.9763 -1.9723 -1.9717 -1.5976 -1.5954 -1.5459 -1.5454 -1.4794 -1.4774 -1.4467 -1.4466 -0.2591 -0.2579 -0.1722 -0.1705 -0.1095 -0.1078 0.0542 0.0547 0.1664 0.1682 0.6761 0.6764 8.5586 8.5586 9.0453 9.0454 9.4793 9.4794 10.4776 10.4799 10.6816 10.6823 10.8053 10.8084 k = 0.1053-0.0000 0.9399 ( 6824 PWs) bands (ev): -20.1089 -20.1089 -20.0521 -20.0521 -17.7031 -17.7030 -17.5836 -17.5834 -17.2948 -17.2942 -17.2704 -17.2683 -17.2562 -17.2539 -17.2449 -17.2440 -8.0844 -8.0844 -7.4250 -7.4249 -6.6626 -6.6621 -5.9640 -5.9632 -5.2349 -5.2346 -5.2232 -5.2229 -4.9557 -4.9557 -4.9088 -4.9083 -2.5867 -2.5865 -2.4593 -2.4577 -2.3955 -2.3949 -2.2506 -2.2484 -1.9763 -1.9758 -1.9722 -1.9714 -1.6016 -1.5987 -1.5545 -1.5538 -1.4845 -1.4818 -1.4494 -1.4493 -0.2547 -0.2532 -0.1677 -0.1654 -0.1068 -0.1044 0.0564 0.0570 0.1701 0.1724 0.6687 0.6692 8.5649 8.5650 9.0519 9.0520 9.4637 9.4638 10.4292 10.4315 10.6909 10.6919 10.8293 10.8326 k = 0.1316-0.0000 0.9399 ( 6822 PWs) bands (ev): -20.1080 -20.1080 -20.0530 -20.0530 -17.7015 -17.7013 -17.5858 -17.5856 -17.2944 -17.2936 -17.2710 -17.2686 -17.2559 -17.2533 -17.2449 -17.2438 -8.0778 -8.0778 -7.4457 -7.4456 -6.6413 -6.6407 -5.9713 -5.9704 -5.2311 -5.2308 -5.2188 -5.2184 -4.9598 -4.9598 -4.9132 -4.9126 -2.5853 -2.5851 -2.4633 -2.4615 -2.3882 -2.3875 -2.2453 -2.2426 -1.9758 -1.9751 -1.9719 -1.9710 -1.6070 -1.6035 -1.5653 -1.5646 -1.4902 -1.4868 -1.4525 -1.4525 -0.2493 -0.2474 -0.1629 -0.1600 -0.1025 -0.0996 0.0591 0.0598 0.1748 0.1778 0.6592 0.6599 8.5731 8.5732 9.0598 9.0599 9.4453 9.4455 10.3771 10.3793 10.7014 10.7025 10.8503 10.8537 k = 0.1579-0.0000 0.9399 ( 6814 PWs) bands (ev): -20.1069 -20.1069 -20.0541 -20.0541 -17.6995 -17.6993 -17.5885 -17.5883 -17.2938 -17.2929 -17.2716 -17.2690 -17.2555 -17.2525 -17.2449 -17.2436 -8.0697 -8.0696 -7.4692 -7.4691 -6.6170 -6.6162 -5.9803 -5.9792 -5.2264 -5.2262 -5.2135 -5.2130 -4.9647 -4.9646 -4.9186 -4.9177 -2.5836 -2.5834 -2.4678 -2.4658 -2.3795 -2.3787 -2.2391 -2.2361 -1.9751 -1.9744 -1.9715 -1.9705 -1.6139 -1.6098 -1.5782 -1.5775 -1.4959 -1.4921 -1.4560 -1.4560 -0.2429 -0.2408 -0.1583 -0.1549 -0.0964 -0.0930 0.0622 0.0631 0.1808 0.1842 0.6479 0.6487 8.5831 8.5832 9.0682 9.0684 9.4256 9.4257 10.3226 10.3247 10.7122 10.7134 10.8673 10.8706 k = 0.1842-0.0000 0.9399 ( 6812 PWs) bands (ev): -20.1057 -20.1057 -20.0554 -20.0554 -17.6972 -17.6970 -17.5917 -17.5914 -17.2932 -17.2921 -17.2723 -17.2695 -17.2550 -17.2518 -17.2449 -17.2434 -8.0601 -8.0601 -7.4950 -7.4949 -6.5903 -6.5894 -5.9907 -5.9895 -5.2211 -5.2208 -5.2073 -5.2067 -4.9703 -4.9703 -4.9247 -4.9238 -2.5816 -2.5814 -2.4728 -2.4706 -2.3694 -2.3685 -2.2323 -2.2290 -1.9743 -1.9737 -1.9710 -1.9699 -1.6225 -1.6180 -1.5929 -1.5922 -1.5014 -1.4971 -1.4598 -1.4597 -0.2359 -0.2335 -0.1544 -0.1507 -0.0882 -0.0845 0.0657 0.0667 0.1879 0.1918 0.6347 0.6356 8.5948 8.5950 9.0763 9.0765 9.4059 9.4061 10.2666 10.2686 10.7225 10.7239 10.8797 10.8830 k = 0.2105-0.0000 0.9399 ( 6814 PWs) bands (ev): -20.1043 -20.1043 -20.0569 -20.0569 -17.6945 -17.6943 -17.5952 -17.5949 -17.2925 -17.2912 -17.2730 -17.2700 -17.2544 -17.2511 -17.2449 -17.2432 -8.0491 -8.0491 -7.5225 -7.5223 -6.5618 -6.5608 -6.0028 -6.0014 -5.2150 -5.2149 -5.2004 -5.1996 -4.9766 -4.9765 -4.9317 -4.9306 -2.5793 -2.5791 -2.4780 -2.4758 -2.3579 -2.3570 -2.2252 -2.2216 -1.9734 -1.9729 -1.9702 -1.9691 -1.6329 -1.6281 -1.6092 -1.6084 -1.5061 -1.5016 -1.4639 -1.4636 -0.2284 -0.2258 -0.1513 -0.1475 -0.0778 -0.0741 0.0693 0.0704 0.1963 0.2006 0.6198 0.6209 8.6084 8.6086 9.0826 9.0829 9.3884 9.3885 10.2097 10.2115 10.7320 10.7334 10.8876 10.8907 k = 0.2368-0.0000 0.9399 ( 6816 PWs) bands (ev): -20.1027 -20.1027 -20.0585 -20.0585 -17.6915 -17.6913 -17.5991 -17.5987 -17.2917 -17.2903 -17.2737 -17.2707 -17.2537 -17.2503 -17.2449 -17.2431 -8.0367 -8.0366 -7.5511 -7.5510 -6.5319 -6.5309 -6.0163 -6.0149 -5.2084 -5.2083 -5.1927 -5.1919 -4.9835 -4.9833 -4.9394 -4.9382 -2.5767 -2.5766 -2.4835 -2.4812 -2.3453 -2.3443 -2.2180 -2.2142 -1.9722 -1.9720 -1.9692 -1.9683 -1.6449 -1.6400 -1.6266 -1.6258 -1.5098 -1.5053 -1.4680 -1.4676 -0.2207 -0.2178 -0.1492 -0.1454 -0.0657 -0.0622 0.0729 0.0741 0.2060 0.2106 0.6032 0.6045 8.6236 8.6239 9.0854 9.0858 9.3754 9.3754 10.1523 10.1539 10.7404 10.7419 10.8911 10.8941 k = 0.2632-0.0000 0.9399 ( 6818 PWs) bands (ev): -20.1010 -20.1010 -20.0603 -20.0603 -17.6882 -17.6879 -17.6032 -17.6029 -17.2909 -17.2894 -17.2744 -17.2714 -17.2530 -17.2495 -17.2449 -17.2429 -8.0229 -8.0228 -7.5805 -7.5804 -6.5012 -6.5001 -6.0314 -6.0298 -5.2012 -5.2012 -5.1845 -5.1836 -4.9908 -4.9906 -4.9478 -4.9465 -2.5738 -2.5738 -2.4891 -2.4868 -2.3316 -2.3307 -2.2110 -2.2070 -1.9710 -1.9710 -1.9680 -1.9672 -1.6582 -1.6533 -1.6446 -1.6439 -1.5126 -1.5081 -1.4722 -1.4716 -0.2128 -0.2099 -0.1479 -0.1442 -0.0524 -0.0491 0.0762 0.0775 0.2171 0.2220 0.5852 0.5866 8.6406 8.6409 9.0828 9.0833 9.3691 9.3691 10.0948 10.0963 10.7479 10.7493 10.8909 10.8936 k = 0.2895-0.0000 0.9399 ( 6818 PWs) bands (ev): -20.0991 -20.0991 -20.0623 -20.0622 -17.6847 -17.6843 -17.6077 -17.6073 -17.2900 -17.2883 -17.2752 -17.2722 -17.2523 -17.2488 -17.2450 -17.2428 -8.0076 -8.0075 -7.6104 -7.6103 -6.4700 -6.4688 -6.0479 -6.0463 -5.1936 -5.1935 -5.1759 -5.1749 -4.9984 -4.9981 -4.9568 -4.9554 -2.5708 -2.5707 -2.4948 -2.4925 -2.3171 -2.3162 -2.2044 -2.2003 -1.9698 -1.9695 -1.9666 -1.9660 -1.6726 -1.6680 -1.6627 -1.6621 -1.5144 -1.5101 -1.4764 -1.4757 -0.2051 -0.2021 -0.1473 -0.1437 -0.0384 -0.0353 0.0791 0.0804 0.2297 0.2348 0.5658 0.5673 8.6593 8.6596 9.0735 9.0740 9.3712 9.3712 10.0375 10.0389 10.7545 10.7559 10.8873 10.8899 k = 0.3158-0.0000 0.9399 ( 6818 PWs) bands (ev): -20.0971 -20.0971 -20.0643 -20.0643 -17.6808 -17.6805 -17.6123 -17.6119 -17.2891 -17.2873 -17.2760 -17.2730 -17.2516 -17.2480 -17.2451 -17.2427 -7.9910 -7.9909 -7.6404 -7.6404 -6.4385 -6.4373 -6.0659 -6.0642 -5.1856 -5.1855 -5.1670 -5.1661 -5.0061 -5.0058 -4.9663 -4.9647 -2.5675 -2.5672 -2.5005 -2.4983 -2.3019 -2.3012 -2.1986 -2.1945 -1.9685 -1.9679 -1.9650 -1.9646 -1.6877 -1.6838 -1.6799 -1.6799 -1.5154 -1.5113 -1.4806 -1.4797 -0.1977 -0.1946 -0.1472 -0.1438 -0.0240 -0.0212 0.0813 0.0824 0.2439 0.2490 0.5452 0.5469 8.6796 8.6799 9.0575 9.0581 9.3821 9.3821 9.9808 9.9820 10.7606 10.7620 10.8811 10.8835 k = 0.3421-0.0000 0.9399 ( 6816 PWs) bands (ev): -20.0950 -20.0950 -20.0665 -20.0664 -17.6767 -17.6763 -17.6172 -17.6168 -17.2882 -17.2862 -17.2769 -17.2739 -17.2509 -17.2473 -17.2452 -17.2427 -7.9731 -7.9730 -7.6704 -7.6704 -6.4070 -6.4057 -6.0852 -6.0835 -5.1773 -5.1771 -5.1582 -5.1573 -5.0137 -5.0133 -4.9761 -4.9744 -2.5639 -2.5636 -2.5061 -2.5041 -2.2864 -2.2859 -2.1939 -2.1899 -1.9669 -1.9662 -1.9634 -1.9631 -1.7029 -1.7002 -1.6967 -1.6956 -1.5156 -1.5117 -1.4847 -1.4836 -0.1907 -0.1875 -0.1477 -0.1443 -0.0096 -0.0071 0.0825 0.0835 0.2597 0.2648 0.5235 0.5255 8.7015 8.7018 9.0360 9.0366 9.4009 9.4009 9.9248 9.9258 10.7664 10.7678 10.8730 10.8752 k = 0.3684-0.0000 0.9399 ( 6818 PWs) bands (ev): -20.0928 -20.0928 -20.0687 -20.0687 -17.6724 -17.6720 -17.6222 -17.6217 -17.2872 -17.2852 -17.2777 -17.2748 -17.2501 -17.2466 -17.2454 -17.2428 -7.9538 -7.9537 -7.7001 -7.7001 -6.3758 -6.3744 -6.1060 -6.1042 -5.1689 -5.1686 -5.1497 -5.1489 -5.0209 -5.0202 -4.9861 -4.9844 -2.5602 -2.5597 -2.5118 -2.5098 -2.2708 -2.2705 -2.1907 -2.1869 -1.9651 -1.9643 -1.9617 -1.9614 -1.7177 -1.7158 -1.7120 -1.7102 -1.5152 -1.5116 -1.4887 -1.4874 -0.1841 -0.1809 -0.1486 -0.1453 0.0043 0.0066 0.0825 0.0833 0.2772 0.2821 0.5010 0.5032 8.7249 8.7253 9.0104 9.0110 9.4263 9.4263 9.8698 9.8707 10.7724 10.7738 10.8634 10.8655 k = 0.3947-0.0000 0.9399 ( 6816 PWs) bands (ev): -20.0906 -20.0905 -20.0711 -20.0710 -17.6678 -17.6674 -17.6273 -17.6268 -17.2862 -17.2841 -17.2786 -17.2757 -17.2495 -17.2460 -17.2456 -17.2429 -7.9333 -7.9332 -7.7293 -7.7293 -6.3449 -6.3435 -6.1280 -6.1263 -5.1605 -5.1602 -5.1422 -5.1415 -5.0270 -5.0261 -4.9962 -4.9943 -2.5562 -2.5555 -2.5173 -2.5154 -2.2555 -2.2555 -2.1894 -2.1858 -1.9631 -1.9623 -1.9601 -1.9598 -1.7310 -1.7296 -1.7256 -1.7235 -1.5142 -1.5108 -1.4926 -1.4911 -0.1781 -0.1749 -0.1499 -0.1467 0.0177 0.0196 0.0813 0.0818 0.2961 0.3007 0.4779 0.4803 8.7498 8.7502 8.9823 8.9828 9.4570 9.4571 9.8160 9.8168 10.7788 10.7802 10.8530 10.8549 k = 0.4211-0.0000 0.9399 ( 6814 PWs) bands (ev): -20.0882 -20.0882 -20.0735 -20.0734 -17.6631 -17.6627 -17.6325 -17.6320 -17.2852 -17.2830 -17.2795 -17.2767 -17.2488 -17.2459 -17.2454 -17.2430 -7.9115 -7.9114 -7.7580 -7.7580 -6.3147 -6.3132 -6.1514 -6.1496 -5.1524 -5.1520 -5.1362 -5.1358 -5.0315 -5.0304 -5.0059 -5.0040 -2.5520 -2.5512 -2.5227 -2.5210 -2.2411 -2.2408 -2.1901 -2.1870 -1.9611 -1.9605 -1.9587 -1.9584 -1.7421 -1.7408 -1.7372 -1.7351 -1.5127 -1.5096 -1.4962 -1.4945 -0.1727 -0.1695 -0.1517 -0.1486 0.0302 0.0318 0.0786 0.0788 0.3163 0.3207 0.4543 0.4570 8.7760 8.7765 8.9526 8.9531 9.4921 9.4923 9.7636 9.7643 10.7857 10.7871 10.8422 10.8440 k = 0.4474-0.0000 0.9399 ( 6826 PWs) bands (ev): -20.0858 -20.0857 -20.0759 -20.0759 -17.6582 -17.6578 -17.6377 -17.6372 -17.2843 -17.2819 -17.2804 -17.2777 -17.2482 -17.2462 -17.2448 -17.2432 -7.8885 -7.8884 -7.7859 -7.7859 -6.2851 -6.2835 -6.1759 -6.1742 -5.1450 -5.1446 -5.1325 -5.1323 -5.0337 -5.0323 -5.0150 -5.0131 -2.5476 -2.5466 -2.5280 -2.5264 -2.2279 -2.2272 -2.1932 -2.1904 -1.9594 -1.9588 -1.9577 -1.9573 -1.7501 -1.7488 -1.7464 -1.7444 -1.5108 -1.5080 -1.4997 -1.4978 -0.1679 -0.1647 -0.1540 -0.1508 0.0416 0.0430 0.0743 0.0744 0.3377 0.3419 0.4305 0.4335 8.8035 8.8040 8.9222 8.9227 9.5309 9.5311 9.7129 9.7134 10.7934 10.7948 10.8315 10.8331 k = 0.4737-0.0000 0.9399 ( 6828 PWs) bands (ev): -20.0833 -20.0833 -20.0784 -20.0783 -17.6532 -17.6528 -17.6429 -17.6425 -17.2833 -17.2814 -17.2808 -17.2787 -17.2476 -17.2466 -17.2443 -17.2435 -7.8644 -7.8643 -7.8130 -7.8130 -6.2563 -6.2547 -6.2017 -6.2000 -5.1386 -5.1382 -5.1317 -5.1316 -5.0329 -5.0313 -5.0230 -5.0211 -2.5429 -2.5418 -2.5332 -2.5317 -2.2162 -2.2150 -2.1986 -2.1964 -1.9580 -1.9576 -1.9571 -1.9568 -1.7547 -1.7532 -1.7527 -1.7508 -1.5085 -1.5059 -1.5029 -1.5008 -0.1636 -0.1605 -0.1567 -0.1535 0.0518 0.0529 0.0682 0.0687 0.3601 0.3639 0.4067 0.4100 8.8321 8.8326 8.8917 8.8922 9.5727 9.5729 9.6640 9.6644 10.8018 10.8033 10.8210 10.8225 k = 0.5000-0.0000 0.9399 ( 6832 PWs) bands (ev): -20.0809 -20.0809 -20.0808 -20.0808 -17.6481 -17.6481 -17.6476 -17.6476 -17.2823 -17.2823 -17.2798 -17.2798 -17.2471 -17.2471 -17.2439 -17.2439 -7.8392 -7.8392 -7.8392 -7.8392 -6.2285 -6.2285 -6.2268 -6.2268 -5.1340 -5.1340 -5.1337 -5.1337 -5.0292 -5.0292 -5.0274 -5.0274 -2.5381 -2.5381 -2.5368 -2.5368 -2.2063 -2.2063 -2.2046 -2.2046 -1.9573 -1.9573 -1.9568 -1.9568 -1.7555 -1.7555 -1.7538 -1.7538 -1.5059 -1.5059 -1.5035 -1.5035 -0.1599 -0.1599 -0.1567 -0.1567 0.0607 0.0607 0.0615 0.0615 0.3832 0.3832 0.3867 0.3867 8.8616 8.8616 8.8621 8.8621 9.6171 9.6171 9.6175 9.6175 10.8111 10.8111 10.8125 10.8125 Writing output data file AlPO4.save init_run : 4.58s CPU 14.66s WALL ( 1 calls) electrons : 1928.07s CPU 1955.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.56s CPU 1.78s WALL ( 1 calls) Called by electrons: c_bands : 1928.00s CPU 1954.65s WALL ( 1 calls) v_of_rho : 0.14s CPU 1.09s WALL ( 1 calls) v_h : 0.04s CPU 0.12s WALL ( 1 calls) v_xc : 0.10s CPU 0.68s WALL ( 1 calls) newd : 0.54s CPU 0.82s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.96s WALL ( 266 calls) cegterg : 1844.09s CPU 1861.50s WALL ( 896 calls) Called by sum_band: Called by *egterg: h_psi : 657.03s CPU 671.56s WALL ( 16349 calls) s_psi : 89.81s CPU 90.42s WALL ( 16349 calls) g_psi : 1.57s CPU 1.61s WALL ( 15187 calls) cdiaghg : 827.99s CPU 825.79s WALL ( 15453 calls) cegterg:over : 151.08s CPU 147.10s WALL ( 15187 calls) cegterg:upda : 52.01s CPU 55.71s WALL ( 15187 calls) cegterg:last : 31.59s CPU 32.19s WALL ( 1985 calls) Called by h_psi: h_psi:vloc : 472.07s CPU 483.12s WALL ( 16349 calls) h_psi:vnl : 184.08s CPU 186.24s WALL ( 16349 calls) add_vuspsi : 71.07s CPU 76.26s WALL ( 16349 calls) General routines calbec : 112.95s CPU 109.77s WALL ( 16349 calls) fft : 0.41s CPU 1.41s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 440.84s CPU 446.99s WALL ( 1907356 calls) interpolate : 0.11s CPU 0.13s WALL ( 4 calls) davcio : 0.03s CPU 1.59s WALL ( 532 calls) Parallel routines fft_scatter : 280.65s CPU 285.09s WALL ( 1907379 calls) PWSCF : 33m29.46s CPU 36m16.98s WALL This run was terminated on: 8:40:14 13Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=