Program PWSCF v.5.1.1 starts on 15Dec2015 at 16:41:17 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 2562 1122 172 Max 81 47 14 2566 1139 174 Sum 3863 2233 643 123045 54265 8313 bravais-lattice index = 14 lattice parameter (alat) = 15.6615 a.u. unit-cell volume = 1248.2289 (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)= 15.661482 celldm(2)= 0.610219 celldm(3)= 0.612052 celldm(4)= 0.493042 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 0.610219 0.000000 ) a(3) = ( 0.000000 0.301767 0.532488 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.638757 -0.928701 ) b(3) = ( 0.000000 0.000000 1.877975 ) 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 0.0260830), wk = 0.0037594 k( 3) = ( 0.0000000 0.0000000 0.0521660), wk = 0.0037594 k( 4) = ( 0.0000000 0.0000000 0.0782490), wk = 0.0037594 k( 5) = ( 0.0000000 0.0000000 0.1043320), wk = 0.0037594 k( 6) = ( 0.0000000 0.0000000 0.1304149), wk = 0.0037594 k( 7) = ( 0.0000000 0.0000000 0.1564979), wk = 0.0037594 k( 8) = ( 0.0000000 0.0000000 0.1825809), wk = 0.0037594 k( 9) = ( 0.0000000 0.0000000 0.2086639), wk = 0.0037594 k( 10) = ( 0.0000000 0.0000000 0.2347469), wk = 0.0037594 k( 11) = ( 0.0000000 0.0000000 0.2608299), wk = 0.0037594 k( 12) = ( 0.0000000 0.0000000 0.2869129), wk = 0.0037594 k( 13) = ( 0.0000000 0.0000000 0.3129959), wk = 0.0037594 k( 14) = ( 0.0000000 0.0000000 0.3390789), wk = 0.0037594 k( 15) = ( 0.0000000 0.0000000 0.3651619), wk = 0.0037594 k( 16) = ( 0.0000000 0.0000000 0.3912448), wk = 0.0037594 k( 17) = ( 0.0000000 0.0000000 0.4173278), wk = 0.0037594 k( 18) = ( 0.0000000 0.0000000 0.4434108), wk = 0.0037594 k( 19) = ( 0.0000000 0.0000000 0.4694938), wk = 0.0037594 k( 20) = ( 0.0000000 0.0000000 0.4955768), wk = 0.0037594 k( 21) = ( 0.0000000 0.0000000 0.5216598), wk = 0.0037594 k( 22) = ( 0.0000000 0.0000000 0.5477428), wk = 0.0037594 k( 23) = ( 0.0000000 0.0000000 0.5738258), wk = 0.0037594 k( 24) = ( 0.0000000 0.0000000 0.5999088), wk = 0.0037594 k( 25) = ( 0.0000000 0.0000000 0.6259918), wk = 0.0037594 k( 26) = ( 0.0000000 0.0000000 0.6520748), wk = 0.0037594 k( 27) = ( 0.0000000 0.0000000 0.6781577), wk = 0.0037594 k( 28) = ( 0.0000000 0.0000000 0.7042407), wk = 0.0037594 k( 29) = ( 0.0000000 0.0000000 0.7303237), wk = 0.0037594 k( 30) = ( 0.0000000 0.0000000 0.7564067), wk = 0.0037594 k( 31) = ( 0.0000000 0.0000000 0.7824897), wk = 0.0037594 k( 32) = ( 0.0000000 0.0000000 0.8085727), wk = 0.0037594 k( 33) = ( 0.0000000 0.0000000 0.8346557), wk = 0.0037594 k( 34) = ( 0.0000000 0.0000000 0.8607387), wk = 0.0037594 k( 35) = ( 0.0000000 0.0000000 0.8868217), wk = 0.0037594 k( 36) = ( 0.0000000 0.0000000 0.9129047), wk = 0.0037594 k( 37) = ( 0.0000000 0.0000000 0.9389877), wk = 0.0037594 k( 38) = ( 0.0000000 0.0000000 0.9389877), wk = 0.0037594 k( 39) = ( 0.0000000 0.0262094 0.9389876), wk = 0.0037594 k( 40) = ( 0.0000000 0.0524187 0.9389877), wk = 0.0037594 k( 41) = ( 0.0000000 0.0786280 0.9389876), wk = 0.0037594 k( 42) = ( 0.0000000 0.1048374 0.9389877), wk = 0.0037594 k( 43) = ( 0.0000000 0.1310467 0.9389876), wk = 0.0037594 k( 44) = ( 0.0000000 0.1572561 0.9389877), wk = 0.0037594 k( 45) = ( 0.0000000 0.1834654 0.9389876), wk = 0.0037594 k( 46) = ( 0.0000000 0.2096748 0.9389877), wk = 0.0037594 k( 47) = ( 0.0000000 0.2358841 0.9389876), wk = 0.0037594 k( 48) = ( 0.0000000 0.2620935 0.9389876), wk = 0.0037594 k( 49) = ( 0.0000000 0.2883028 0.9389876), wk = 0.0037594 k( 50) = ( 0.0000000 0.3145122 0.9389876), wk = 0.0037594 k( 51) = ( 0.0000000 0.3407215 0.9389876), wk = 0.0037594 k( 52) = ( 0.0000000 0.3669309 0.9389876), wk = 0.0037594 k( 53) = ( 0.0000000 0.3931402 0.9389876), wk = 0.0037594 k( 54) = ( 0.0000000 0.4193496 0.9389877), wk = 0.0037594 k( 55) = ( 0.0000000 0.4455589 0.9389876), wk = 0.0037594 k( 56) = ( 0.0000000 0.4717683 0.9389877), wk = 0.0037594 k( 57) = ( 0.0000000 0.4979776 0.9389876), wk = 0.0037594 k( 58) = ( 0.0000000 0.5241870 0.9389877), wk = 0.0037594 k( 59) = ( 0.0000000 0.5503963 0.9389876), wk = 0.0037594 k( 60) = ( 0.0000000 0.5503963 0.9389876), wk = 0.0037594 k( 61) = ( 0.0000000 0.5632050 0.9168757), wk = 0.0037594 k( 62) = ( 0.0000000 0.5760136 0.8947638), wk = 0.0037594 k( 63) = ( 0.0000000 0.5888223 0.8726519), wk = 0.0037594 k( 64) = ( 0.0000000 0.6016310 0.8505399), wk = 0.0037594 k( 65) = ( 0.0000000 0.6144396 0.8284280), wk = 0.0037594 k( 66) = ( 0.0000000 0.6272483 0.8063160), wk = 0.0037594 k( 67) = ( 0.0000000 0.6400570 0.7842041), wk = 0.0037594 k( 68) = ( 0.0000000 0.6528656 0.7620922), wk = 0.0037594 k( 69) = ( 0.0000000 0.6656743 0.7399803), wk = 0.0037594 k( 70) = ( 0.0000000 0.6784830 0.7178683), wk = 0.0037594 k( 71) = ( 0.0000000 0.6912916 0.6957564), wk = 0.0037594 k( 72) = ( 0.0000000 0.7041003 0.6736444), wk = 0.0037594 k( 73) = ( 0.0000000 0.7169090 0.6515325), wk = 0.0037594 k( 74) = ( 0.0000000 0.7297176 0.6294206), wk = 0.0037594 k( 75) = ( 0.0000000 0.7425263 0.6073087), wk = 0.0037594 k( 76) = ( 0.0000000 0.7553350 0.5851967), wk = 0.0037594 k( 77) = ( 0.0000000 0.7681436 0.5630848), wk = 0.0037594 k( 78) = ( 0.0000000 0.7809523 0.5409728), wk = 0.0037594 k( 79) = ( 0.0000000 0.7937609 0.5188609), wk = 0.0037594 k( 80) = ( 0.0000000 0.8065696 0.4967490), wk = 0.0037594 k( 81) = ( 0.0000000 0.8193783 0.4746371), wk = 0.0037594 k( 82) = ( 0.0000000 0.8193783 0.4746371), wk = 0.0037594 k( 83) = ( 0.0263158 0.8193783 0.4746371), wk = 0.0037594 k( 84) = ( 0.0526316 0.8193783 0.4746371), wk = 0.0037594 k( 85) = ( 0.0789474 0.8193783 0.4746371), wk = 0.0037594 k( 86) = ( 0.1052632 0.8193783 0.4746371), wk = 0.0037594 k( 87) = ( 0.1315790 0.8193783 0.4746371), wk = 0.0037594 k( 88) = ( 0.1578947 0.8193783 0.4746371), wk = 0.0037594 k( 89) = ( 0.1842105 0.8193783 0.4746371), wk = 0.0037594 k( 90) = ( 0.2105263 0.8193783 0.4746371), wk = 0.0037594 k( 91) = ( 0.2368421 0.8193783 0.4746371), wk = 0.0037594 k( 92) = ( 0.2631579 0.8193783 0.4746371), wk = 0.0037594 k( 93) = ( 0.2894737 0.8193783 0.4746371), wk = 0.0037594 k( 94) = ( 0.3157895 0.8193783 0.4746371), wk = 0.0037594 k( 95) = ( 0.3421053 0.8193783 0.4746371), wk = 0.0037594 k( 96) = ( 0.3684211 0.8193783 0.4746371), wk = 0.0037594 k( 97) = ( 0.3947368 0.8193783 0.4746371), wk = 0.0037594 k( 98) = ( 0.4210526 0.8193783 0.4746371), wk = 0.0037594 k( 99) = ( 0.4473684 0.8193783 0.4746371), wk = 0.0037594 k( 100) = ( 0.4736842 0.8193783 0.4746371), wk = 0.0037594 k( 101) = ( 0.5000000 0.8193783 0.4746371), wk = 0.0037594 k( 102) = ( 0.5000000 0.8193783 0.4746371), wk = 0.0037594 k( 103) = ( 0.5000000 0.8321870 0.4525251), wk = 0.0037594 k( 104) = ( 0.5000000 0.8449956 0.4304132), wk = 0.0037594 k( 105) = ( 0.5000000 0.8578043 0.4083013), wk = 0.0037594 k( 106) = ( 0.5000000 0.8706129 0.3861893), wk = 0.0037594 k( 107) = ( 0.5000000 0.8834216 0.3640774), wk = 0.0037594 k( 108) = ( 0.5000000 0.8962303 0.3419655), wk = 0.0037594 k( 109) = ( 0.5000000 0.9090390 0.3198535), wk = 0.0037594 k( 110) = ( 0.5000000 0.9218476 0.2977416), wk = 0.0037594 k( 111) = ( 0.5000000 0.9346563 0.2756297), wk = 0.0037594 k( 112) = ( 0.5000000 0.9474649 0.2535177), wk = 0.0037594 k( 113) = ( 0.5000000 0.9602736 0.2314058), wk = 0.0037594 k( 114) = ( 0.5000000 0.9730823 0.2092939), wk = 0.0037594 k( 115) = ( 0.5000000 0.9858909 0.1871819), wk = 0.0037594 k( 116) = ( 0.5000000 0.9986996 0.1650700), wk = 0.0037594 k( 117) = ( 0.5000000 1.0115083 0.1429581), wk = 0.0037594 k( 118) = ( 0.5000000 1.0243169 0.1208461), wk = 0.0037594 k( 119) = ( 0.5000000 1.0371256 0.0987342), wk = 0.0037594 k( 120) = ( 0.5000000 1.0499343 0.0766223), wk = 0.0037594 k( 121) = ( 0.5000000 1.0627429 0.0545103), wk = 0.0037594 k( 122) = ( 0.5000000 1.0755516 0.0323984), wk = 0.0037594 k( 123) = ( 0.5000000 1.0883603 0.0102865), wk = 0.0037594 k( 124) = ( 0.5000000 1.0883603 0.0102865), wk = 0.0037594 k( 125) = ( 0.5000000 1.0755516 -0.0123153), wk = 0.0037594 k( 126) = ( 0.5000000 1.0627429 -0.0349171), wk = 0.0037594 k( 127) = ( 0.5000000 1.0499343 -0.0575188), wk = 0.0037594 k( 128) = ( 0.5000000 1.0371256 -0.0801206), wk = 0.0037594 k( 129) = ( 0.5000000 1.0243169 -0.1027224), wk = 0.0037594 k( 130) = ( 0.5000000 1.0115083 -0.1253241), wk = 0.0037594 k( 131) = ( 0.5000000 0.9986996 -0.1479259), wk = 0.0037594 k( 132) = ( 0.5000000 0.9858909 -0.1705277), wk = 0.0037594 k( 133) = ( 0.5000000 0.9730823 -0.1931294), wk = 0.0037594 k( 134) = ( 0.5000000 0.9602736 -0.2157312), wk = 0.0037594 k( 135) = ( 0.5000000 0.9474649 -0.2383329), wk = 0.0037594 k( 136) = ( 0.5000000 0.9346563 -0.2609347), wk = 0.0037594 k( 137) = ( 0.5000000 0.9218476 -0.2835365), wk = 0.0037594 k( 138) = ( 0.5000000 0.9090390 -0.3061382), wk = 0.0037594 k( 139) = ( 0.5000000 0.8962303 -0.3287400), wk = 0.0037594 k( 140) = ( 0.5000000 0.8834216 -0.3513418), wk = 0.0037594 k( 141) = ( 0.5000000 0.8706129 -0.3739435), wk = 0.0037594 k( 142) = ( 0.5000000 0.8578043 -0.3965453), wk = 0.0037594 k( 143) = ( 0.5000000 0.8449956 -0.4191471), wk = 0.0037594 k( 144) = ( 0.5000000 0.8321870 -0.4417488), wk = 0.0037594 k( 145) = ( 0.5000000 0.8193783 -0.4643506), wk = 0.0037594 k( 146) = ( 0.5000000 0.8193783 -0.4643506), wk = 0.0037594 k( 147) = ( 0.4736842 0.8193783 -0.4643506), wk = 0.0037594 k( 148) = ( 0.4473684 0.8193783 -0.4643506), wk = 0.0037594 k( 149) = ( 0.4210526 0.8193783 -0.4643506), wk = 0.0037594 k( 150) = ( 0.3947368 0.8193783 -0.4643506), wk = 0.0037594 k( 151) = ( 0.3684211 0.8193783 -0.4643506), wk = 0.0037594 k( 152) = ( 0.3421053 0.8193783 -0.4643506), wk = 0.0037594 k( 153) = ( 0.3157895 0.8193783 -0.4643506), wk = 0.0037594 k( 154) = ( 0.2894737 0.8193783 -0.4643506), wk = 0.0037594 k( 155) = ( 0.2631579 0.8193783 -0.4643506), wk = 0.0037594 k( 156) = ( 0.2368421 0.8193783 -0.4643506), wk = 0.0037594 k( 157) = ( 0.2105263 0.8193783 -0.4643506), wk = 0.0037594 k( 158) = ( 0.1842105 0.8193783 -0.4643506), wk = 0.0037594 k( 159) = ( 0.1578947 0.8193783 -0.4643506), wk = 0.0037594 k( 160) = ( 0.1315790 0.8193783 -0.4643506), wk = 0.0037594 k( 161) = ( 0.1052632 0.8193783 -0.4643506), wk = 0.0037594 k( 162) = ( 0.0789474 0.8193783 -0.4643506), wk = 0.0037594 k( 163) = ( 0.0526316 0.8193783 -0.4643506), wk = 0.0037594 k( 164) = ( 0.0263158 0.8193783 -0.4643506), wk = 0.0037594 k( 165) = ( 0.0000000 0.8193783 -0.4643506), wk = 0.0037594 k( 166) = ( 0.0000000 0.8193783 -0.4643506), wk = 0.0037594 k( 167) = ( 0.0000000 0.8321870 -0.4417488), wk = 0.0037594 k( 168) = ( 0.0000000 0.8449956 -0.4191471), wk = 0.0037594 k( 169) = ( 0.0000000 0.8578043 -0.3965453), wk = 0.0037594 k( 170) = ( 0.0000000 0.8706129 -0.3739435), wk = 0.0037594 k( 171) = ( 0.0000000 0.8834216 -0.3513418), wk = 0.0037594 k( 172) = ( 0.0000000 0.8962303 -0.3287400), wk = 0.0037594 k( 173) = ( 0.0000000 0.9090390 -0.3061382), wk = 0.0037594 k( 174) = ( 0.0000000 0.9218476 -0.2835365), wk = 0.0037594 k( 175) = ( 0.0000000 0.9346563 -0.2609347), wk = 0.0037594 k( 176) = ( 0.0000000 0.9474649 -0.2383329), wk = 0.0037594 k( 177) = ( 0.0000000 0.9602736 -0.2157312), wk = 0.0037594 k( 178) = ( 0.0000000 0.9730823 -0.1931294), wk = 0.0037594 k( 179) = ( 0.0000000 0.9858909 -0.1705277), wk = 0.0037594 k( 180) = ( 0.0000000 0.9986996 -0.1479259), wk = 0.0037594 k( 181) = ( 0.0000000 1.0115083 -0.1253241), wk = 0.0037594 k( 182) = ( 0.0000000 1.0243169 -0.1027224), wk = 0.0037594 k( 183) = ( 0.0000000 1.0371256 -0.0801206), wk = 0.0037594 k( 184) = ( 0.0000000 1.0499343 -0.0575188), wk = 0.0037594 k( 185) = ( 0.0000000 1.0627429 -0.0349171), wk = 0.0037594 k( 186) = ( 0.0000000 1.0755516 -0.0123153), wk = 0.0037594 k( 187) = ( 0.0000000 1.0883603 0.0102865), wk = 0.0037594 k( 188) = ( 0.5000000 0.5503963 0.9389876), wk = 0.0037594 k( 189) = ( 0.5000000 0.5241870 0.9389877), wk = 0.0037594 k( 190) = ( 0.5000000 0.4979776 0.9389876), wk = 0.0037594 k( 191) = ( 0.5000000 0.4717683 0.9389877), wk = 0.0037594 k( 192) = ( 0.5000000 0.4455589 0.9389876), wk = 0.0037594 k( 193) = ( 0.5000000 0.4193496 0.9389877), wk = 0.0037594 k( 194) = ( 0.5000000 0.3931402 0.9389876), wk = 0.0037594 k( 195) = ( 0.5000000 0.3669309 0.9389876), wk = 0.0037594 k( 196) = ( 0.5000000 0.3407215 0.9389876), wk = 0.0037594 k( 197) = ( 0.5000000 0.3145122 0.9389876), wk = 0.0037594 k( 198) = ( 0.5000000 0.2883028 0.9389876), wk = 0.0037594 k( 199) = ( 0.5000000 0.2620935 0.9389876), wk = 0.0037594 k( 200) = ( 0.5000000 0.2358841 0.9389876), wk = 0.0037594 k( 201) = ( 0.5000000 0.2096748 0.9389877), wk = 0.0037594 k( 202) = ( 0.5000000 0.1834654 0.9389876), wk = 0.0037594 k( 203) = ( 0.5000000 0.1572561 0.9389877), wk = 0.0037594 k( 204) = ( 0.5000000 0.1310467 0.9389876), wk = 0.0037594 k( 205) = ( 0.5000000 0.1048374 0.9389877), wk = 0.0037594 k( 206) = ( 0.5000000 0.0786280 0.9389876), wk = 0.0037594 k( 207) = ( 0.5000000 0.0524187 0.9389877), wk = 0.0037594 k( 208) = ( 0.5000000 0.0262094 0.9389876), wk = 0.0037594 k( 209) = ( 0.5000000 -0.0000000 0.9389877), wk = 0.0037594 k( 210) = ( 0.5000000 -0.0000000 0.9389877), wk = 0.0037594 k( 211) = ( 0.5000000 -0.0000000 0.9129047), wk = 0.0037594 k( 212) = ( 0.5000000 -0.0000000 0.8868217), wk = 0.0037594 k( 213) = ( 0.5000000 -0.0000000 0.8607387), wk = 0.0037594 k( 214) = ( 0.5000000 -0.0000000 0.8346557), wk = 0.0037594 k( 215) = ( 0.5000000 -0.0000000 0.8085727), wk = 0.0037594 k( 216) = ( 0.5000000 -0.0000000 0.7824897), wk = 0.0037594 k( 217) = ( 0.5000000 -0.0000000 0.7564067), wk = 0.0037594 k( 218) = ( 0.5000000 -0.0000000 0.7303237), wk = 0.0037594 k( 219) = ( 0.5000000 -0.0000000 0.7042407), wk = 0.0037594 k( 220) = ( 0.5000000 -0.0000000 0.6781577), wk = 0.0037594 k( 221) = ( 0.5000000 -0.0000000 0.6520748), wk = 0.0037594 k( 222) = ( 0.5000000 -0.0000000 0.6259918), wk = 0.0037594 k( 223) = ( 0.5000000 -0.0000000 0.5999088), wk = 0.0037594 k( 224) = ( 0.5000000 -0.0000000 0.5738258), wk = 0.0037594 k( 225) = ( 0.5000000 -0.0000000 0.5477428), wk = 0.0037594 k( 226) = ( 0.5000000 -0.0000000 0.5216598), wk = 0.0037594 k( 227) = ( 0.5000000 -0.0000000 0.4955768), wk = 0.0037594 k( 228) = ( 0.5000000 -0.0000000 0.4694938), wk = 0.0037594 k( 229) = ( 0.5000000 -0.0000000 0.4434108), wk = 0.0037594 k( 230) = ( 0.5000000 -0.0000000 0.4173278), wk = 0.0037594 k( 231) = ( 0.5000000 -0.0000000 0.3912448), wk = 0.0037594 k( 232) = ( 0.5000000 -0.0000000 0.3651619), wk = 0.0037594 k( 233) = ( 0.5000000 -0.0000000 0.3390789), wk = 0.0037594 k( 234) = ( 0.5000000 -0.0000000 0.3129959), wk = 0.0037594 k( 235) = ( 0.5000000 -0.0000000 0.2869129), wk = 0.0037594 k( 236) = ( 0.5000000 -0.0000000 0.2608299), wk = 0.0037594 k( 237) = ( 0.5000000 -0.0000000 0.2347469), wk = 0.0037594 k( 238) = ( 0.5000000 -0.0000000 0.2086639), wk = 0.0037594 k( 239) = ( 0.5000000 -0.0000000 0.1825809), wk = 0.0037594 k( 240) = ( 0.5000000 -0.0000000 0.1564979), wk = 0.0037594 k( 241) = ( 0.5000000 -0.0000000 0.1304149), wk = 0.0037594 k( 242) = ( 0.5000000 -0.0000000 0.1043320), wk = 0.0037594 k( 243) = ( 0.5000000 -0.0000000 0.0782490), wk = 0.0037594 k( 244) = ( 0.5000000 -0.0000000 0.0521660), wk = 0.0037594 k( 245) = ( 0.5000000 -0.0000000 0.0260830), wk = 0.0037594 k( 246) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037594 k( 247) = ( 0.0000000 0.0000000 0.9389877), wk = 0.0037594 k( 248) = ( 0.0263158 -0.0000000 0.9389877), wk = 0.0037594 k( 249) = ( 0.0526316 -0.0000000 0.9389877), wk = 0.0037594 k( 250) = ( 0.0789474 -0.0000000 0.9389877), wk = 0.0037594 k( 251) = ( 0.1052632 -0.0000000 0.9389877), wk = 0.0037594 k( 252) = ( 0.1315790 -0.0000000 0.9389877), wk = 0.0037594 k( 253) = ( 0.1578947 -0.0000000 0.9389877), wk = 0.0037594 k( 254) = ( 0.1842105 -0.0000000 0.9389877), wk = 0.0037594 k( 255) = ( 0.2105263 -0.0000000 0.9389877), wk = 0.0037594 k( 256) = ( 0.2368421 -0.0000000 0.9389877), wk = 0.0037594 k( 257) = ( 0.2631579 -0.0000000 0.9389877), wk = 0.0037594 k( 258) = ( 0.2894737 -0.0000000 0.9389877), wk = 0.0037594 k( 259) = ( 0.3157895 -0.0000000 0.9389877), wk = 0.0037594 k( 260) = ( 0.3421053 -0.0000000 0.9389877), wk = 0.0037594 k( 261) = ( 0.3684211 -0.0000000 0.9389877), wk = 0.0037594 k( 262) = ( 0.3947368 -0.0000000 0.9389877), wk = 0.0037594 k( 263) = ( 0.4210526 -0.0000000 0.9389877), wk = 0.0037594 k( 264) = ( 0.4473684 -0.0000000 0.9389877), wk = 0.0037594 k( 265) = ( 0.4736842 -0.0000000 0.9389877), wk = 0.0037594 k( 266) = ( 0.5000000 -0.0000000 0.9389877), 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 0.0159934 0.5079091), wk = 0.0037594 k( 40) = ( 0.0000000 0.0319869 0.5158182), wk = 0.0037594 k( 41) = ( 0.0000000 0.0479803 0.5237273), wk = 0.0037594 k( 42) = ( 0.0000000 0.0639737 0.5316365), wk = 0.0037594 k( 43) = ( 0.0000000 0.0799672 0.5395456), wk = 0.0037594 k( 44) = ( 0.0000000 0.0959606 0.5474547), wk = 0.0037594 k( 45) = ( 0.0000000 0.1119540 0.5553638), wk = 0.0037594 k( 46) = ( 0.0000000 0.1279475 0.5632729), wk = 0.0037594 k( 47) = ( 0.0000000 0.1439409 0.5711820), wk = 0.0037594 k( 48) = ( 0.0000000 0.1599344 0.5790911), wk = 0.0037594 k( 49) = ( 0.0000000 0.1759278 0.5870003), wk = 0.0037594 k( 50) = ( 0.0000000 0.1919212 0.5949094), wk = 0.0037594 k( 51) = ( 0.0000000 0.2079147 0.6028185), wk = 0.0037594 k( 52) = ( 0.0000000 0.2239081 0.6107276), wk = 0.0037594 k( 53) = ( 0.0000000 0.2399015 0.6186367), wk = 0.0037594 k( 54) = ( 0.0000000 0.2558950 0.6265458), wk = 0.0037594 k( 55) = ( 0.0000000 0.2718884 0.6344549), wk = 0.0037594 k( 56) = ( 0.0000000 0.2878818 0.6423641), wk = 0.0037594 k( 57) = ( 0.0000000 0.3038753 0.6502732), wk = 0.0037594 k( 58) = ( 0.0000000 0.3198687 0.6581823), wk = 0.0037594 k( 59) = ( 0.0000000 0.3358622 0.6660914), wk = 0.0037594 k( 60) = ( 0.0000000 0.3358622 0.6660914), wk = 0.0037594 k( 61) = ( 0.0000000 0.3436782 0.6581823), wk = 0.0037594 k( 62) = ( 0.0000000 0.3514943 0.6502732), wk = 0.0037594 k( 63) = ( 0.0000000 0.3593104 0.6423641), wk = 0.0037594 k( 64) = ( 0.0000000 0.3671265 0.6344550), wk = 0.0037594 k( 65) = ( 0.0000000 0.3749426 0.6265458), wk = 0.0037594 k( 66) = ( 0.0000000 0.3827587 0.6186367), wk = 0.0037594 k( 67) = ( 0.0000000 0.3905748 0.6107276), wk = 0.0037594 k( 68) = ( 0.0000000 0.3983909 0.6028185), wk = 0.0037594 k( 69) = ( 0.0000000 0.4062069 0.5949094), wk = 0.0037594 k( 70) = ( 0.0000000 0.4140230 0.5870003), wk = 0.0037594 k( 71) = ( 0.0000000 0.4218391 0.5790911), wk = 0.0037594 k( 72) = ( 0.0000000 0.4296552 0.5711820), wk = 0.0037594 k( 73) = ( 0.0000000 0.4374713 0.5632729), wk = 0.0037594 k( 74) = ( 0.0000000 0.4452874 0.5553638), wk = 0.0037594 k( 75) = ( 0.0000000 0.4531035 0.5474547), wk = 0.0037594 k( 76) = ( 0.0000000 0.4609196 0.5395456), wk = 0.0037594 k( 77) = ( 0.0000000 0.4687357 0.5316365), wk = 0.0037594 k( 78) = ( 0.0000000 0.4765517 0.5237273), wk = 0.0037594 k( 79) = ( 0.0000000 0.4843678 0.5158182), wk = 0.0037594 k( 80) = ( 0.0000000 0.4921839 0.5079091), 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 0.5078161 0.4920909), wk = 0.0037594 k( 104) = ( 0.5000000 0.5156322 0.4841818), wk = 0.0037594 k( 105) = ( 0.5000000 0.5234483 0.4762727), wk = 0.0037594 k( 106) = ( 0.5000000 0.5312644 0.4683635), wk = 0.0037594 k( 107) = ( 0.5000000 0.5390804 0.4604544), wk = 0.0037594 k( 108) = ( 0.5000000 0.5468965 0.4525453), wk = 0.0037594 k( 109) = ( 0.5000000 0.5547126 0.4446362), wk = 0.0037594 k( 110) = ( 0.5000000 0.5625287 0.4367271), wk = 0.0037594 k( 111) = ( 0.5000000 0.5703448 0.4288180), wk = 0.0037594 k( 112) = ( 0.5000000 0.5781609 0.4209089), wk = 0.0037594 k( 113) = ( 0.5000000 0.5859770 0.4129997), wk = 0.0037594 k( 114) = ( 0.5000000 0.5937931 0.4050906), wk = 0.0037594 k( 115) = ( 0.5000000 0.6016092 0.3971815), wk = 0.0037594 k( 116) = ( 0.5000000 0.6094252 0.3892724), wk = 0.0037594 k( 117) = ( 0.5000000 0.6172413 0.3813633), wk = 0.0037594 k( 118) = ( 0.5000000 0.6250574 0.3734542), wk = 0.0037594 k( 119) = ( 0.5000000 0.6328735 0.3655451), wk = 0.0037594 k( 120) = ( 0.5000000 0.6406896 0.3576359), wk = 0.0037594 k( 121) = ( 0.5000000 0.6485057 0.3497268), wk = 0.0037594 k( 122) = ( 0.5000000 0.6563218 0.3418177), wk = 0.0037594 k( 123) = ( 0.5000000 0.6641379 0.3339086), wk = 0.0037594 k( 124) = ( 0.5000000 0.6641379 0.3339086), wk = 0.0037594 k( 125) = ( 0.5000000 0.6563218 0.3180082), wk = 0.0037594 k( 126) = ( 0.5000000 0.6485057 0.3021078), wk = 0.0037594 k( 127) = ( 0.5000000 0.6406896 0.2862074), wk = 0.0037594 k( 128) = ( 0.5000000 0.6328735 0.2703069), wk = 0.0037594 k( 129) = ( 0.5000000 0.6250574 0.2544065), wk = 0.0037594 k( 130) = ( 0.5000000 0.6172413 0.2385061), wk = 0.0037594 k( 131) = ( 0.5000000 0.6094252 0.2226057), wk = 0.0037594 k( 132) = ( 0.5000000 0.6016092 0.2067053), wk = 0.0037594 k( 133) = ( 0.5000000 0.5937931 0.1908049), wk = 0.0037594 k( 134) = ( 0.5000000 0.5859770 0.1749045), wk = 0.0037594 k( 135) = ( 0.5000000 0.5781609 0.1590041), wk = 0.0037594 k( 136) = ( 0.5000000 0.5703448 0.1431037), wk = 0.0037594 k( 137) = ( 0.5000000 0.5625287 0.1272033), wk = 0.0037594 k( 138) = ( 0.5000000 0.5547126 0.1113029), wk = 0.0037594 k( 139) = ( 0.5000000 0.5468965 0.0954025), wk = 0.0037594 k( 140) = ( 0.5000000 0.5390804 0.0795020), wk = 0.0037594 k( 141) = ( 0.5000000 0.5312644 0.0636016), wk = 0.0037594 k( 142) = ( 0.5000000 0.5234483 0.0477012), wk = 0.0037594 k( 143) = ( 0.5000000 0.5156322 0.0318008), wk = 0.0037594 k( 144) = ( 0.5000000 0.5078161 0.0159004), 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 0.5078161 0.0159004), wk = 0.0037594 k( 168) = ( 0.0000000 0.5156322 0.0318008), wk = 0.0037594 k( 169) = ( 0.0000000 0.5234483 0.0477012), wk = 0.0037594 k( 170) = ( 0.0000000 0.5312644 0.0636016), wk = 0.0037594 k( 171) = ( 0.0000000 0.5390804 0.0795020), wk = 0.0037594 k( 172) = ( 0.0000000 0.5468965 0.0954025), wk = 0.0037594 k( 173) = ( 0.0000000 0.5547126 0.1113029), wk = 0.0037594 k( 174) = ( 0.0000000 0.5625287 0.1272033), wk = 0.0037594 k( 175) = ( 0.0000000 0.5703448 0.1431037), wk = 0.0037594 k( 176) = ( 0.0000000 0.5781609 0.1590041), wk = 0.0037594 k( 177) = ( 0.0000000 0.5859770 0.1749045), wk = 0.0037594 k( 178) = ( 0.0000000 0.5937931 0.1908049), wk = 0.0037594 k( 179) = ( 0.0000000 0.6016092 0.2067053), wk = 0.0037594 k( 180) = ( 0.0000000 0.6094252 0.2226057), wk = 0.0037594 k( 181) = ( 0.0000000 0.6172413 0.2385061), wk = 0.0037594 k( 182) = ( 0.0000000 0.6250574 0.2544065), wk = 0.0037594 k( 183) = ( 0.0000000 0.6328735 0.2703069), wk = 0.0037594 k( 184) = ( 0.0000000 0.6406896 0.2862074), wk = 0.0037594 k( 185) = ( 0.0000000 0.6485057 0.3021078), wk = 0.0037594 k( 186) = ( 0.0000000 0.6563218 0.3180082), wk = 0.0037594 k( 187) = ( 0.0000000 0.6641379 0.3339086), wk = 0.0037594 k( 188) = ( 0.5000000 0.3358622 0.6660914), wk = 0.0037594 k( 189) = ( 0.5000000 0.3198687 0.6581823), wk = 0.0037594 k( 190) = ( 0.5000000 0.3038753 0.6502732), wk = 0.0037594 k( 191) = ( 0.5000000 0.2878818 0.6423641), wk = 0.0037594 k( 192) = ( 0.5000000 0.2718884 0.6344549), wk = 0.0037594 k( 193) = ( 0.5000000 0.2558950 0.6265458), wk = 0.0037594 k( 194) = ( 0.5000000 0.2399015 0.6186367), wk = 0.0037594 k( 195) = ( 0.5000000 0.2239081 0.6107276), wk = 0.0037594 k( 196) = ( 0.5000000 0.2079147 0.6028185), wk = 0.0037594 k( 197) = ( 0.5000000 0.1919212 0.5949094), wk = 0.0037594 k( 198) = ( 0.5000000 0.1759278 0.5870003), wk = 0.0037594 k( 199) = ( 0.5000000 0.1599344 0.5790911), wk = 0.0037594 k( 200) = ( 0.5000000 0.1439409 0.5711820), wk = 0.0037594 k( 201) = ( 0.5000000 0.1279475 0.5632729), wk = 0.0037594 k( 202) = ( 0.5000000 0.1119540 0.5553638), wk = 0.0037594 k( 203) = ( 0.5000000 0.0959606 0.5474547), wk = 0.0037594 k( 204) = ( 0.5000000 0.0799672 0.5395456), wk = 0.0037594 k( 205) = ( 0.5000000 0.0639737 0.5316365), wk = 0.0037594 k( 206) = ( 0.5000000 0.0479803 0.5237273), wk = 0.0037594 k( 207) = ( 0.5000000 0.0319869 0.5158182), wk = 0.0037594 k( 208) = ( 0.5000000 0.0159934 0.5079091), 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: 123045 G-vectors FFT dimensions: ( 90, 60, 60) Smooth grid: 54265 G-vectors FFT dimensions: ( 72, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 300, 76) NL pseudopotentials 0.57 Mb ( 150, 248) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.02 Mb ( 2566) G-vector shells 0.02 Mb ( 2516) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.39 Mb ( 300, 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 49.1 secs Computing kpt #: 2 total cpu time spent up to now is 56.1 secs Computing kpt #: 3 total cpu time spent up to now is 63.6 secs Computing kpt #: 4 total cpu time spent up to now is 71.0 secs Computing kpt #: 5 total cpu time spent up to now is 78.5 secs Computing kpt #: 6 total cpu time spent up to now is 85.7 secs Computing kpt #: 7 total cpu time spent up to now is 92.7 secs Computing kpt #: 8 total cpu time spent up to now is 100.3 secs Computing kpt #: 9 total cpu time spent up to now is 107.6 secs Computing kpt #: 10 total cpu time spent up to now is 114.4 secs Computing kpt #: 11 total cpu time spent up to now is 121.4 secs Computing kpt #: 12 total cpu time spent up to now is 129.7 secs Computing kpt #: 13 total cpu time spent up to now is 139.8 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.5 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.2 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 171.9 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 182.6 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.3 secs Computing kpt #: 19 total cpu time spent up to now is 203.3 secs Computing kpt #: 20 total cpu time spent up to now is 210.9 secs Computing kpt #: 21 total cpu time spent up to now is 217.6 secs Computing kpt #: 22 total cpu time spent up to now is 226.4 secs Computing kpt #: 23 total cpu time spent up to now is 233.5 secs Computing kpt #: 24 total cpu time spent up to now is 241.0 secs Computing kpt #: 25 total cpu time spent up to now is 248.1 secs Computing kpt #: 26 total cpu time spent up to now is 254.5 secs Computing kpt #: 27 total cpu time spent up to now is 261.1 secs Computing kpt #: 28 total cpu time spent up to now is 267.4 secs Computing kpt #: 29 total cpu time spent up to now is 273.9 secs Computing kpt #: 30 total cpu time spent up to now is 280.5 secs Computing kpt #: 31 total cpu time spent up to now is 286.7 secs Computing kpt #: 32 total cpu time spent up to now is 293.2 secs Computing kpt #: 33 total cpu time spent up to now is 299.2 secs Computing kpt #: 34 total cpu time spent up to now is 305.5 secs Computing kpt #: 35 total cpu time spent up to now is 311.5 secs Computing kpt #: 36 total cpu time spent up to now is 317.8 secs Computing kpt #: 37 total cpu time spent up to now is 323.9 secs Computing kpt #: 38 total cpu time spent up to now is 329.8 secs Computing kpt #: 39 total cpu time spent up to now is 335.9 secs Computing kpt #: 40 total cpu time spent up to now is 341.8 secs Computing kpt #: 41 total cpu time spent up to now is 348.0 secs Computing kpt #: 42 total cpu time spent up to now is 354.3 secs Computing kpt #: 43 total cpu time spent up to now is 360.4 secs Computing kpt #: 44 total cpu time spent up to now is 367.1 secs Computing kpt #: 45 total cpu time spent up to now is 373.5 secs Computing kpt #: 46 total cpu time spent up to now is 380.0 secs Computing kpt #: 47 total cpu time spent up to now is 386.8 secs Computing kpt #: 48 total cpu time spent up to now is 393.7 secs Computing kpt #: 49 total cpu time spent up to now is 401.0 secs Computing kpt #: 50 total cpu time spent up to now is 408.1 secs Computing kpt #: 51 total cpu time spent up to now is 415.5 secs Computing kpt #: 52 total cpu time spent up to now is 423.4 secs Computing kpt #: 53 total cpu time spent up to now is 430.5 secs Computing kpt #: 54 total cpu time spent up to now is 438.1 secs Computing kpt #: 55 total cpu time spent up to now is 446.1 secs Computing kpt #: 56 total cpu time spent up to now is 453.5 secs Computing kpt #: 57 total cpu time spent up to now is 461.1 secs Computing kpt #: 58 total cpu time spent up to now is 468.9 secs Computing kpt #: 59 total cpu time spent up to now is 476.4 secs Computing kpt #: 60 total cpu time spent up to now is 484.1 secs Computing kpt #: 61 total cpu time spent up to now is 493.4 secs Computing kpt #: 62 total cpu time spent up to now is 503.2 secs Computing kpt #: 63 total cpu time spent up to now is 512.1 secs Computing kpt #: 64 total cpu time spent up to now is 522.6 secs Computing kpt #: 65 total cpu time spent up to now is 534.0 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 544.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 556.0 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 567.1 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.6 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.7 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.0 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 612.8 secs Computing kpt #: 73 total cpu time spent up to now is 623.2 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 634.2 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 644.9 secs Computing kpt #: 76 total cpu time spent up to now is 655.7 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 666.5 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 677.5 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 688.5 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 699.8 secs Computing kpt #: 81 total cpu time spent up to now is 709.1 secs Computing kpt #: 82 total cpu time spent up to now is 719.5 secs Computing kpt #: 83 total cpu time spent up to now is 729.7 secs Computing kpt #: 84 total cpu time spent up to now is 739.4 secs Computing kpt #: 85 total cpu time spent up to now is 749.7 secs Computing kpt #: 86 total cpu time spent up to now is 758.6 secs Computing kpt #: 87 total cpu time spent up to now is 767.0 secs Computing kpt #: 88 total cpu time spent up to now is 775.0 secs Computing kpt #: 89 total cpu time spent up to now is 783.9 secs Computing kpt #: 90 total cpu time spent up to now is 791.3 secs Computing kpt #: 91 total cpu time spent up to now is 799.0 secs Computing kpt #: 92 total cpu time spent up to now is 806.1 secs Computing kpt #: 93 total cpu time spent up to now is 812.8 secs Computing kpt #: 94 total cpu time spent up to now is 819.8 secs Computing kpt #: 95 total cpu time spent up to now is 828.5 secs Computing kpt #: 96 total cpu time spent up to now is 835.3 secs Computing kpt #: 97 total cpu time spent up to now is 842.1 secs Computing kpt #: 98 total cpu time spent up to now is 848.6 secs Computing kpt #: 99 total cpu time spent up to now is 855.1 secs Computing kpt #: 100 total cpu time spent up to now is 861.7 secs Computing kpt #: 101 total cpu time spent up to now is 868.1 secs Computing kpt #: 102 total cpu time spent up to now is 874.9 secs Computing kpt #: 103 total cpu time spent up to now is 881.3 secs Computing kpt #: 104 total cpu time spent up to now is 887.8 secs Computing kpt #: 105 total cpu time spent up to now is 894.3 secs Computing kpt #: 106 total cpu time spent up to now is 900.8 secs Computing kpt #: 107 total cpu time spent up to now is 907.3 secs Computing kpt #: 108 total cpu time spent up to now is 914.0 secs Computing kpt #: 109 total cpu time spent up to now is 920.6 secs Computing kpt #: 110 total cpu time spent up to now is 927.1 secs Computing kpt #: 111 total cpu time spent up to now is 933.9 secs Computing kpt #: 112 total cpu time spent up to now is 940.4 secs Computing kpt #: 113 total cpu time spent up to now is 946.6 secs Computing kpt #: 114 total cpu time spent up to now is 952.8 secs Computing kpt #: 115 total cpu time spent up to now is 958.9 secs Computing kpt #: 116 total cpu time spent up to now is 965.1 secs Computing kpt #: 117 total cpu time spent up to now is 971.4 secs Computing kpt #: 118 total cpu time spent up to now is 977.4 secs Computing kpt #: 119 total cpu time spent up to now is 983.0 secs Computing kpt #: 120 total cpu time spent up to now is 988.9 secs Computing kpt #: 121 total cpu time spent up to now is 994.5 secs Computing kpt #: 122 total cpu time spent up to now is 1000.1 secs Computing kpt #: 123 total cpu time spent up to now is 1006.8 secs Computing kpt #: 124 total cpu time spent up to now is 1012.3 secs Computing kpt #: 125 total cpu time spent up to now is 1017.9 secs Computing kpt #: 126 total cpu time spent up to now is 1023.6 secs Computing kpt #: 127 total cpu time spent up to now is 1029.5 secs Computing kpt #: 128 total cpu time spent up to now is 1035.6 secs Computing kpt #: 129 total cpu time spent up to now is 1041.8 secs Computing kpt #: 130 total cpu time spent up to now is 1048.7 secs Computing kpt #: 131 total cpu time spent up to now is 1055.2 secs Computing kpt #: 132 total cpu time spent up to now is 1061.7 secs Computing kpt #: 133 total cpu time spent up to now is 1068.8 secs Computing kpt #: 134 total cpu time spent up to now is 1075.1 secs Computing kpt #: 135 total cpu time spent up to now is 1081.4 secs Computing kpt #: 136 total cpu time spent up to now is 1087.9 secs Computing kpt #: 137 total cpu time spent up to now is 1094.3 secs Computing kpt #: 138 total cpu time spent up to now is 1100.7 secs Computing kpt #: 139 total cpu time spent up to now is 1107.2 secs Computing kpt #: 140 total cpu time spent up to now is 1114.1 secs Computing kpt #: 141 total cpu time spent up to now is 1120.8 secs Computing kpt #: 142 total cpu time spent up to now is 1129.3 secs Computing kpt #: 143 total cpu time spent up to now is 1135.7 secs Computing kpt #: 144 total cpu time spent up to now is 1142.4 secs Computing kpt #: 145 total cpu time spent up to now is 1149.0 secs Computing kpt #: 146 total cpu time spent up to now is 1156.0 secs Computing kpt #: 147 total cpu time spent up to now is 1162.9 secs Computing kpt #: 148 total cpu time spent up to now is 1169.4 secs Computing kpt #: 149 total cpu time spent up to now is 1176.2 secs Computing kpt #: 150 total cpu time spent up to now is 1182.6 secs Computing kpt #: 151 total cpu time spent up to now is 1189.2 secs Computing kpt #: 152 total cpu time spent up to now is 1195.8 secs Computing kpt #: 153 total cpu time spent up to now is 1202.7 secs Computing kpt #: 154 total cpu time spent up to now is 1209.3 secs Computing kpt #: 155 total cpu time spent up to now is 1216.4 secs Computing kpt #: 156 total cpu time spent up to now is 1223.2 secs Computing kpt #: 157 total cpu time spent up to now is 1230.0 secs Computing kpt #: 158 total cpu time spent up to now is 1237.4 secs Computing kpt #: 159 total cpu time spent up to now is 1244.3 secs Computing kpt #: 160 total cpu time spent up to now is 1251.0 secs Computing kpt #: 161 total cpu time spent up to now is 1257.6 secs Computing kpt #: 162 total cpu time spent up to now is 1264.3 secs Computing kpt #: 163 total cpu time spent up to now is 1271.0 secs Computing kpt #: 164 total cpu time spent up to now is 1277.7 secs Computing kpt #: 165 total cpu time spent up to now is 1284.3 secs Computing kpt #: 166 total cpu time spent up to now is 1291.0 secs Computing kpt #: 167 total cpu time spent up to now is 1298.2 secs Computing kpt #: 168 total cpu time spent up to now is 1305.4 secs Computing kpt #: 169 total cpu time spent up to now is 1312.6 secs Computing kpt #: 170 total cpu time spent up to now is 1319.2 secs Computing kpt #: 171 total cpu time spent up to now is 1325.8 secs Computing kpt #: 172 total cpu time spent up to now is 1333.3 secs Computing kpt #: 173 total cpu time spent up to now is 1339.9 secs Computing kpt #: 174 total cpu time spent up to now is 1347.0 secs Computing kpt #: 175 total cpu time spent up to now is 1354.2 secs Computing kpt #: 176 total cpu time spent up to now is 1362.1 secs Computing kpt #: 177 total cpu time spent up to now is 1370.1 secs Computing kpt #: 178 total cpu time spent up to now is 1378.1 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1389.6 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1401.2 secs Computing kpt #: 181 total cpu time spent up to now is 1411.9 secs Computing kpt #: 182 total cpu time spent up to now is 1421.4 secs Computing kpt #: 183 total cpu time spent up to now is 1431.8 secs Computing kpt #: 184 total cpu time spent up to now is 1440.5 secs Computing kpt #: 185 total cpu time spent up to now is 1447.9 secs Computing kpt #: 186 total cpu time spent up to now is 1455.9 secs Computing kpt #: 187 total cpu time spent up to now is 1463.3 secs Computing kpt #: 188 total cpu time spent up to now is 1469.4 secs Computing kpt #: 189 total cpu time spent up to now is 1474.5 secs Computing kpt #: 190 total cpu time spent up to now is 1480.2 secs Computing kpt #: 191 total cpu time spent up to now is 1485.7 secs Computing kpt #: 192 total cpu time spent up to now is 1491.6 secs Computing kpt #: 193 total cpu time spent up to now is 1497.9 secs Computing kpt #: 194 total cpu time spent up to now is 1503.7 secs Computing kpt #: 195 total cpu time spent up to now is 1509.8 secs Computing kpt #: 196 total cpu time spent up to now is 1516.6 secs Computing kpt #: 197 total cpu time spent up to now is 1524.1 secs Computing kpt #: 198 total cpu time spent up to now is 1530.4 secs Computing kpt #: 199 total cpu time spent up to now is 1537.4 secs Computing kpt #: 200 total cpu time spent up to now is 1543.7 secs Computing kpt #: 201 total cpu time spent up to now is 1550.8 secs Computing kpt #: 202 total cpu time spent up to now is 1557.5 secs Computing kpt #: 203 total cpu time spent up to now is 1564.4 secs Computing kpt #: 204 total cpu time spent up to now is 1571.2 secs Computing kpt #: 205 total cpu time spent up to now is 1577.8 secs Computing kpt #: 206 total cpu time spent up to now is 1584.8 secs Computing kpt #: 207 total cpu time spent up to now is 1591.3 secs Computing kpt #: 208 total cpu time spent up to now is 1597.7 secs Computing kpt #: 209 total cpu time spent up to now is 1604.0 secs Computing kpt #: 210 total cpu time spent up to now is 1610.7 secs Computing kpt #: 211 total cpu time spent up to now is 1617.7 secs Computing kpt #: 212 total cpu time spent up to now is 1624.3 secs Computing kpt #: 213 total cpu time spent up to now is 1631.5 secs Computing kpt #: 214 total cpu time spent up to now is 1637.8 secs Computing kpt #: 215 total cpu time spent up to now is 1644.2 secs Computing kpt #: 216 total cpu time spent up to now is 1650.8 secs Computing kpt #: 217 total cpu time spent up to now is 1657.3 secs Computing kpt #: 218 total cpu time spent up to now is 1663.7 secs Computing kpt #: 219 total cpu time spent up to now is 1670.2 secs Computing kpt #: 220 total cpu time spent up to now is 1676.8 secs Computing kpt #: 221 total cpu time spent up to now is 1683.5 secs Computing kpt #: 222 total cpu time spent up to now is 1690.3 secs Computing kpt #: 223 total cpu time spent up to now is 1697.3 secs Computing kpt #: 224 total cpu time spent up to now is 1704.4 secs Computing kpt #: 225 total cpu time spent up to now is 1711.5 secs Computing kpt #: 226 total cpu time spent up to now is 1718.8 secs Computing kpt #: 227 total cpu time spent up to now is 1726.7 secs Computing kpt #: 228 total cpu time spent up to now is 1733.9 secs Computing kpt #: 229 total cpu time spent up to now is 1741.5 secs Computing kpt #: 230 total cpu time spent up to now is 1749.2 secs Computing kpt #: 231 total cpu time spent up to now is 1757.6 secs Computing kpt #: 232 total cpu time spent up to now is 1765.8 secs Computing kpt #: 233 total cpu time spent up to now is 1775.3 secs Computing kpt #: 234 total cpu time spent up to now is 1786.0 secs Computing kpt #: 235 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1798.9 secs Computing kpt #: 236 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1810.3 secs Computing kpt #: 237 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1821.8 secs Computing kpt #: 238 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1833.4 secs Computing kpt #: 239 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1844.8 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1856.0 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1867.0 secs Computing kpt #: 242 total cpu time spent up to now is 1876.6 secs Computing kpt #: 243 total cpu time spent up to now is 1886.0 secs Computing kpt #: 244 total cpu time spent up to now is 1894.9 secs Computing kpt #: 245 total cpu time spent up to now is 1904.0 secs Computing kpt #: 246 total cpu time spent up to now is 1912.7 secs Computing kpt #: 247 total cpu time spent up to now is 1918.8 secs Computing kpt #: 248 total cpu time spent up to now is 1924.7 secs Computing kpt #: 249 total cpu time spent up to now is 1930.7 secs Computing kpt #: 250 total cpu time spent up to now is 1936.8 secs Computing kpt #: 251 total cpu time spent up to now is 1942.7 secs Computing kpt #: 252 total cpu time spent up to now is 1949.1 secs Computing kpt #: 253 total cpu time spent up to now is 1955.5 secs Computing kpt #: 254 total cpu time spent up to now is 1962.2 secs Computing kpt #: 255 total cpu time spent up to now is 1968.7 secs Computing kpt #: 256 total cpu time spent up to now is 1975.0 secs Computing kpt #: 257 total cpu time spent up to now is 1981.5 secs Computing kpt #: 258 total cpu time spent up to now is 1988.0 secs Computing kpt #: 259 total cpu time spent up to now is 1994.4 secs Computing kpt #: 260 total cpu time spent up to now is 2001.0 secs Computing kpt #: 261 total cpu time spent up to now is 2007.6 secs Computing kpt #: 262 total cpu time spent up to now is 2014.4 secs Computing kpt #: 263 total cpu time spent up to now is 2021.5 secs Computing kpt #: 264 total cpu time spent up to now is 2028.9 secs Computing kpt #: 265 total cpu time spent up to now is 2035.5 secs Computing kpt #: 266 total cpu time spent up to now is 2041.9 secs ethr = 1.56E-11, avg # of iterations = 58.3 total cpu time spent up to now is 2042.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6771 PWs) bands (ev): -20.2889 -20.2889 -20.1409 -20.1409 -17.4725 -17.4725 -17.4624 -17.4624 -17.4251 -17.4251 -17.1700 -17.1700 -17.0184 -17.0184 -16.9436 -16.9436 -9.0443 -9.0443 -8.0761 -8.0761 -5.8432 -5.8432 -5.4725 -5.4725 -5.4403 -5.4403 -5.3123 -5.3123 -5.2219 -5.2219 -5.0750 -5.0750 -2.6681 -2.6681 -2.2424 -2.2424 -2.1769 -2.1769 -2.0607 -2.0607 -1.9960 -1.9960 -1.5793 -1.5793 -1.5106 -1.5106 -1.4051 -1.4051 -1.3874 -1.3874 -1.2970 -1.2970 -0.1632 -0.1632 -0.0460 -0.0460 0.6667 0.6667 0.8453 0.8453 0.8605 0.8605 0.8711 0.8711 6.5450 6.5450 8.8456 8.8456 9.2149 9.2149 10.0293 10.0293 10.3797 10.3797 10.5264 10.5264 k = 0.0000 0.0000 0.0261 ( 6767 PWs) bands (ev): -20.2886 -20.2886 -20.1408 -20.1408 -17.4768 -17.4740 -17.4627 -17.4623 -17.4240 -17.4216 -17.1700 -17.1699 -17.0186 -17.0185 -16.9436 -16.9436 -9.0429 -9.0429 -8.0747 -8.0747 -5.8457 -5.8450 -5.4729 -5.4714 -5.4414 -5.4403 -5.3121 -5.3115 -5.2211 -5.2204 -5.0745 -5.0744 -2.6682 -2.6680 -2.2428 -2.2428 -2.1770 -2.1768 -2.0604 -2.0602 -1.9963 -1.9961 -1.5797 -1.5792 -1.5122 -1.5121 -1.4077 -1.4039 -1.3886 -1.3859 -1.2969 -1.2961 -0.1640 -0.1638 -0.0464 -0.0463 0.6655 0.6662 0.8435 0.8448 0.8596 0.8601 0.8694 0.8710 6.5473 6.5473 8.8470 8.8471 9.2166 9.2167 10.0284 10.0308 10.3810 10.3833 10.5266 10.5271 k = 0.0000 0.0000 0.0522 ( 6767 PWs) bands (ev): -20.2878 -20.2878 -20.1403 -20.1402 -17.4847 -17.4806 -17.4636 -17.4631 -17.4190 -17.4151 -17.1702 -17.1700 -17.0192 -17.0190 -16.9437 -16.9437 -9.0386 -9.0386 -8.0705 -8.0705 -5.8524 -5.8510 -5.4729 -5.4697 -5.4437 -5.4412 -5.3107 -5.3094 -5.2182 -5.2167 -5.0731 -5.0729 -2.6682 -2.6680 -2.2440 -2.2440 -2.1770 -2.1767 -2.0591 -2.0587 -1.9969 -1.9965 -1.5806 -1.5795 -1.5171 -1.5169 -1.4111 -1.4042 -1.3892 -1.3845 -1.2958 -1.2942 -0.1662 -0.1658 -0.0473 -0.0471 0.6627 0.6641 0.8393 0.8418 0.8573 0.8585 0.8659 0.8690 6.5542 6.5542 8.8513 8.8516 9.2216 9.2217 10.0283 10.0328 10.3872 10.3919 10.5277 10.5285 k = 0.0000 0.0000 0.0782 ( 6771 PWs) bands (ev): -20.2865 -20.2865 -20.1394 -20.1394 -17.4946 -17.4899 -17.4655 -17.4651 -17.4118 -17.4072 -17.1704 -17.1701 -17.0201 -17.0198 -16.9439 -16.9438 -9.0314 -9.0314 -8.0636 -8.0636 -5.8632 -5.8611 -5.4725 -5.4674 -5.4471 -5.4428 -5.3082 -5.3063 -5.2131 -5.2110 -5.0707 -5.0704 -2.6682 -2.6679 -2.2460 -2.2459 -2.1770 -2.1765 -2.0571 -2.0565 -1.9979 -1.9973 -1.5818 -1.5802 -1.5250 -1.5247 -1.4152 -1.4062 -1.3892 -1.3833 -1.2937 -1.2914 -0.1697 -0.1692 -0.0488 -0.0486 0.6581 0.6602 0.8328 0.8359 0.8533 0.8559 0.8610 0.8655 6.5657 6.5657 8.8584 8.8589 9.2299 9.2301 10.0289 10.0355 10.3982 10.4049 10.5297 10.5308 k = 0.0000 0.0000 0.1043 ( 6774 PWs) bands (ev): -20.2847 -20.2847 -20.1383 -20.1382 -17.5056 -17.5005 -17.4684 -17.4680 -17.4036 -17.3986 -17.1707 -17.1703 -17.0213 -17.0209 -16.9441 -16.9439 -9.0214 -9.0214 -8.0539 -8.0539 -5.8778 -5.8751 -5.4724 -5.4646 -5.4516 -5.4448 -5.3045 -5.3020 -5.2061 -5.2034 -5.0673 -5.0669 -2.6682 -2.6677 -2.2486 -2.2486 -2.1769 -2.1762 -2.0544 -2.0536 -1.9991 -1.9984 -1.5836 -1.5813 -1.5358 -1.5353 -1.4199 -1.4094 -1.3890 -1.3826 -1.2908 -1.2878 -0.1745 -0.1739 -0.0508 -0.0506 0.6518 0.6546 0.8237 0.8271 0.8472 0.8511 0.8564 0.8609 6.5818 6.5818 8.8683 8.8689 9.2417 9.2419 10.0306 10.0390 10.4134 10.4221 10.5329 10.5342 k = 0.0000 0.0000 0.1304 ( 6779 PWs) bands (ev): -20.2823 -20.2823 -20.1368 -20.1367 -17.5173 -17.5121 -17.4723 -17.4719 -17.3951 -17.3899 -17.1711 -17.1706 -17.0228 -17.0223 -16.9443 -16.9441 -9.0086 -9.0086 -8.0416 -8.0415 -5.8958 -5.8925 -5.4732 -5.4619 -5.4568 -5.4463 -5.2997 -5.2966 -5.1975 -5.1942 -5.0631 -5.0625 -2.6681 -2.6676 -2.2519 -2.2518 -2.1766 -2.1758 -2.0512 -2.0501 -2.0005 -1.9997 -1.5859 -1.5831 -1.5492 -1.5485 -1.4251 -1.4136 -1.3889 -1.3824 -1.2871 -1.2835 -0.1806 -0.1798 -0.0534 -0.0530 0.6438 0.6473 0.8120 0.8155 0.8383 0.8434 0.8530 0.8562 6.6023 6.6023 8.8808 8.8816 9.2569 9.2572 10.0334 10.0433 10.4321 10.4425 10.5378 10.5390 k = 0.0000 0.0000 0.1565 ( 6790 PWs) bands (ev): -20.2795 -20.2795 -20.1350 -20.1349 -17.5295 -17.5242 -17.4771 -17.4766 -17.3866 -17.3813 -17.1715 -17.1709 -17.0246 -17.0240 -16.9445 -16.9444 -8.9931 -8.9930 -8.0266 -8.0265 -5.9170 -5.9132 -5.4761 -5.4656 -5.4562 -5.4464 -5.2938 -5.2902 -5.1876 -5.1838 -5.0579 -5.0572 -2.6680 -2.6674 -2.2559 -2.2557 -2.1763 -2.1752 -2.0478 -2.0465 -2.0019 -2.0009 -1.5894 -1.5858 -1.5647 -1.5637 -1.4307 -1.4183 -1.3891 -1.3826 -1.2829 -1.2787 -0.1878 -0.1868 -0.0564 -0.0560 0.6339 0.6381 0.7978 0.8014 0.8269 0.8330 0.8499 0.8519 6.6273 6.6273 8.8958 8.8966 9.2755 9.2759 10.0374 10.0487 10.4532 10.4652 10.5452 10.5460 k = 0.0000 0.0000 0.1826 ( 6792 PWs) bands (ev): -20.2762 -20.2762 -20.1329 -20.1328 -17.5421 -17.5367 -17.4828 -17.4822 -17.3782 -17.3729 -17.1720 -17.1713 -17.0266 -17.0260 -16.9449 -16.9447 -8.9749 -8.9748 -8.0090 -8.0089 -5.9409 -5.9368 -5.4815 -5.4738 -5.4520 -5.4446 -5.2869 -5.2827 -5.1765 -5.1723 -5.0518 -5.0510 -2.6679 -2.6671 -2.2603 -2.2601 -2.1757 -2.1745 -2.0447 -2.0432 -2.0028 -2.0018 -1.5959 -1.5924 -1.5796 -1.5781 -1.4366 -1.4235 -1.3898 -1.3834 -1.2781 -1.2735 -0.1960 -0.1948 -0.0598 -0.0594 0.6222 0.6270 0.7813 0.7848 0.8134 0.8204 0.8470 0.8479 6.6566 6.6566 8.9129 8.9139 9.2977 9.2981 10.0428 10.0551 10.4749 10.4882 10.5564 10.5570 k = 0.0000 0.0000 0.2087 ( 6789 PWs) bands (ev): -20.2724 -20.2724 -20.1305 -20.1304 -17.5550 -17.5496 -17.4892 -17.4887 -17.3701 -17.3647 -17.1726 -17.1718 -17.0288 -17.0282 -16.9452 -16.9450 -8.9540 -8.9539 -7.9889 -7.9888 -5.9674 -5.9629 -5.4893 -5.4836 -5.4472 -5.4410 -5.2790 -5.2743 -5.1645 -5.1601 -5.0449 -5.0440 -2.6676 -2.6668 -2.2652 -2.2649 -2.1750 -2.1736 -2.0426 -2.0408 -2.0026 -2.0017 -1.6107 -1.6090 -1.5883 -1.5857 -1.4429 -1.4292 -1.3910 -1.3847 -1.2730 -1.2680 -0.2049 -0.2037 -0.0636 -0.0632 0.6088 0.6141 0.7626 0.7660 0.7979 0.8057 0.8440 0.8443 6.6901 6.6901 8.9321 8.9332 9.3234 9.3238 10.0494 10.0625 10.4950 10.5088 10.5727 10.5750 k = 0.0000 0.0000 0.2347 ( 6790 PWs) bands (ev): -20.2681 -20.2681 -20.1279 -20.1277 -17.5681 -17.5627 -17.4965 -17.4959 -17.3621 -17.3567 -17.1732 -17.1723 -17.0312 -17.0305 -16.9456 -16.9454 -8.9306 -8.9305 -7.9663 -7.9663 -5.9960 -5.9912 -5.4991 -5.4947 -5.4418 -5.4361 -5.2702 -5.2651 -5.1520 -5.1473 -5.0372 -5.0362 -2.6673 -2.6664 -2.2705 -2.2701 -2.1740 -2.1724 -2.0423 -2.0403 -2.0006 -1.9998 -1.6320 -1.6311 -1.5936 -1.5898 -1.4494 -1.4352 -1.3926 -1.3865 -1.2676 -1.2623 -0.2146 -0.2131 -0.0679 -0.0674 0.5936 0.5995 0.7418 0.7452 0.7805 0.7890 0.8409 0.8413 6.7278 6.7278 8.9531 8.9543 9.3526 9.3530 10.0572 10.0709 10.5115 10.5250 10.5963 10.6008 k = 0.0000 0.0000 0.2608 ( 6784 PWs) bands (ev): -20.2635 -20.2634 -20.1251 -20.1249 -17.5813 -17.5760 -17.5046 -17.5039 -17.3544 -17.3491 -17.1739 -17.1729 -17.0338 -17.0330 -16.9460 -16.9458 -8.9047 -8.9046 -7.9415 -7.9414 -6.0266 -6.0216 -5.5106 -5.5072 -5.4359 -5.4302 -5.2607 -5.2552 -5.1391 -5.1341 -5.0287 -5.0277 -2.6669 -2.6659 -2.2761 -2.2757 -2.1727 -2.1710 -2.0442 -2.0421 -1.9966 -1.9959 -1.6563 -1.6557 -1.5983 -1.5938 -1.4561 -1.4415 -1.3948 -1.3889 -1.2621 -1.2564 -0.2245 -0.2229 -0.0726 -0.0720 0.5768 0.5831 0.7191 0.7226 0.7615 0.7705 0.8379 0.8386 6.7694 6.7695 8.9757 8.9769 9.3852 9.3856 10.0660 10.0800 10.5247 10.5378 10.6269 10.6332 k = 0.0000 0.0000 0.2869 ( 6793 PWs) bands (ev): -20.2584 -20.2583 -20.1220 -20.1218 -17.5946 -17.5893 -17.5134 -17.5126 -17.3471 -17.3417 -17.1746 -17.1735 -17.0365 -17.0357 -16.9465 -16.9462 -8.8764 -8.8763 -7.9144 -7.9143 -6.0590 -6.0537 -5.5237 -5.5210 -5.4293 -5.4234 -5.2505 -5.2446 -5.1259 -5.1208 -5.0196 -5.0185 -2.6664 -2.6653 -2.2820 -2.2815 -2.1711 -2.1693 -2.0484 -2.0462 -1.9906 -1.9899 -1.6825 -1.6821 -1.6031 -1.5981 -1.4630 -1.4480 -1.3975 -1.3917 -1.2566 -1.2506 -0.2347 -0.2329 -0.0777 -0.0771 0.5584 0.5650 0.6948 0.6983 0.7409 0.7504 0.8352 0.8362 6.8150 6.8151 8.9997 9.0009 9.4212 9.4216 10.0755 10.0897 10.5361 10.5489 10.6624 10.6699 k = 0.0000 0.0000 0.3130 ( 6789 PWs) bands (ev): -20.2529 -20.2529 -20.1188 -20.1185 -17.6080 -17.6028 -17.5229 -17.5220 -17.3399 -17.3347 -17.1754 -17.1742 -17.0393 -17.0384 -16.9469 -16.9467 -8.8458 -8.8457 -7.8852 -7.8850 -6.0928 -6.0874 -5.5383 -5.5362 -5.4221 -5.4160 -5.2397 -5.2335 -5.1127 -5.1074 -5.0099 -5.0088 -2.6658 -2.6646 -2.2882 -2.2876 -2.1692 -2.1672 -2.0544 -2.0521 -1.9832 -1.9824 -1.7102 -1.7098 -1.6084 -1.6029 -1.4701 -1.4547 -1.4006 -1.3951 -1.2510 -1.2448 -0.2446 -0.2427 -0.0832 -0.0826 0.5386 0.5455 0.6691 0.6727 0.7188 0.7287 0.8328 0.8339 6.8643 6.8644 9.0248 9.0261 9.4605 9.4608 10.0854 10.0996 10.5468 10.5596 10.7012 10.7095 k = 0.0000 0.0000 0.3391 ( 6785 PWs) bands (ev): -20.2471 -20.2470 -20.1154 -20.1151 -17.6213 -17.6161 -17.5330 -17.5320 -17.3331 -17.3279 -17.1762 -17.1749 -17.0421 -17.0412 -16.9474 -16.9472 -8.8131 -8.8130 -7.8541 -7.8538 -6.1280 -6.1224 -5.5544 -5.5528 -5.4142 -5.4079 -5.2284 -5.2220 -5.0995 -5.0942 -4.9996 -4.9984 -2.6650 -2.6637 -2.2945 -2.2938 -2.1669 -2.1647 -2.0621 -2.0597 -1.9746 -1.9737 -1.7390 -1.7387 -1.6141 -1.6082 -1.4772 -1.4616 -1.4043 -1.3990 -1.2456 -1.2391 -0.2542 -0.2522 -0.0893 -0.0886 0.5175 0.5245 0.6422 0.6459 0.6955 0.7057 0.8307 0.8319 6.9173 6.9174 9.0510 9.0523 9.5028 9.5031 10.0951 10.1092 10.5575 10.5705 10.7422 10.7507 k = 0.0000 0.0000 0.3652 ( 6785 PWs) bands (ev): -20.2410 -20.2409 -20.1119 -20.1116 -17.6346 -17.6294 -17.5437 -17.5426 -17.3266 -17.3214 -17.1771 -17.1757 -17.0449 -17.0440 -16.9480 -16.9477 -8.7783 -8.7782 -7.8211 -7.8208 -6.1643 -6.1586 -5.5719 -5.5707 -5.4057 -5.3992 -5.2169 -5.2103 -5.0865 -5.0811 -4.9888 -4.9876 -2.6640 -2.6627 -2.3009 -2.3002 -2.1642 -2.1620 -2.0713 -2.0689 -1.9652 -1.9641 -1.7685 -1.7682 -1.6205 -1.6142 -1.4844 -1.4687 -1.4085 -1.4034 -1.2403 -1.2336 -0.2632 -0.2610 -0.0958 -0.0950 0.4953 0.5023 0.6145 0.6184 0.6709 0.6814 0.8288 0.8301 6.9737 6.9738 9.0780 9.0793 9.5478 9.5481 10.1043 10.1180 10.5685 10.5817 10.7839 10.7922 k = 0.0000 0.0000 0.3912 ( 6786 PWs) bands (ev): -20.2345 -20.2344 -20.1083 -20.1081 -17.6477 -17.6426 -17.5549 -17.5538 -17.3204 -17.3152 -17.1781 -17.1766 -17.0477 -17.0468 -16.9485 -16.9483 -8.7416 -8.7415 -7.7866 -7.7862 -6.2016 -6.1957 -5.5909 -5.5900 -5.3966 -5.3898 -5.2052 -5.1984 -5.0736 -5.0683 -4.9776 -4.9764 -2.6629 -2.6614 -2.3075 -2.3066 -2.1611 -2.1588 -2.0819 -2.0794 -1.9550 -1.9538 -1.7984 -1.7981 -1.6274 -1.6209 -1.4915 -1.4758 -1.4131 -1.4082 -1.2353 -1.2284 -0.2712 -0.2689 -0.1028 -0.1020 0.4719 0.4788 0.5862 0.5903 0.6454 0.6560 0.8272 0.8285 7.0335 7.0336 9.1057 9.1070 9.5953 9.5956 10.1122 10.1254 10.5798 10.5932 10.8245 10.8316 k = 0.0000 0.0000 0.4173 ( 6790 PWs) bands (ev): -20.2278 -20.2277 -20.1047 -20.1044 -17.6606 -17.6556 -17.5666 -17.5653 -17.3144 -17.3093 -17.1790 -17.1774 -17.0505 -17.0496 -16.9491 -16.9488 -8.7031 -8.7030 -7.7506 -7.7501 -6.2397 -6.2337 -5.6112 -5.6106 -5.3869 -5.3800 -5.1935 -5.1866 -5.0611 -5.0557 -4.9660 -4.9648 -2.6615 -2.6600 -2.3140 -2.3131 -2.1577 -2.1554 -2.0940 -2.0915 -1.9443 -1.9428 -1.8283 -1.8280 -1.6349 -1.6283 -1.4986 -1.4830 -1.4182 -1.4135 -1.2306 -1.2235 -0.2781 -0.2757 -0.1104 -0.1095 0.4475 0.4542 0.5578 0.5621 0.6191 0.6297 0.8258 0.8271 7.0964 7.0965 9.1340 9.1353 9.6448 9.6452 10.1181 10.1306 10.5912 10.6049 10.8588 10.8627 k = 0.0000 0.0000 0.4434 ( 6791 PWs) bands (ev): -20.2209 -20.2208 -20.1011 -20.1008 -17.6732 -17.6683 -17.5786 -17.5773 -17.3087 -17.3037 -17.1800 -17.1784 -17.0533 -17.0524 -16.9496 -16.9494 -8.6630 -8.6628 -7.7133 -7.7128 -6.2784 -6.2722 -5.6328 -5.6326 -5.3767 -5.3696 -5.1820 -5.1749 -5.0488 -5.0436 -4.9542 -4.9530 -2.6599 -2.6583 -2.3206 -2.3196 -2.1541 -2.1518 -2.1075 -2.1049 -1.9330 -1.9314 -1.8577 -1.8574 -1.6431 -1.6364 -1.5056 -1.4902 -1.4237 -1.4191 -1.2262 -1.2190 -0.2837 -0.2813 -0.1185 -0.1175 0.4222 0.4286 0.5296 0.5342 0.5921 0.6027 0.8246 0.8259 7.1624 7.1625 9.1627 9.1640 9.6956 9.6962 10.1213 10.1330 10.6025 10.6163 10.8770 10.8776 k = 0.0000 0.0000 0.4695 ( 6799 PWs) bands (ev): -20.2138 -20.2137 -20.0975 -20.0972 -17.6855 -17.6806 -17.5910 -17.5896 -17.3033 -17.2984 -17.1811 -17.1793 -17.0560 -17.0551 -16.9502 -16.9500 -8.6213 -8.6212 -7.6751 -7.6744 -6.3174 -6.3112 -5.6559 -5.6558 -5.3659 -5.3587 -5.1707 -5.1635 -5.0369 -5.0317 -4.9422 -4.9411 -2.6580 -2.6563 -2.3272 -2.3261 -2.1507 -2.1487 -2.1224 -2.1190 -1.9220 -1.9199 -1.8857 -1.8851 -1.6520 -1.6453 -1.5125 -1.4974 -1.4297 -1.4252 -1.2223 -1.2150 -0.2879 -0.2853 -0.1270 -0.1260 0.3959 0.4019 0.5019 0.5067 0.5646 0.5751 0.8236 0.8248 7.2312 7.2314 9.1918 9.1929 9.7472 9.7480 10.1212 10.1318 10.6133 10.6272 10.8758 10.8788 k = 0.0000 0.0000 0.4956 ( 6799 PWs) bands (ev): -20.2066 -20.2065 -20.0940 -20.0936 -17.6973 -17.6926 -17.6036 -17.6021 -17.2981 -17.2933 -17.1821 -17.1803 -17.0586 -17.0577 -16.9508 -16.9505 -8.5784 -8.5782 -7.6362 -7.6354 -6.3566 -6.3503 -5.6803 -5.6801 -5.3547 -5.3473 -5.1599 -5.1527 -5.0252 -5.0203 -4.9301 -4.9290 -2.6558 -2.6541 -2.3338 -2.3325 -2.1513 -2.1483 -2.1363 -2.1303 -1.9210 -1.9170 -1.9038 -1.9006 -1.6614 -1.6549 -1.5192 -1.5046 -1.4360 -1.4316 -1.2187 -1.2114 -0.2904 -0.2878 -0.1360 -0.1349 0.3687 0.3742 0.4752 0.4800 0.5370 0.5472 0.8227 0.8239 7.3028 7.3030 9.2209 9.2221 9.7981 9.7991 10.1174 10.1269 10.6231 10.6368 10.8655 10.8695 k = 0.0000 0.0000 0.5217 ( 6801 PWs) bands (ev): -20.1992 -20.1991 -20.0906 -20.0902 -17.7087 -17.7041 -17.6163 -17.6148 -17.2932 -17.2886 -17.1832 -17.1813 -17.0611 -17.0602 -16.9513 -16.9511 -8.5343 -8.5342 -7.5970 -7.5960 -6.3957 -6.3893 -5.7060 -5.7056 -5.3430 -5.3356 -5.1497 -5.1425 -5.0139 -5.0092 -4.9180 -4.9170 -2.6533 -2.6515 -2.3402 -2.3388 -2.1639 -2.1615 -2.1374 -2.1318 -1.9429 -1.9404 -1.8934 -1.8911 -1.6715 -1.6652 -1.5259 -1.5116 -1.4426 -1.4382 -1.2157 -1.2083 -0.2913 -0.2887 -0.1454 -0.1441 0.3407 0.3457 0.4494 0.4542 0.5094 0.5193 0.8220 0.8231 7.3768 7.3771 9.2501 9.2512 9.8460 9.8473 10.1108 10.1191 10.6311 10.6445 10.8508 10.8552 k = 0.0000 0.0000 0.5477 ( 6794 PWs) bands (ev): -20.1918 -20.1917 -20.0873 -20.0869 -17.7196 -17.7150 -17.6291 -17.6275 -17.2886 -17.2840 -17.1843 -17.1823 -17.0634 -17.0626 -16.9519 -16.9517 -8.4893 -8.4891 -7.5578 -7.5567 -6.4344 -6.4278 -5.7329 -5.7322 -5.3310 -5.3235 -5.1403 -5.1330 -5.0029 -4.9984 -4.9060 -4.9050 -2.6504 -2.6485 -2.3465 -2.3450 -2.1833 -2.1813 -2.1335 -2.1286 -1.9659 -1.9637 -1.8802 -1.8779 -1.6822 -1.6761 -1.5324 -1.5186 -1.4495 -1.4452 -1.2131 -1.2057 -0.2904 -0.2878 -0.1549 -0.1536 0.3120 0.3167 0.4248 0.4293 0.4824 0.4916 0.8214 0.8225 7.4533 7.4535 9.2791 9.2801 9.8861 9.8877 10.1048 10.1117 10.6367 10.6496 10.8353 10.8400 k = 0.0000 0.0000 0.5738 ( 6790 PWs) bands (ev): -20.1844 -20.1843 -20.0842 -20.0838 -17.7298 -17.7254 -17.6419 -17.6401 -17.2842 -17.2798 -17.1853 -17.1834 -17.0657 -17.0649 -16.9524 -16.9522 -8.4436 -8.4434 -7.5190 -7.5177 -6.4722 -6.4656 -5.7608 -5.7599 -5.3187 -5.3111 -5.1318 -5.1245 -4.9922 -4.9880 -4.8942 -4.8933 -2.6471 -2.6452 -2.3527 -2.3511 -2.2053 -2.2032 -2.1294 -2.1247 -1.9866 -1.9845 -1.8665 -1.8640 -1.6934 -1.6875 -1.5387 -1.5255 -1.4567 -1.4523 -1.2111 -1.2037 -0.2878 -0.2852 -0.1646 -0.1632 0.2830 0.2872 0.4010 0.4048 0.4564 0.4647 0.8209 0.8219 7.5319 7.5322 9.3078 9.3087 9.9091 9.9106 10.1079 10.1132 10.6396 10.6517 10.8217 10.8263 k = 0.0000 0.0000 0.5999 ( 6790 PWs) bands (ev): -20.1771 -20.1770 -20.0813 -20.0809 -17.7394 -17.7351 -17.6545 -17.6527 -17.2801 -17.2758 -17.1864 -17.1844 -17.0678 -17.0670 -16.9529 -16.9527 -8.3974 -8.3972 -7.4813 -7.4798 -6.5089 -6.5022 -5.7896 -5.7886 -5.3061 -5.2986 -5.1243 -5.1170 -4.9819 -4.9779 -4.8826 -4.8818 -2.6434 -2.6414 -2.3587 -2.3570 -2.2289 -2.2265 -2.1261 -2.1214 -2.0041 -2.0021 -1.8523 -1.8496 -1.7051 -1.6993 -1.5450 -1.5323 -1.4640 -1.4597 -1.2095 -1.2023 -0.2835 -0.2809 -0.1742 -0.1727 0.2538 0.2577 0.3776 0.3804 0.4322 0.4390 0.8204 0.8214 7.6125 7.6129 9.3358 9.3367 9.9049 9.9061 10.1293 10.1328 10.6396 10.6507 10.8114 10.8156 k = 0.0000 0.0000 0.6260 ( 6788 PWs) bands (ev): -20.1698 -20.1697 -20.0786 -20.0783 -17.7483 -17.7441 -17.6669 -17.6650 -17.2762 -17.2720 -17.1875 -17.1855 -17.0698 -17.0691 -16.9534 -16.9532 -8.3510 -8.3508 -7.4451 -7.4434 -6.5438 -6.5370 -5.8192 -5.8181 -5.2934 -5.2858 -5.1180 -5.1107 -4.9719 -4.9682 -4.8715 -4.8707 -2.6392 -2.6372 -2.3646 -2.3627 -2.2535 -2.2507 -2.1244 -2.1198 -2.0177 -2.0157 -1.8378 -1.8349 -1.7170 -1.7115 -1.5513 -1.5390 -1.4715 -1.4672 -1.2085 -1.2015 -0.2776 -0.2750 -0.1836 -0.1821 0.2249 0.2285 0.3538 0.3559 0.4102 0.4154 0.8201 0.8209 7.6950 7.6953 9.3631 9.3640 9.8750 9.8760 10.1674 10.1694 10.6373 10.6473 10.8045 10.8083 k = 0.0000 0.0000 0.6521 ( 6792 PWs) bands (ev): -20.1628 -20.1626 -20.0763 -20.0759 -17.7564 -17.7523 -17.6790 -17.6770 -17.2725 -17.2686 -17.1886 -17.1865 -17.0716 -17.0709 -16.9539 -16.9537 -8.3047 -8.3045 -7.4112 -7.4092 -6.5763 -6.5694 -5.8495 -5.8482 -5.2806 -5.2731 -5.1128 -5.1056 -4.9622 -4.9589 -4.8609 -4.8602 -2.6344 -2.6324 -2.3705 -2.3682 -2.2786 -2.2754 -2.1252 -2.1208 -2.0264 -2.0244 -1.8232 -1.8202 -1.7292 -1.7237 -1.5575 -1.5456 -1.4791 -1.4748 -1.2080 -1.2012 -0.2702 -0.2677 -0.1926 -0.1910 0.1967 0.2000 0.3287 0.3313 0.3910 0.3943 0.8198 0.8206 7.7790 7.7794 9.3893 9.3901 9.8276 9.8283 10.2140 10.2152 10.6333 10.6422 10.8004 10.8039 k = 0.0000 0.0000 0.6782 ( 6782 PWs) bands (ev): -20.1559 -20.1557 -20.0742 -20.0739 -17.7637 -17.7597 -17.6906 -17.6886 -17.2691 -17.2654 -17.1896 -17.1876 -17.0733 -17.0727 -16.9543 -16.9542 -8.2589 -8.2587 -7.3803 -7.3781 -6.6057 -6.5988 -5.8801 -5.8787 -5.2678 -5.2603 -5.1088 -5.1017 -4.9530 -4.9500 -4.8508 -4.8501 -2.6292 -2.6270 -2.3764 -2.3737 -2.3037 -2.3000 -2.1291 -2.1249 -2.0300 -2.0279 -1.8089 -1.8059 -1.7410 -1.7356 -1.5637 -1.5521 -1.4867 -1.4824 -1.2079 -1.2014 -0.2615 -0.2592 -0.2009 -0.1992 0.1694 0.1726 0.3026 0.3063 0.3744 0.3762 0.8195 0.8203 7.8643 7.8648 9.4139 9.4147 9.7689 9.7695 10.2639 10.2645 10.6283 10.6362 10.7981 10.8014 k = 0.0000 0.0000 0.7042 ( 6787 PWs) bands (ev): -20.1493 -20.1491 -20.0724 -20.0721 -17.7702 -17.7663 -17.7018 -17.6997 -17.2660 -17.2625 -17.1906 -17.1886 -17.0748 -17.0742 -16.9547 -16.9546 -8.2139 -8.2138 -7.3533 -7.3510 -6.6313 -6.6244 -5.9108 -5.9093 -5.2551 -5.2477 -5.1061 -5.0990 -4.9443 -4.9416 -4.8414 -4.8408 -2.6232 -2.6211 -2.3827 -2.3793 -2.3281 -2.3237 -2.1356 -2.1318 -2.0289 -2.0266 -1.7959 -1.7931 -1.7516 -1.7458 -1.5700 -1.5585 -1.4943 -1.4901 -1.2082 -1.2020 -0.2519 -0.2497 -0.2083 -0.2066 0.1434 0.1466 0.2760 0.2808 0.3602 0.3610 0.8193 0.8200 7.9507 7.9512 9.4363 9.4371 9.7029 9.7035 10.3141 10.3145 10.6227 10.6297 10.7970 10.8000 k = 0.0000 0.0000 0.7303 ( 6784 PWs) bands (ev): -20.1430 -20.1428 -20.0710 -20.0707 -17.7757 -17.7720 -17.7124 -17.7102 -17.2631 -17.2599 -17.1915 -17.1896 -17.0762 -17.0756 -16.9551 -16.9550 -8.1703 -8.1701 -7.3309 -7.3285 -6.6522 -6.6455 -5.9412 -5.9396 -5.2425 -5.2353 -5.1046 -5.0976 -4.9362 -4.9338 -4.8327 -4.8322 -2.6167 -2.6145 -2.3902 -2.3860 -2.3505 -2.3454 -2.1437 -2.1402 -2.0243 -2.0217 -1.7884 -1.7862 -1.7566 -1.7502 -1.5765 -1.5651 -1.5017 -1.4977 -1.2088 -1.2031 -0.2420 -0.2400 -0.2140 -0.2124 0.1192 0.1224 0.2495 0.2550 0.3479 0.3483 0.8192 0.8198 8.0377 8.0382 9.4548 9.4557 9.6336 9.6341 10.3630 10.3635 10.6170 10.6231 10.7964 10.7992 k = 0.0000 0.0000 0.7564 ( 6774 PWs) bands (ev): -20.1371 -20.1370 -20.0698 -20.0695 -17.7803 -17.7768 -17.7222 -17.7201 -17.2605 -17.2575 -17.1923 -17.1906 -17.0774 -17.0769 -16.9554 -16.9553 -8.1286 -8.1285 -7.3138 -7.3113 -6.6680 -6.6616 -5.9708 -5.9692 -5.2304 -5.2232 -5.1042 -5.0974 -4.9287 -4.9267 -4.8249 -4.8244 -2.6094 -2.6071 -2.4007 -2.3962 -2.3683 -2.3629 -2.1524 -2.1493 -2.0172 -2.0145 -1.7923 -1.7899 -1.7503 -1.7438 -1.5832 -1.5718 -1.5088 -1.5051 -1.2096 -1.2044 -0.2339 -0.2323 -0.2162 -0.2148 0.0972 0.1004 0.2236 0.2295 0.3374 0.3380 0.8191 0.8196 8.1249 8.1255 9.4629 9.4640 9.5688 9.5692 10.4096 10.4104 10.6112 10.6165 10.7958 10.7985 k = 0.0000 0.0000 0.7825 ( 6763 PWs) bands (ev): -20.1318 -20.1316 -20.0690 -20.0687 -17.7840 -17.7807 -17.7312 -17.7291 -17.2581 -17.2555 -17.1931 -17.1915 -17.0784 -17.0780 -16.9557 -16.9556 -8.0895 -8.0894 -7.3021 -7.2997 -6.6783 -6.6724 -5.9990 -5.9975 -5.2186 -5.2117 -5.1049 -5.0982 -4.9221 -4.9203 -4.8180 -4.8175 -2.6013 -2.5990 -2.4158 -2.4122 -2.3787 -2.3746 -2.1608 -2.1581 -2.0087 -2.0059 -1.8024 -1.7998 -1.7377 -1.7311 -1.5902 -1.5789 -1.5155 -1.5121 -1.2106 -1.2060 -0.2323 -0.2309 -0.2110 -0.2095 0.0776 0.0811 0.1986 0.2047 0.3287 0.3295 0.8190 0.8194 8.2116 8.2122 9.4354 9.4368 9.5352 9.5356 10.4530 10.4542 10.6057 10.6101 10.7950 10.7974 k = 0.0000 0.0000 0.8086 ( 6764 PWs) bands (ev): -20.1270 -20.1268 -20.0685 -20.0682 -17.7868 -17.7838 -17.7393 -17.7372 -17.2561 -17.2538 -17.1937 -17.1923 -17.0793 -17.0789 -16.9560 -16.9559 -8.0538 -8.0537 -7.2955 -7.2934 -6.6836 -6.6783 -6.0253 -6.0238 -5.2075 -5.2009 -5.1065 -5.1001 -4.9162 -4.9148 -4.8120 -4.8116 -2.5925 -2.5902 -2.4341 -2.4313 -2.3842 -2.3816 -2.1685 -2.1662 -1.9994 -1.9966 -1.8139 -1.8112 -1.7234 -1.7166 -1.5977 -1.5865 -1.5216 -1.5186 -1.2115 -1.2076 -0.2345 -0.2330 -0.2013 -0.1998 0.0611 0.0647 0.1751 0.1812 0.3217 0.3224 0.8189 0.8193 8.2969 8.2976 9.3701 9.3713 9.5367 9.5370 10.4923 10.4939 10.6005 10.6042 10.7936 10.7958 k = 0.0000 0.0000 0.8347 ( 6759 PWs) bands (ev): -20.1228 -20.1227 -20.0681 -20.0679 -17.7888 -17.7861 -17.7462 -17.7443 -17.2543 -17.2524 -17.1943 -17.1931 -17.0800 -17.0797 -16.9562 -16.9561 -8.0224 -8.0223 -7.2932 -7.2914 -6.6847 -6.6802 -6.0486 -6.0473 -5.1972 -5.1911 -5.1087 -5.1028 -4.9113 -4.9102 -4.8070 -4.8067 -2.5828 -2.5806 -2.4530 -2.4506 -2.3877 -2.3860 -2.1751 -2.1733 -1.9898 -1.9873 -1.8252 -1.8227 -1.7089 -1.7018 -1.6058 -1.5948 -1.5269 -1.5242 -1.2124 -1.2092 -0.2368 -0.2355 -0.1912 -0.1898 0.0479 0.0516 0.1537 0.1595 0.3161 0.3168 0.8189 0.8192 8.3793 8.3799 9.2960 9.2971 9.5459 9.5461 10.5266 10.5288 10.5959 10.5992 10.7916 10.7935 k = 0.0000 0.0000 0.8607 ( 6759 PWs) bands (ev): -20.1194 -20.1193 -20.0680 -20.0678 -17.7899 -17.7877 -17.7519 -17.7503 -17.2529 -17.2514 -17.1946 -17.1937 -17.0805 -17.0803 -16.9563 -16.9563 -7.9964 -7.9963 -7.2938 -7.2924 -6.6830 -6.6795 -6.0682 -6.0671 -5.1879 -5.1826 -5.1112 -5.1060 -4.9074 -4.9066 -4.8030 -4.8028 -2.5726 -2.5704 -2.4711 -2.4689 -2.3901 -2.3890 -2.1804 -2.1790 -1.9808 -1.9786 -1.8354 -1.8332 -1.6947 -1.6873 -1.6144 -1.6038 -1.5310 -1.5290 -1.2132 -1.2107 -0.2386 -0.2375 -0.1821 -0.1810 0.0384 0.0420 0.1353 0.1404 0.3119 0.3125 0.8189 0.8191 8.4559 8.4565 9.2237 9.2247 9.5549 9.5551 10.5545 10.5577 10.5922 10.5955 10.7892 10.7907 k = 0.0000 0.0000 0.8868 ( 6765 PWs) bands (ev): -20.1169 -20.1169 -20.0680 -20.0678 -17.7904 -17.7888 -17.7561 -17.7548 -17.2517 -17.2508 -17.1949 -17.1943 -17.0809 -17.0808 -16.9565 -16.9564 -7.9768 -7.9768 -7.2957 -7.2948 -6.6801 -6.6777 -6.0830 -6.0822 -5.1802 -5.1761 -5.1135 -5.1095 -4.9045 -4.9040 -4.8002 -4.8001 -2.5620 -2.5600 -2.4874 -2.4854 -2.3917 -2.3910 -2.1842 -2.1833 -1.9730 -1.9713 -1.8438 -1.8421 -1.6813 -1.6740 -1.6231 -1.6136 -1.5340 -1.5325 -1.2136 -1.2120 -0.2397 -0.2390 -0.1749 -0.1741 0.0326 0.0356 0.1209 0.1249 0.3090 0.3094 0.8189 0.8190 8.5222 8.5227 9.1601 9.1608 9.5620 9.5621 10.5739 10.5790 10.5901 10.5949 10.7866 10.7878 k = 0.0000 0.0000 0.9129 ( 6759 PWs) bands (ev): -20.1154 -20.1153 -20.0679 -20.0679 -17.7904 -17.7895 -17.7586 -17.7579 -17.2510 -17.2505 -17.1950 -17.1946 -17.0811 -17.0811 -16.9565 -16.9565 -7.9646 -7.9646 -7.2975 -7.2970 -6.6774 -6.6761 -6.0922 -6.0918 -5.1746 -5.1723 -5.1148 -5.1125 -4.9027 -4.9024 -4.7985 -4.7984 -2.5523 -2.5508 -2.5001 -2.4987 -2.3925 -2.3922 -2.1864 -2.1860 -1.9675 -1.9666 -1.8492 -1.8482 -1.6695 -1.6637 -1.6303 -1.6234 -1.5356 -1.5349 -1.2138 -1.2129 -0.2403 -0.2399 -0.1703 -0.1699 0.0301 0.0319 0.1119 0.1141 0.3073 0.3075 0.8189 0.8190 8.5698 8.5701 9.1140 9.1145 9.5664 9.5664 10.5819 10.5849 10.5961 10.5989 10.7848 10.7854 k = 0.0000 0.0000 0.9390 ( 6762 PWs) bands (ev): -20.1148 -20.1148 -20.0679 -20.0679 -17.7901 -17.7901 -17.7592 -17.7592 -17.2505 -17.2505 -17.1949 -17.1949 -17.0812 -17.0812 -16.9565 -16.9565 -7.9604 -7.9604 -7.2980 -7.2980 -6.6759 -6.6759 -6.0952 -6.0952 -5.1718 -5.1718 -5.1145 -5.1145 -4.9020 -4.9020 -4.7979 -4.7979 -2.5472 -2.5472 -2.5050 -2.5050 -2.3927 -2.3927 -2.1870 -2.1870 -1.9652 -1.9652 -1.8508 -1.8508 -1.6618 -1.6618 -1.6308 -1.6308 -1.5359 -1.5359 -1.2135 -1.2135 -0.2403 -0.2403 -0.1685 -0.1685 0.0301 0.0301 0.1096 0.1096 0.3068 0.3068 0.8189 0.8189 8.5878 8.5878 9.0968 9.0968 9.5679 9.5679 10.5839 10.5839 10.6012 10.6012 10.7842 10.7842 k = 0.0000 0.0000 0.9390 ( 6762 PWs) bands (ev): -20.1148 -20.1148 -20.0679 -20.0679 -17.7901 -17.7901 -17.7592 -17.7592 -17.2505 -17.2505 -17.1949 -17.1949 -17.0812 -17.0812 -16.9565 -16.9565 -7.9604 -7.9604 -7.2980 -7.2980 -6.6759 -6.6759 -6.0952 -6.0952 -5.1718 -5.1718 -5.1145 -5.1145 -4.9020 -4.9020 -4.7979 -4.7979 -2.5472 -2.5472 -2.5050 -2.5050 -2.3927 -2.3927 -2.1870 -2.1870 -1.9652 -1.9652 -1.8508 -1.8508 -1.6618 -1.6618 -1.6308 -1.6308 -1.5359 -1.5359 -1.2135 -1.2135 -0.2403 -0.2403 -0.1685 -0.1685 0.0301 0.0301 0.1096 0.1096 0.3068 0.3068 0.8189 0.8189 8.5878 8.5878 9.0968 9.0968 9.5679 9.5679 10.5839 10.5839 10.6012 10.6012 10.7842 10.7842 k = 0.0000 0.0262 0.9390 ( 6761 PWs) bands (ev): -20.1147 -20.1147 -20.0679 -20.0679 -17.7901 -17.7899 -17.7592 -17.7591 -17.2511 -17.2506 -17.1949 -17.1945 -17.0815 -17.0814 -16.9566 -16.9566 -7.9593 -7.9592 -7.2985 -7.2984 -6.6755 -6.6751 -6.0963 -6.0961 -5.1724 -5.1711 -5.1146 -5.1135 -4.9022 -4.9021 -4.7978 -4.7976 -2.5476 -2.5472 -2.5052 -2.5046 -2.3944 -2.3936 -2.1885 -2.1879 -1.9640 -1.9631 -1.8496 -1.8493 -1.6632 -1.6607 -1.6314 -1.6290 -1.5361 -1.5360 -1.2137 -1.2134 -0.2407 -0.2403 -0.1686 -0.1683 0.0263 0.0290 0.1108 0.1135 0.3051 0.3053 0.8179 0.8182 8.5892 8.5892 9.0990 9.0990 9.5681 9.5681 10.5839 10.5845 10.6017 10.6022 10.7851 10.7862 k = 0.0000 0.0524 0.9390 ( 6764 PWs) bands (ev): -20.1143 -20.1143 -20.0680 -20.0680 -17.7899 -17.7895 -17.7591 -17.7590 -17.2521 -17.2512 -17.1945 -17.1939 -17.0823 -17.0821 -16.9567 -16.9567 -7.9558 -7.9557 -7.2999 -7.2996 -6.6740 -6.6732 -6.0994 -6.0991 -5.1730 -5.1704 -5.1141 -5.1119 -4.9026 -4.9024 -4.7974 -4.7970 -2.5484 -2.5477 -2.5052 -2.5040 -2.3986 -2.3971 -2.1924 -2.1911 -1.9598 -1.9579 -1.8459 -1.8453 -1.6647 -1.6601 -1.6306 -1.6262 -1.5364 -1.5363 -1.2139 -1.2134 -0.2416 -0.2407 -0.1685 -0.1680 0.0190 0.0235 0.1166 0.1212 0.3002 0.3006 0.8153 0.8159 8.5934 8.5934 9.1054 9.1055 9.5687 9.5688 10.5847 10.5857 10.6038 10.6048 10.7889 10.7910 k = 0.0000 0.0786 0.9390 ( 6780 PWs) bands (ev): -20.1137 -20.1137 -20.0680 -20.0680 -17.7896 -17.7890 -17.7591 -17.7588 -17.2537 -17.2524 -17.1939 -17.1930 -17.0836 -17.0833 -16.9570 -16.9569 -7.9500 -7.9498 -7.3022 -7.3018 -6.6711 -6.6699 -6.1045 -6.1040 -5.1734 -5.1696 -5.1128 -5.1097 -4.9032 -4.9029 -4.7968 -4.7960 -2.5496 -2.5486 -2.5050 -2.5033 -2.4050 -2.4028 -2.1983 -2.1964 -1.9528 -1.9499 -1.8398 -1.8389 -1.6662 -1.6600 -1.6283 -1.6223 -1.5370 -1.5369 -1.2142 -1.2134 -0.2428 -0.2415 -0.1685 -0.1677 0.0099 0.0155 0.1254 0.1312 0.2923 0.2928 0.8110 0.8118 8.6003 8.6004 9.1162 9.1163 9.5698 9.5699 10.5860 10.5876 10.6075 10.6090 10.7953 10.7985 k = 0.0000 0.1048 0.9390 ( 6780 PWs) bands (ev): -20.1129 -20.1128 -20.0681 -20.0680 -17.7892 -17.7883 -17.7589 -17.7585 -17.2558 -17.2540 -17.1929 -17.1918 -17.0854 -17.0850 -16.9573 -16.9571 -7.9419 -7.9416 -7.3056 -7.3051 -6.6669 -6.6653 -6.1116 -6.1110 -5.1736 -5.1688 -5.1108 -5.1070 -4.9041 -4.9036 -4.7958 -4.7948 -2.5513 -2.5499 -2.5048 -2.5025 -2.4131 -2.4102 -2.2060 -2.2036 -1.9437 -1.9399 -1.8315 -1.8305 -1.6675 -1.6601 -1.6246 -1.6176 -1.5378 -1.5376 -1.2145 -1.2135 -0.2442 -0.2425 -0.1689 -0.1678 0.0006 0.0068 0.1357 0.1421 0.2813 0.2820 0.8052 0.8063 8.6099 8.6100 9.1311 9.1312 9.5714 9.5715 10.5877 10.5898 10.6128 10.6147 10.8041 10.8084 k = 0.0000 0.1310 0.9390 ( 6776 PWs) bands (ev): -20.1118 -20.1117 -20.0682 -20.0681 -17.7886 -17.7874 -17.7587 -17.7582 -17.2583 -17.2561 -17.1917 -17.1904 -17.0877 -17.0872 -16.9577 -16.9575 -7.9316 -7.9312 -7.3102 -7.3096 -6.6611 -6.6592 -6.1207 -6.1199 -5.1735 -5.1678 -5.1084 -5.1040 -4.9051 -4.9045 -4.7945 -4.7933 -2.5533 -2.5516 -2.5048 -2.5018 -2.4222 -2.4186 -2.2152 -2.2123 -1.9330 -1.9283 -1.8215 -1.8204 -1.6686 -1.6604 -1.6195 -1.6120 -1.5388 -1.5385 -1.2148 -1.2136 -0.2459 -0.2438 -0.1702 -0.1687 -0.0078 -0.0013 0.1465 0.1532 0.2675 0.2684 0.7979 0.7993 8.6222 8.6224 9.1501 9.1503 9.5733 9.5735 10.5896 10.5920 10.6195 10.6219 10.8151 10.8203 k = 0.0000 0.1573 0.9390 ( 6781 PWs) bands (ev): -20.1104 -20.1104 -20.0684 -20.0683 -17.7878 -17.7863 -17.7584 -17.7578 -17.2611 -17.2587 -17.1904 -17.1890 -17.0904 -17.0899 -16.9582 -16.9580 -7.9190 -7.9186 -7.3162 -7.3155 -6.6536 -6.6514 -6.1316 -6.1307 -5.1730 -5.1667 -5.1057 -5.1008 -4.9063 -4.9056 -4.7930 -4.7916 -2.5557 -2.5536 -2.5053 -2.5015 -2.4317 -2.4273 -2.2255 -2.2221 -1.9216 -1.9160 -1.8101 -1.8090 -1.6691 -1.6604 -1.6134 -1.6055 -1.5400 -1.5397 -1.2152 -1.2138 -0.2476 -0.2452 -0.1728 -0.1708 -0.0144 -0.0078 0.1571 0.1642 0.2511 0.2522 0.7893 0.7909 8.6372 8.6373 9.1731 9.1733 9.5757 9.5759 10.5911 10.5940 10.6275 10.6304 10.8274 10.8336 k = 0.0000 0.1835 0.9390 ( 6783 PWs) bands (ev): -20.1089 -20.1088 -20.0686 -20.0685 -17.7868 -17.7851 -17.7580 -17.7572 -17.2642 -17.2615 -17.1889 -17.1874 -17.0935 -17.0929 -16.9587 -16.9585 -7.9043 -7.9038 -7.3238 -7.3231 -6.6443 -6.6417 -6.1444 -6.1433 -5.1721 -5.1652 -5.1027 -5.0975 -4.9076 -4.9067 -4.7913 -4.7896 -2.5586 -2.5561 -2.5065 -2.5019 -2.4406 -2.4355 -2.2366 -2.2328 -1.9100 -1.9036 -1.7979 -1.7967 -1.6688 -1.6599 -1.6060 -1.5981 -1.5414 -1.5410 -1.2155 -1.2139 -0.2495 -0.2467 -0.1769 -0.1747 -0.0187 -0.0121 0.1672 0.1745 0.2324 0.2336 0.7796 0.7814 8.6546 8.6548 9.1999 9.2002 9.5785 9.5787 10.5918 10.5950 10.6368 10.6402 10.8404 10.8474 k = 0.0000 0.2097 0.9390 ( 6785 PWs) bands (ev): -20.1072 -20.1071 -20.0688 -20.0687 -17.7857 -17.7838 -17.7574 -17.7565 -17.2675 -17.2646 -17.1873 -17.1857 -17.0970 -17.0963 -16.9593 -16.9591 -7.8876 -7.8870 -7.3332 -7.3324 -6.6329 -6.6300 -6.1589 -6.1577 -5.1708 -5.1635 -5.0996 -5.0943 -4.9091 -4.9079 -4.7895 -4.7876 -2.5618 -2.5590 -2.5089 -2.5036 -2.4480 -2.4423 -2.2482 -2.2440 -1.8989 -1.8918 -1.7855 -1.7841 -1.6672 -1.6583 -1.5977 -1.5899 -1.5430 -1.5424 -1.2158 -1.2140 -0.2514 -0.2482 -0.1828 -0.1803 -0.0202 -0.0137 0.1762 0.1838 0.2121 0.2133 0.7689 0.7708 8.6745 8.6747 9.2304 9.2307 9.5817 9.5820 10.5906 10.5940 10.6472 10.6510 10.8525 10.8601 k = 0.0000 0.2359 0.9390 ( 6789 PWs) bands (ev): -20.1053 -20.1052 -20.0692 -20.0691 -17.7845 -17.7822 -17.7567 -17.7556 -17.2711 -17.2680 -17.1857 -17.1841 -17.1009 -17.1001 -16.9600 -16.9597 -7.8689 -7.8682 -7.3446 -7.3437 -6.6193 -6.6162 -6.1752 -6.1738 -5.1692 -5.1615 -5.0965 -5.0911 -4.9106 -4.9092 -4.7875 -4.7854 -2.5654 -2.5624 -2.5129 -2.5070 -2.4530 -2.4471 -2.2602 -2.2556 -1.8887 -1.8810 -1.7739 -1.7721 -1.6638 -1.6553 -1.5885 -1.5810 -1.5448 -1.5440 -1.2160 -1.2141 -0.2533 -0.2497 -0.1902 -0.1875 -0.0190 -0.0126 0.1794 0.1859 0.1946 0.1976 0.7574 0.7595 8.6966 8.6969 9.2642 9.2646 9.5854 9.5856 10.5859 10.5895 10.6584 10.6628 10.8618 10.8696 k = 0.0000 0.2621 0.9390 ( 6790 PWs) bands (ev): -20.1033 -20.1032 -20.0696 -20.0695 -17.7831 -17.7806 -17.7558 -17.7545 -17.2749 -17.2716 -17.1840 -17.1824 -17.1050 -17.1042 -16.9607 -16.9604 -7.8483 -7.8476 -7.3580 -7.3571 -6.6035 -6.6001 -6.1929 -6.1915 -5.1673 -5.1593 -5.0935 -5.0881 -4.9121 -4.9105 -4.7855 -4.7832 -2.5694 -2.5662 -2.5182 -2.5121 -2.4554 -2.4495 -2.2722 -2.2673 -1.8797 -1.8714 -1.7641 -1.7616 -1.6578 -1.6499 -1.5786 -1.5714 -1.5467 -1.5457 -1.2161 -1.2141 -0.2554 -0.2511 -0.1986 -0.1960 -0.0151 -0.0089 0.1611 0.1647 0.1964 0.2024 0.7454 0.7476 8.7209 8.7212 9.3012 9.3016 9.5894 9.5897 10.5755 10.5791 10.6702 10.6752 10.8660 10.8733 k = 0.0000 0.2883 0.9390 ( 6796 PWs) bands (ev): -20.1011 -20.1010 -20.0702 -20.0700 -17.7816 -17.7788 -17.7546 -17.7532 -17.2788 -17.2753 -17.1824 -17.1808 -17.1093 -17.1085 -16.9615 -16.9612 -7.8260 -7.8252 -7.3736 -7.3727 -6.5853 -6.5817 -6.2122 -6.2106 -5.1653 -5.1571 -5.0906 -5.0853 -4.9136 -4.9117 -4.7836 -4.7811 -2.5739 -2.5705 -2.5244 -2.5183 -2.4554 -2.4498 -2.2843 -2.2790 -1.8719 -1.8632 -1.7571 -1.7535 -1.6488 -1.6418 -1.5681 -1.5615 -1.5485 -1.5474 -1.2161 -1.2139 -0.2575 -0.2525 -0.2076 -0.2051 -0.0090 -0.0030 0.1364 0.1399 0.2023 0.2087 0.7330 0.7354 8.7471 8.7474 9.3411 9.3415 9.5940 9.5943 10.5558 10.5590 10.6824 10.6880 10.8636 10.8694 k = 0.0000 0.3145 0.9390 ( 6790 PWs) bands (ev): -20.0989 -20.0987 -20.0709 -20.0707 -17.7801 -17.7770 -17.7531 -17.7515 -17.2828 -17.2792 -17.1807 -17.1791 -17.1139 -17.1131 -16.9623 -16.9619 -7.8021 -7.8012 -7.3915 -7.3905 -6.5649 -6.5609 -6.2327 -6.2311 -5.1633 -5.1549 -5.0877 -5.0827 -4.9150 -4.9128 -4.7817 -4.7790 -2.5787 -2.5754 -2.5309 -2.5247 -2.4536 -2.4483 -2.2961 -2.2905 -1.8654 -1.8564 -1.7532 -1.7485 -1.6369 -1.6308 -1.5578 -1.5534 -1.5487 -1.5479 -1.2159 -1.2136 -0.2600 -0.2538 -0.2166 -0.2139 -0.0010 0.0048 0.1106 0.1143 0.2073 0.2138 0.7207 0.7231 8.7751 8.7754 9.3833 9.3838 9.5992 9.5995 10.5227 10.5254 10.6945 10.7008 10.8559 10.8596 k = 0.0000 0.3407 0.9390 ( 6792 PWs) bands (ev): -20.0965 -20.0964 -20.0717 -20.0716 -17.7784 -17.7750 -17.7513 -17.7495 -17.2869 -17.2832 -17.1791 -17.1776 -17.1186 -17.1178 -16.9631 -16.9627 -7.7767 -7.7758 -7.4116 -7.4107 -6.5421 -6.5380 -6.2545 -6.2528 -5.1614 -5.1529 -5.0850 -5.0802 -4.9163 -4.9138 -4.7799 -4.7771 -2.5839 -2.5806 -2.5370 -2.5307 -2.4506 -2.4455 -2.3078 -2.3018 -1.8600 -1.8508 -1.7523 -1.7466 -1.6228 -1.6175 -1.5545 -1.5525 -1.5436 -1.5389 -1.2154 -1.2132 -0.2628 -0.2553 -0.2253 -0.2218 0.0082 0.0140 0.0846 0.0888 0.2110 0.2175 0.7086 0.7110 8.8045 8.8049 9.4274 9.4279 9.6053 9.6056 10.4736 10.4756 10.7063 10.7130 10.8470 10.8498 k = 0.0000 0.3669 0.9390 ( 6783 PWs) bands (ev): -20.0941 -20.0939 -20.0727 -20.0726 -17.7766 -17.7730 -17.7491 -17.7472 -17.2911 -17.2872 -17.1775 -17.1760 -17.1235 -17.1226 -16.9639 -16.9636 -7.7500 -7.7490 -7.4340 -7.4330 -6.5173 -6.5130 -6.2771 -6.2754 -5.1599 -5.1513 -5.0824 -5.0777 -4.9175 -4.9147 -4.7784 -4.7754 -2.5894 -2.5862 -2.5422 -2.5358 -2.4467 -2.4417 -2.3190 -2.3127 -1.8558 -1.8464 -1.7539 -1.7473 -1.6078 -1.6028 -1.5563 -1.5530 -1.5328 -1.5281 -1.2147 -1.2125 -0.2663 -0.2573 -0.2327 -0.2280 0.0177 0.0238 0.0592 0.0649 0.2132 0.2196 0.6970 0.6994 8.8351 8.8355 9.4722 9.4727 9.6131 9.6134 10.4088 10.4103 10.7173 10.7243 10.8411 10.8449 k = 0.0000 0.3931 0.9390 ( 6787 PWs) bands (ev): -20.0917 -20.0915 -20.0739 -20.0738 -17.7748 -17.7710 -17.7464 -17.7444 -17.2953 -17.2913 -17.1760 -17.1745 -17.1284 -17.1275 -16.9648 -16.9644 -7.7221 -7.7211 -7.4585 -7.4576 -6.4907 -6.4861 -6.3004 -6.2987 -5.1590 -5.1504 -5.0797 -5.0752 -4.9186 -4.9154 -4.7771 -4.7740 -2.5949 -2.5918 -2.5465 -2.5399 -2.4421 -2.4371 -2.3298 -2.3232 -1.8525 -1.8431 -1.7576 -1.7503 -1.5939 -1.5882 -1.5579 -1.5525 -1.5215 -1.5173 -1.2137 -1.2115 -0.2703 -0.2605 -0.2377 -0.2322 0.0198 0.0287 0.0405 0.0503 0.2137 0.2200 0.6862 0.6885 8.8664 8.8669 9.5153 9.5158 9.6243 9.6247 10.3320 10.3331 10.7274 10.7344 10.8408 10.8456 k = 0.0000 0.4193 0.9390 ( 6782 PWs) bands (ev): -20.0892 -20.0890 -20.0754 -20.0752 -17.7729 -17.7689 -17.7432 -17.7411 -17.2995 -17.2955 -17.1746 -17.1731 -17.1333 -17.1324 -16.9656 -16.9653 -7.6934 -7.6923 -7.4852 -7.4842 -6.4629 -6.4579 -6.3238 -6.3221 -5.1589 -5.1502 -5.0770 -5.0726 -4.9195 -4.9159 -4.7761 -4.7729 -2.6003 -2.5972 -2.5497 -2.5429 -2.4372 -2.4319 -2.3401 -2.3331 -1.8501 -1.8406 -1.7630 -1.7551 -1.5839 -1.5764 -1.5568 -1.5485 -1.5104 -1.5066 -1.2125 -1.2103 -0.2747 -0.2650 -0.2397 -0.2344 0.0033 0.0094 0.0487 0.0559 0.2124 0.2185 0.6764 0.6786 8.8979 8.8983 9.5519 9.5525 9.6436 9.6439 10.2476 10.2485 10.7364 10.7431 10.8456 10.8510 k = 0.0000 0.4456 0.9390 ( 6771 PWs) bands (ev): -20.0868 -20.0866 -20.0770 -20.0768 -17.7709 -17.7668 -17.7395 -17.7373 -17.3038 -17.2996 -17.1732 -17.1718 -17.1381 -17.1373 -16.9664 -16.9661 -7.6641 -7.6630 -7.5137 -7.5127 -6.4357 -6.4300 -6.3455 -6.3439 -5.1597 -5.1511 -5.0743 -5.0700 -4.9202 -4.9162 -4.7755 -4.7722 -2.6052 -2.6021 -2.5517 -2.5448 -2.4321 -2.4265 -2.3496 -2.3422 -1.8484 -1.8389 -1.7699 -1.7615 -1.5798 -1.5722 -1.5487 -1.5396 -1.4997 -1.4962 -1.2109 -1.2088 -0.2792 -0.2703 -0.2390 -0.2345 -0.0179 -0.0122 0.0620 0.0684 0.2093 0.2153 0.6678 0.6698 8.9287 8.9291 9.5763 9.5768 9.6758 9.6762 10.1600 10.1608 10.7443 10.7506 10.8540 10.8596 k = 0.0000 0.4718 0.9390 ( 6775 PWs) bands (ev): -20.0846 -20.0843 -20.0788 -20.0786 -17.7688 -17.7646 -17.7352 -17.7331 -17.3080 -17.3038 -17.1718 -17.1705 -17.1429 -17.1421 -16.9672 -16.9669 -7.6346 -7.6335 -7.5438 -7.5427 -6.4167 -6.4099 -6.3584 -6.3560 -5.1616 -5.1530 -5.0716 -5.0672 -4.9206 -4.9163 -4.7753 -4.7720 -2.6094 -2.6064 -2.5526 -2.5456 -2.4273 -2.4211 -2.3580 -2.3502 -1.8473 -1.8379 -1.7781 -1.7693 -1.5798 -1.5732 -1.5364 -1.5279 -1.4897 -1.4863 -1.2090 -1.2071 -0.2837 -0.2756 -0.2361 -0.2325 -0.0380 -0.0322 0.0764 0.0825 0.2045 0.2102 0.6606 0.6624 8.9577 8.9581 9.5896 9.5901 9.7186 9.7191 10.0731 10.0738 10.7511 10.7568 10.8645 10.8699 k = 0.0000 0.4980 0.9390 ( 6772 PWs) bands (ev): -20.0827 -20.0824 -20.0805 -20.0803 -17.7665 -17.7623 -17.7305 -17.7284 -17.3123 -17.3079 -17.1706 -17.1694 -17.1476 -17.1468 -16.9680 -16.9676 -7.6076 -7.6066 -7.5731 -7.5718 -6.4219 -6.4160 -6.3448 -6.3416 -5.1645 -5.1561 -5.0691 -5.0645 -4.9208 -4.9161 -4.7756 -4.7723 -2.6129 -2.6098 -2.5524 -2.5452 -2.4232 -2.4163 -2.3648 -2.3565 -1.8468 -1.8375 -1.7875 -1.7783 -1.5818 -1.5757 -1.5240 -1.5159 -1.4804 -1.4771 -1.2070 -1.2052 -0.2880 -0.2803 -0.2314 -0.2281 -0.0559 -0.0498 0.0914 0.0975 0.1981 0.2034 0.6547 0.6564 8.9833 8.9837 9.5969 9.5974 9.7641 9.7646 9.9928 9.9934 10.7568 10.7619 10.8756 10.8810 k = 0.0000 0.5242 0.9390 ( 6772 PWs) bands (ev): -20.0838 -20.0835 -20.0797 -20.0795 -17.7641 -17.7599 -17.7252 -17.7231 -17.3164 -17.3120 -17.1695 -17.1683 -17.1520 -17.1513 -16.9687 -16.9684 -7.6155 -7.6150 -7.5691 -7.5674 -6.4422 -6.4370 -6.3147 -6.3111 -5.1685 -5.1602 -5.0667 -5.0620 -4.9208 -4.9157 -4.7765 -4.7731 -2.6154 -2.6122 -2.5510 -2.5438 -2.4206 -2.4132 -2.3687 -2.3603 -1.8470 -1.8379 -1.7980 -1.7884 -1.5845 -1.5787 -1.5125 -1.5047 -1.4721 -1.4687 -1.2049 -1.2032 -0.2919 -0.2842 -0.2247 -0.2214 -0.0712 -0.0649 0.1065 0.1127 0.1906 0.1953 0.6503 0.6518 9.0034 9.0037 9.6010 9.6014 9.7973 9.7979 9.9337 9.9342 10.7614 10.7660 10.8865 10.8916 k = 0.0000 0.5504 0.9390 ( 6775 PWs) bands (ev): -20.0863 -20.0861 -20.0778 -20.0776 -17.7614 -17.7572 -17.7194 -17.7174 -17.3206 -17.3161 -17.1684 -17.1674 -17.1563 -17.1555 -16.9694 -16.9690 -7.6495 -7.6487 -7.5413 -7.5396 -6.4659 -6.4609 -6.2800 -6.2760 -5.1736 -5.1654 -5.0649 -5.0599 -4.9205 -4.9151 -4.7779 -4.7745 -2.6169 -2.6135 -2.5485 -2.5413 -2.4204 -2.4129 -2.3686 -2.3608 -1.8478 -1.8393 -1.8092 -1.7992 -1.5877 -1.5819 -1.5023 -1.4946 -1.4649 -1.4614 -1.2028 -1.2012 -0.2951 -0.2873 -0.2159 -0.2122 -0.0836 -0.0771 0.1209 0.1276 0.1830 0.1867 0.6474 0.6486 9.0148 9.0150 9.6030 9.6034 9.7840 9.7846 9.9324 9.9329 10.7651 10.7692 10.8960 10.9010 k = 0.0000 0.5504 0.9390 ( 6775 PWs) bands (ev): -20.0863 -20.0861 -20.0778 -20.0776 -17.7614 -17.7572 -17.7194 -17.7174 -17.3206 -17.3161 -17.1684 -17.1674 -17.1563 -17.1555 -16.9694 -16.9690 -7.6495 -7.6487 -7.5413 -7.5396 -6.4659 -6.4609 -6.2800 -6.2760 -5.1736 -5.1654 -5.0649 -5.0599 -4.9205 -4.9151 -4.7779 -4.7745 -2.6169 -2.6135 -2.5485 -2.5413 -2.4204 -2.4129 -2.3686 -2.3608 -1.8478 -1.8393 -1.8092 -1.7992 -1.5877 -1.5819 -1.5023 -1.4946 -1.4649 -1.4614 -1.2028 -1.2012 -0.2951 -0.2873 -0.2159 -0.2122 -0.0836 -0.0771 0.1209 0.1276 0.1830 0.1867 0.6474 0.6486 9.0148 9.0150 9.6030 9.6034 9.7840 9.7846 9.9324 9.9329 10.7651 10.7692 10.8960 10.9010 k = 0.0000 0.5632 0.9169 ( 6775 PWs) bands (ev): -20.0882 -20.0880 -20.0759 -20.0756 -17.7620 -17.7578 -17.7233 -17.7212 -17.3172 -17.3127 -17.1701 -17.1685 -17.1532 -17.1528 -16.9692 -16.9688 -7.6801 -7.6795 -7.5201 -7.5182 -6.4682 -6.4638 -6.2682 -6.2638 -5.1770 -5.1686 -5.0583 -5.0530 -4.9235 -4.9179 -4.7810 -4.7776 -2.6151 -2.6117 -2.5419 -2.5345 -2.4176 -2.4103 -2.3741 -2.3657 -1.8538 -1.8451 -1.8189 -1.8091 -1.5925 -1.5870 -1.4980 -1.4894 -1.4658 -1.4619 -1.2001 -1.1985 -0.2960 -0.2880 -0.1964 -0.1931 -0.0872 -0.0808 0.1291 0.1353 0.1743 0.1790 0.6519 0.6528 9.0180 9.0181 9.5998 9.6002 9.7800 9.7805 9.9338 9.9341 10.7637 10.7676 10.9055 10.9102 k = 0.0000 0.5760 0.8948 ( 6767 PWs) bands (ev): -20.0905 -20.0903 -20.0739 -20.0736 -17.7623 -17.7582 -17.7266 -17.7245 -17.3137 -17.3092 -17.1720 -17.1699 -17.1501 -17.1496 -16.9690 -16.9686 -7.7146 -7.7141 -7.4974 -7.4953 -6.4771 -6.4732 -6.2479 -6.2432 -5.1806 -5.1719 -5.0525 -5.0470 -4.9266 -4.9207 -4.7846 -4.7811 -2.6126 -2.6092 -2.5347 -2.5271 -2.4142 -2.4071 -2.3787 -2.3697 -1.8611 -1.8522 -1.8291 -1.8197 -1.5971 -1.5921 -1.4947 -1.4852 -1.4680 -1.4636 -1.1976 -1.1961 -0.2945 -0.2863 -0.1743 -0.1712 -0.0900 -0.0836 0.1284 0.1326 0.1744 0.1801 0.6579 0.6587 9.0131 9.0132 9.5945 9.5949 9.7368 9.7373 9.9843 9.9843 10.7626 10.7666 10.9119 10.9165 k = 0.0000 0.5888 0.8727 ( 6771 PWs) bands (ev): -20.0930 -20.0928 -20.0720 -20.0718 -17.7625 -17.7585 -17.7294 -17.7273 -17.3101 -17.3056 -17.1740 -17.1716 -17.1467 -17.1461 -16.9687 -16.9683 -7.7500 -7.7494 -7.4762 -7.4740 -6.4891 -6.4854 -6.2227 -6.2178 -5.1842 -5.1754 -5.0479 -5.0422 -4.9294 -4.9232 -4.7886 -4.7849 -2.6094 -2.6060 -2.5271 -2.5193 -2.4103 -2.4037 -2.3820 -2.3725 -1.8697 -1.8606 -1.8397 -1.8310 -1.6015 -1.5969 -1.4927 -1.4821 -1.4711 -1.4660 -1.1956 -1.1941 -0.2905 -0.2823 -0.1507 -0.1475 -0.0913 -0.0848 0.1202 0.1230 0.1806 0.1872 0.6657 0.6663 9.0023 9.0026 9.5867 9.5871 9.6828 9.6832 10.0534 10.0535 10.7618 10.7659 10.9155 10.9200 k = 0.0000 0.6016 0.8505 ( 6765 PWs) bands (ev): -20.0956 -20.0954 -20.0704 -20.0701 -17.7625 -17.7587 -17.7318 -17.7297 -17.3064 -17.3018 -17.1761 -17.1735 -17.1431 -17.1425 -16.9684 -16.9680 -7.7851 -7.7845 -7.4574 -7.4552 -6.5016 -6.4981 -6.1950 -6.1901 -5.1878 -5.1789 -5.0445 -5.0387 -4.9318 -4.9253 -4.7929 -4.7892 -2.6056 -2.6021 -2.5190 -2.5111 -2.4067 -2.4011 -2.3832 -2.3735 -1.8793 -1.8701 -1.8508 -1.8430 -1.6057 -1.6016 -1.4919 -1.4805 -1.4745 -1.4688 -1.1939 -1.1925 -0.2842 -0.2759 -0.1281 -0.1246 -0.0890 -0.0827 0.1088 0.1113 0.1881 0.1953 0.6750 0.6757 8.9877 8.9879 9.5745 9.5750 9.6300 9.6302 10.1292 10.1295 10.7606 10.7651 10.9163 10.9210 k = 0.0000 0.6144 0.8284 ( 6776 PWs) bands (ev): -20.0982 -20.0981 -20.0690 -20.0687 -17.7625 -17.7588 -17.7337 -17.7316 -17.3026 -17.2980 -17.1783 -17.1756 -17.1395 -17.1388 -16.9681 -16.9677 -7.8195 -7.8188 -7.4415 -7.4393 -6.5133 -6.5099 -6.1665 -6.1616 -5.1913 -5.1823 -5.0426 -5.0367 -4.9334 -4.9268 -4.7976 -4.7937 -2.6012 -2.5977 -2.5107 -2.5026 -2.4043 -2.4004 -2.3808 -2.3718 -1.8901 -1.8808 -1.8624 -1.8556 -1.6096 -1.6060 -1.4924 -1.4820 -1.4766 -1.4719 -1.1926 -1.1913 -0.2756 -0.2673 -0.1131 -0.1102 -0.0758 -0.0713 0.0967 0.0992 0.1949 0.2025 0.6860 0.6867 8.9704 8.9708 9.5469 9.5475 9.5921 9.5922 10.2071 10.2075 10.7589 10.7639 10.9146 10.9195 k = 0.0000 0.6272 0.8063 ( 6776 PWs) bands (ev): -20.1009 -20.1008 -20.0678 -20.0675 -17.7625 -17.7589 -17.7352 -17.7332 -17.2987 -17.2942 -17.1807 -17.1778 -17.1357 -17.1350 -16.9677 -16.9674 -7.8527 -7.8521 -7.4285 -7.4263 -6.5232 -6.5199 -6.1378 -6.1330 -5.1945 -5.1854 -5.0424 -5.0365 -4.9341 -4.9273 -4.8025 -4.7985 -2.5964 -2.5929 -2.5022 -2.4940 -2.4041 -2.4008 -2.3752 -2.3672 -1.9019 -1.8924 -1.8745 -1.8689 -1.6133 -1.6102 -1.4940 -1.4862 -1.4773 -1.4751 -1.1915 -1.1903 -0.2651 -0.2569 -0.1086 -0.1056 -0.0510 -0.0482 0.0847 0.0876 0.2001 0.2080 0.6984 0.6992 8.9518 8.9521 9.4998 9.5004 9.5747 9.5749 10.2840 10.2846 10.7562 10.7619 10.9102 10.9155 k = 0.0000 0.6401 0.7842 ( 6773 PWs) bands (ev): -20.1036 -20.1035 -20.0667 -20.0665 -17.7624 -17.7591 -17.7363 -17.7343 -17.2948 -17.2902 -17.1831 -17.1801 -17.1320 -17.1313 -16.9674 -16.9671 -7.8847 -7.8841 -7.4185 -7.4162 -6.5311 -6.5279 -6.1097 -6.1049 -5.1973 -5.1882 -5.0438 -5.0381 -4.9337 -4.9270 -4.8076 -4.8035 -2.5912 -2.5876 -2.4937 -2.4855 -2.4055 -2.4016 -2.3672 -2.3600 -1.9145 -1.9048 -1.8872 -1.8828 -1.6167 -1.6141 -1.4965 -1.4911 -1.4786 -1.4780 -1.1907 -1.1896 -0.2528 -0.2447 -0.1077 -0.1045 -0.0226 -0.0199 0.0731 0.0769 0.2035 0.2117 0.7121 0.7129 8.9324 8.9328 9.4488 9.4492 9.5630 9.5632 10.3577 10.3584 10.7519 10.7586 10.9028 10.9082 k = 0.0000 0.6529 0.7621 ( 6781 PWs) bands (ev): -20.1063 -20.1062 -20.0659 -20.0657 -17.7623 -17.7592 -17.7370 -17.7352 -17.2908 -17.2862 -17.1857 -17.1826 -17.1283 -17.1275 -16.9670 -16.9667 -7.9152 -7.9146 -7.4112 -7.4090 -6.5367 -6.5336 -6.0825 -6.0779 -5.1997 -5.1906 -5.0469 -5.0413 -4.9323 -4.9256 -4.8130 -4.8086 -2.5858 -2.5822 -2.4853 -2.4770 -2.4074 -2.4026 -2.3575 -2.3507 -1.9279 -1.9179 -1.9005 -1.8973 -1.6200 -1.6177 -1.4996 -1.4961 -1.4819 -1.4797 -1.1901 -1.1892 -0.2390 -0.2312 -0.1076 -0.1044 0.0055 0.0095 0.0627 0.0682 0.2051 0.2135 0.7269 0.7277 8.9130 8.9134 9.3988 9.3992 9.5526 9.5528 10.4258 10.4267 10.7454 10.7533 10.8910 10.8956 k = 0.0000 0.6657 0.7400 ( 6786 PWs) bands (ev): -20.1088 -20.1088 -20.0652 -20.0650 -17.7622 -17.7594 -17.7374 -17.7357 -17.2867 -17.2822 -17.1884 -17.1851 -17.1246 -17.1239 -16.9667 -16.9664 -7.9440 -7.9434 -7.4065 -7.4044 -6.5402 -6.5373 -6.0564 -6.0520 -5.2015 -5.1924 -5.0514 -5.0461 -4.9300 -4.9235 -4.8184 -4.8139 -2.5803 -2.5767 -2.4770 -2.4687 -2.4092 -2.4037 -2.3463 -2.3399 -1.9418 -1.9317 -1.9146 -1.9124 -1.6230 -1.6211 -1.5031 -1.5008 -1.4853 -1.4819 -1.1897 -1.1889 -0.2242 -0.2167 -0.1074 -0.1043 0.0275 0.0349 0.0571 0.0663 0.2049 0.2135 0.7423 0.7432 8.8939 8.8943 9.3512 9.3515 9.5426 9.5428 10.4866 10.4876 10.7358 10.7450 10.8733 10.8749 k = 0.0000 0.6785 0.7179 ( 6785 PWs) bands (ev): -20.1113 -20.1112 -20.0646 -20.0644 -17.7621 -17.7596 -17.7375 -17.7360 -17.2826 -17.2781 -17.1911 -17.1878 -17.1210 -17.1204 -16.9663 -16.9660 -7.9709 -7.9704 -7.4040 -7.4020 -6.5417 -6.5390 -6.0318 -6.0276 -5.2026 -5.1936 -5.0573 -5.0522 -4.9271 -4.9206 -4.8239 -4.8192 -2.5748 -2.5712 -2.4690 -2.4608 -2.4107 -2.4047 -2.3337 -2.3276 -1.9561 -1.9458 -1.9295 -1.9280 -1.6257 -1.6241 -1.5070 -1.5050 -1.4889 -1.4844 -1.1894 -1.1887 -0.2087 -0.2017 -0.1069 -0.1040 0.0323 0.0369 0.0751 0.0818 0.2033 0.2120 0.7581 0.7589 8.8755 8.8759 9.3063 9.3066 9.5330 9.5332 10.5385 10.5397 10.7221 10.7322 10.8492 10.8523 k = 0.0000 0.6913 0.6958 ( 6782 PWs) bands (ev): -20.1137 -20.1136 -20.0642 -20.0640 -17.7621 -17.7598 -17.7375 -17.7362 -17.2785 -17.2740 -17.1940 -17.1906 -17.1176 -17.1170 -16.9659 -16.9657 -7.9960 -7.9955 -7.4034 -7.4016 -6.5415 -6.5390 -6.0088 -6.0048 -5.2030 -5.1941 -5.0643 -5.0593 -4.9236 -4.9172 -4.8294 -4.8246 -2.5693 -2.5658 -2.4613 -2.4534 -2.4118 -2.4054 -2.3200 -2.3142 -1.9705 -1.9602 -1.9451 -1.9439 -1.6283 -1.6269 -1.5110 -1.5086 -1.4924 -1.4873 -1.1893 -1.1886 -0.1929 -0.1865 -0.1059 -0.1032 0.0271 0.0293 0.1023 0.1069 0.2002 0.2092 0.7739 0.7747 8.8581 8.8584 9.2646 9.2648 9.5237 9.5239 10.5807 10.5822 10.7036 10.7138 10.8268 10.8318 k = 0.0000 0.7041 0.6736 ( 6774 PWs) bands (ev): -20.1159 -20.1158 -20.0639 -20.0637 -17.7620 -17.7600 -17.7373 -17.7361 -17.2743 -17.2699 -17.1969 -17.1934 -17.1144 -17.1138 -16.9656 -16.9653 -8.0190 -8.0185 -7.4043 -7.4026 -6.5400 -6.5377 -5.9876 -5.9838 -5.2026 -5.1938 -5.0721 -5.0671 -4.9198 -4.9135 -4.8349 -4.8299 -2.5641 -2.5607 -2.4541 -2.4465 -2.4122 -2.4058 -2.3053 -2.2997 -1.9848 -1.9747 -1.9616 -1.9603 -1.6305 -1.6294 -1.5148 -1.5119 -1.4959 -1.4903 -1.1891 -1.1885 -0.1773 -0.1719 -0.1046 -0.1017 0.0203 0.0218 0.1285 0.1328 0.1962 0.2056 0.7894 0.7902 8.8418 8.8422 9.2262 9.2264 9.5150 9.5152 10.6136 10.6152 10.6809 10.6902 10.8100 10.8150 k = 0.0000 0.7169 0.6515 ( 6766 PWs) bands (ev): -20.1179 -20.1178 -20.0636 -20.0635 -17.7619 -17.7602 -17.7370 -17.7360 -17.2702 -17.2659 -17.1998 -17.1963 -17.1114 -17.1109 -16.9653 -16.9650 -8.0398 -8.0394 -7.4063 -7.4047 -6.5375 -6.5354 -5.9682 -5.9647 -5.2014 -5.1927 -5.0805 -5.0756 -4.9157 -4.9094 -4.8404 -4.8352 -2.5593 -2.5560 -2.4474 -2.4406 -2.4120 -2.4055 -2.2896 -2.2843 -1.9987 -1.9889 -1.9787 -1.9771 -1.6326 -1.6316 -1.5183 -1.5148 -1.4993 -1.4933 -1.1891 -1.1885 -0.1624 -0.1582 -0.1027 -0.0992 0.0137 0.0151 0.1516 0.1568 0.1922 0.2023 0.8042 0.8049 8.8269 8.8272 9.1913 9.1915 9.5069 9.5071 10.6379 10.6397 10.6559 10.6637 10.7978 10.8021 k = 0.0000 0.7297 0.6294 ( 6774 PWs) bands (ev): -20.1197 -20.1197 -20.0635 -20.0633 -17.7619 -17.7604 -17.7366 -17.7358 -17.2662 -17.2619 -17.2028 -17.1993 -17.1087 -17.1082 -16.9650 -16.9648 -8.0584 -8.0580 -7.4090 -7.4076 -6.5344 -6.5325 -5.9508 -5.9476 -5.1993 -5.1908 -5.0894 -5.0844 -4.9115 -4.9053 -4.8458 -4.8404 -2.5548 -2.5518 -2.4416 -2.4358 -2.4107 -2.4046 -2.2731 -2.2680 -2.0120 -2.0028 -1.9962 -1.9943 -1.6344 -1.6335 -1.5213 -1.5174 -1.5023 -1.4963 -1.1890 -1.1886 -0.1492 -0.1463 -0.1001 -0.0954 0.0080 0.0095 0.1678 0.1737 0.1928 0.2027 0.8181 0.8187 8.8135 8.8138 9.1602 9.1603 9.4995 9.4996 10.6301 10.6367 10.6554 10.6575 10.7887 10.7920 k = 0.0000 0.7425 0.6073 ( 6765 PWs) bands (ev): -20.1214 -20.1213 -20.0633 -20.0632 -17.7618 -17.7606 -17.7363 -17.7356 -17.2622 -17.2581 -17.2057 -17.2023 -17.1062 -17.1058 -16.9647 -16.9645 -8.0747 -8.0744 -7.4120 -7.4108 -6.5309 -6.5293 -5.9355 -5.9327 -5.1963 -5.1881 -5.0986 -5.0935 -4.9073 -4.9010 -4.8511 -4.8456 -2.5508 -2.5481 -2.4368 -2.4323 -2.4083 -2.4028 -2.2559 -2.2511 -2.0246 -2.0161 -2.0139 -2.0118 -1.6360 -1.6351 -1.5237 -1.5198 -1.5050 -1.4992 -1.1890 -1.1886 -0.1384 -0.1364 -0.0966 -0.0906 0.0037 0.0053 0.1707 0.1748 0.2072 0.2123 0.8307 0.8312 8.8017 8.8019 9.1329 9.1330 9.4928 9.4930 10.6060 10.6113 10.6674 10.6694 10.7814 10.7838 k = 0.0000 0.7553 0.5852 ( 6764 PWs) bands (ev): -20.1228 -20.1227 -20.0633 -20.0632 -17.7617 -17.7607 -17.7359 -17.7353 -17.2584 -17.2545 -17.2086 -17.2053 -17.1041 -17.1037 -16.9645 -16.9643 -8.0886 -8.0883 -7.4151 -7.4141 -6.5275 -6.5261 -5.9224 -5.9200 -5.1924 -5.1846 -5.1078 -5.1026 -4.9030 -4.8967 -4.8563 -4.8506 -2.5474 -2.5450 -2.4332 -2.4302 -2.4051 -2.4002 -2.2383 -2.2337 -2.0370 -2.0311 -2.0308 -2.0268 -1.6373 -1.6366 -1.5257 -1.5219 -1.5072 -1.5019 -1.1890 -1.1887 -0.1307 -0.1285 -0.0920 -0.0852 0.0011 0.0027 0.1660 0.1701 0.2243 0.2269 0.8418 0.8423 8.7915 8.7917 9.1096 9.1097 9.4870 9.4872 10.5843 10.5884 10.6754 10.6774 10.7755 10.7772 k = 0.0000 0.7681 0.5631 ( 6764 PWs) bands (ev): -20.1239 -20.1239 -20.0632 -20.0631 -17.7617 -17.7609 -17.7356 -17.7351 -17.2548 -17.2512 -17.2113 -17.2082 -17.1023 -17.1020 -16.9643 -16.9641 -8.1000 -8.0998 -7.4180 -7.4172 -6.5242 -6.5232 -5.9116 -5.9096 -5.1878 -5.1804 -5.1169 -5.1116 -4.8987 -4.8924 -4.8613 -4.8555 -2.5445 -2.5425 -2.4308 -2.4289 -2.4013 -2.3973 -2.2204 -2.2161 -2.0525 -2.0487 -2.0431 -2.0377 -1.6383 -1.6377 -1.5272 -1.5237 -1.5090 -1.5043 -1.1890 -1.1888 -0.1254 -0.1229 -0.0869 -0.0803 0.0002 0.0017 0.1599 0.1639 0.2392 0.2407 0.8512 0.8516 8.7831 8.7833 9.0904 9.0904 9.4822 9.4823 10.5657 10.5689 10.6807 10.6825 10.7705 10.7718 k = 0.0000 0.7810 0.5410 ( 6754 PWs) bands (ev): -20.1249 -20.1248 -20.0632 -20.0631 -17.7616 -17.7610 -17.7353 -17.7350 -17.2515 -17.2484 -17.2137 -17.2110 -17.1009 -17.1007 -16.9641 -16.9640 -8.1090 -8.1088 -7.4204 -7.4198 -6.5215 -6.5207 -5.9030 -5.9015 -5.1826 -5.1757 -5.1254 -5.1203 -4.8943 -4.8881 -4.8662 -4.8603 -2.5421 -2.5406 -2.4293 -2.4282 -2.3977 -2.3945 -2.2026 -2.1986 -2.0700 -2.0666 -2.0511 -2.0466 -1.6391 -1.6387 -1.5282 -1.5253 -1.5101 -1.5064 -1.1890 -1.1888 -0.1217 -0.1194 -0.0822 -0.0766 0.0008 0.0022 0.1542 0.1576 0.2512 0.2521 0.8587 0.8590 8.7766 8.7767 9.0753 9.0754 9.4784 9.4785 10.5509 10.5532 10.6841 10.6855 10.7666 10.7675 k = 0.0000 0.7938 0.5189 ( 6758 PWs) bands (ev): -20.1255 -20.1255 -20.0631 -20.0631 -17.7615 -17.7611 -17.7351 -17.7348 -17.2486 -17.2463 -17.2155 -17.2134 -17.0998 -17.0997 -16.9640 -16.9639 -8.1154 -8.1152 -7.4223 -7.4219 -6.5193 -6.5188 -5.8968 -5.8958 -5.1770 -5.1712 -5.1330 -5.1283 -4.8900 -4.8840 -4.8707 -4.8649 -2.5404 -2.5393 -2.4284 -2.4278 -2.3945 -2.3923 -2.1857 -2.1822 -2.0867 -2.0836 -2.0567 -2.0535 -1.6396 -1.6393 -1.5287 -1.5267 -1.5107 -1.5081 -1.1890 -1.1889 -0.1191 -0.1174 -0.0784 -0.0745 0.0024 0.0035 0.1496 0.1522 0.2600 0.2605 0.8642 0.8644 8.7719 8.7719 9.0645 9.0645 9.4757 9.4757 10.5402 10.5417 10.6863 10.6872 10.7638 10.7643 k = 0.0000 0.8066 0.4967 ( 6764 PWs) bands (ev): -20.1259 -20.1259 -20.0631 -20.0631 -17.7614 -17.7612 -17.7349 -17.7348 -17.2464 -17.2451 -17.2165 -17.2153 -17.0992 -17.0991 -16.9639 -16.9639 -8.1192 -8.1191 -7.4234 -7.4232 -6.5180 -6.5177 -5.8929 -5.8924 -5.1716 -5.1679 -5.1382 -5.1350 -4.8857 -4.8807 -4.8743 -4.8694 -2.5392 -2.5387 -2.4279 -2.4277 -2.3922 -2.3911 -2.1713 -2.1689 -2.1002 -2.0980 -2.0597 -2.0581 -1.6399 -1.6398 -1.5288 -1.5277 -1.5108 -1.5095 -1.1890 -1.1889 -0.1174 -0.1165 -0.0758 -0.0738 0.0040 0.0046 0.1468 0.1482 0.2653 0.2656 0.8675 0.8676 8.7690 8.7691 9.0580 9.0580 9.4740 9.4740 10.5339 10.5346 10.6875 10.6880 10.7621 10.7624 k = 0.0000 0.8194 0.4746 ( 6768 PWs) bands (ev): -20.1261 -20.1261 -20.0631 -20.0631 -17.7613 -17.7613 -17.7348 -17.7348 -17.2452 -17.2452 -17.2164 -17.2164 -17.0990 -17.0990 -16.9639 -16.9639 -8.1205 -8.1205 -7.4237 -7.4237 -6.5174 -6.5174 -5.8915 -5.8915 -5.1679 -5.1679 -5.1390 -5.1390 -4.8818 -4.8818 -4.8733 -4.8733 -2.5386 -2.5386 -2.4277 -2.4277 -2.3910 -2.3910 -2.1640 -2.1640 -2.1052 -2.1052 -2.0602 -2.0602 -1.6400 -1.6400 -1.5284 -1.5284 -1.5104 -1.5104 -1.1889 -1.1889 -0.1166 -0.1166 -0.0743 -0.0743 0.0049 0.0049 0.1463 0.1463 0.2672 0.2672 0.8687 0.8687 8.7681 8.7681 9.0559 9.0559 9.4735 9.4735 10.5320 10.5320 10.6880 10.6880 10.7616 10.7616 k = 0.0000 0.8194 0.4746 ( 6768 PWs) bands (ev): -20.1261 -20.1261 -20.0631 -20.0631 -17.7613 -17.7613 -17.7348 -17.7348 -17.2452 -17.2452 -17.2164 -17.2164 -17.0990 -17.0990 -16.9639 -16.9639 -8.1205 -8.1205 -7.4237 -7.4237 -6.5174 -6.5174 -5.8915 -5.8915 -5.1679 -5.1679 -5.1390 -5.1390 -4.8818 -4.8818 -4.8733 -4.8733 -2.5386 -2.5386 -2.4277 -2.4277 -2.3910 -2.3910 -2.1640 -2.1640 -2.1052 -2.1052 -2.0602 -2.0602 -1.6400 -1.6400 -1.5284 -1.5284 -1.5104 -1.5104 -1.1889 -1.1889 -0.1166 -0.1166 -0.0743 -0.0743 0.0049 0.0049 0.1463 0.1463 0.2672 0.2672 0.8687 0.8687 8.7681 8.7681 9.0559 9.0559 9.4735 9.4735 10.5320 10.5320 10.6880 10.6880 10.7616 10.7616 k = 0.0263 0.8194 0.4746 ( 6762 PWs) bands (ev): -20.1260 -20.1259 -20.0632 -20.0632 -17.7613 -17.7612 -17.7349 -17.7348 -17.2451 -17.2451 -17.2165 -17.2165 -17.0987 -17.0987 -16.9641 -16.9640 -8.1197 -8.1196 -7.4258 -7.4258 -6.5154 -6.5153 -5.8921 -5.8921 -5.1676 -5.1675 -5.1387 -5.1386 -4.8822 -4.8821 -4.8737 -4.8737 -2.5387 -2.5386 -2.4282 -2.4279 -2.3900 -2.3900 -2.1636 -2.1634 -2.1052 -2.1050 -2.0604 -2.0602 -1.6407 -1.6407 -1.5294 -1.5292 -1.5104 -1.5103 -1.1903 -1.1900 -0.1159 -0.1154 -0.0739 -0.0738 0.0054 0.0059 0.1463 0.1464 0.2677 0.2678 0.8676 0.8676 8.7688 8.7688 9.0570 9.0570 9.4720 9.4720 10.5254 10.5257 10.6903 10.6906 10.7593 10.7599 k = 0.0526 0.8194 0.4746 ( 6752 PWs) bands (ev): -20.1256 -20.1256 -20.0636 -20.0636 -17.7612 -17.7611 -17.7350 -17.7350 -17.2450 -17.2450 -17.2168 -17.2166 -17.0980 -17.0978 -16.9647 -16.9647 -8.1172 -8.1172 -7.4322 -7.4322 -6.5093 -6.5093 -5.8941 -5.8940 -5.1667 -5.1665 -5.1378 -5.1377 -4.8833 -4.8831 -4.8747 -4.8747 -2.5387 -2.5385 -2.4293 -2.4287 -2.3870 -2.3870 -2.1621 -2.1619 -2.1049 -2.1045 -2.0609 -2.0604 -1.6429 -1.6428 -1.5325 -1.5321 -1.5102 -1.5101 -1.1940 -1.1934 -0.1133 -0.1123 -0.0724 -0.0724 0.0076 0.0086 0.1463 0.1464 0.2695 0.2695 0.8642 0.8642 8.7708 8.7709 9.0603 9.0603 9.4678 9.4678 10.5073 10.5077 10.6962 10.6968 10.7537 10.7547 k = 0.0789 0.8194 0.4746 ( 6760 PWs) bands (ev): -20.1251 -20.1251 -20.0641 -20.0641 -17.7610 -17.7610 -17.7353 -17.7353 -17.2448 -17.2447 -17.2172 -17.2169 -17.0967 -17.0965 -16.9658 -16.9657 -8.1132 -8.1132 -7.4425 -7.4425 -6.4995 -6.4994 -5.8974 -5.8972 -5.1650 -5.1647 -5.1363 -5.1361 -4.8851 -4.8849 -4.8765 -4.8765 -2.5386 -2.5384 -2.4311 -2.4302 -2.3821 -2.3820 -2.1598 -2.1594 -2.1043 -2.1037 -2.0616 -2.0609 -1.6464 -1.6463 -1.5378 -1.5372 -1.5094 -1.5093 -1.2000 -1.1990 -0.1090 -0.1076 -0.0702 -0.0701 0.0112 0.0128 0.1463 0.1464 0.2724 0.2725 0.8585 0.8585 8.7743 8.7743 9.0656 9.0657 9.4610 9.4611 10.4802 10.4807 10.7035 10.7042 10.7466 10.7477 k = 0.1053 0.8194 0.4746 ( 6768 PWs) bands (ev): -20.1244 -20.1244 -20.0649 -20.0649 -17.7608 -17.7607 -17.7357 -17.7356 -17.2446 -17.2444 -17.2177 -17.2174 -17.0949 -17.0946 -16.9672 -16.9671 -8.1076 -8.1075 -7.4565 -7.4565 -6.4861 -6.4860 -5.9019 -5.9018 -5.1627 -5.1623 -5.1343 -5.1340 -4.8876 -4.8873 -4.8789 -4.8789 -2.5385 -2.5381 -2.4335 -2.4323 -2.3753 -2.3752 -2.1566 -2.1561 -2.1035 -2.1027 -2.0625 -2.0617 -1.6511 -1.6511 -1.5455 -1.5447 -1.5078 -1.5078 -1.2081 -1.2068 -0.1032 -0.1014 -0.0670 -0.0670 0.0164 0.0184 0.1463 0.1465 0.2766 0.2767 0.8506 0.8506 8.7791 8.7791 9.0728 9.0729 9.4523 9.4524 10.4463 10.4468 10.7103 10.7111 10.7388 10.7400 k = 0.1316 0.8194 0.4746 ( 6770 PWs) bands (ev): -20.1235 -20.1235 -20.0658 -20.0658 -17.7605 -17.7604 -17.7362 -17.7361 -17.2442 -17.2441 -17.2183 -17.2179 -17.0926 -17.0923 -16.9691 -16.9690 -8.1003 -8.1003 -7.4738 -7.4737 -6.4697 -6.4696 -5.9078 -5.9076 -5.1597 -5.1592 -5.1317 -5.1313 -4.8908 -4.8903 -4.8820 -4.8819 -2.5381 -2.5376 -2.4364 -2.4350 -2.3667 -2.3666 -2.1526 -2.1520 -2.1025 -2.1015 -2.0637 -2.0627 -1.6570 -1.6570 -1.5555 -1.5544 -1.5056 -1.5056 -1.2179 -1.2164 -0.0961 -0.0939 -0.0632 -0.0632 0.0227 0.0252 0.1463 0.1465 0.2821 0.2823 0.8405 0.8405 8.7853 8.7853 9.0815 9.0815 9.4422 9.4423 10.4071 10.4077 10.7155 10.7164 10.7312 10.7324 k = 0.1579 0.8194 0.4746 ( 6772 PWs) bands (ev): -20.1224 -20.1223 -20.0670 -20.0670 -17.7601 -17.7600 -17.7368 -17.7367 -17.2438 -17.2436 -17.2191 -17.2186 -17.0899 -17.0895 -16.9714 -16.9712 -8.0915 -8.0915 -7.4938 -7.4938 -6.4507 -6.4505 -5.9150 -5.9147 -5.1561 -5.1555 -5.1286 -5.1281 -4.8945 -4.8940 -4.8856 -4.8856 -2.5376 -2.5370 -2.4398 -2.4382 -2.3565 -2.3563 -2.1479 -2.1473 -2.1012 -2.1000 -2.0652 -2.0639 -1.6640 -1.6639 -1.5675 -1.5662 -1.5027 -1.5026 -1.2294 -1.2276 -0.0880 -0.0854 -0.0587 -0.0587 0.0303 0.0330 0.1462 0.1465 0.2891 0.2893 0.8284 0.8284 8.7928 8.7928 9.0910 9.0911 9.4318 9.4318 10.3638 10.3643 10.7175 10.7188 10.7252 10.7260 k = 0.1842 0.8194 0.4746 ( 6766 PWs) bands (ev): -20.1211 -20.1210 -20.0684 -20.0684 -17.7597 -17.7596 -17.7375 -17.7374 -17.2433 -17.2431 -17.2199 -17.2194 -17.0867 -17.0863 -16.9740 -16.9738 -8.0811 -8.0811 -7.5163 -7.5163 -6.4294 -6.4292 -5.9235 -5.9232 -5.1519 -5.1512 -5.1251 -5.1245 -4.8988 -4.8981 -4.8898 -4.8897 -2.5368 -2.5360 -2.4436 -2.4418 -2.3447 -2.3446 -2.1428 -2.1421 -2.0996 -2.0983 -2.0668 -2.0654 -1.6719 -1.6717 -1.5813 -1.5799 -1.4992 -1.4990 -1.2421 -1.2402 -0.0792 -0.0764 -0.0538 -0.0538 0.0387 0.0418 0.1462 0.1465 0.2977 0.2979 0.8142 0.8142 8.8016 8.8016 9.1007 9.1007 9.4221 9.4221 10.3172 10.3176 10.7133 10.7148 10.7238 10.7243 k = 0.2105 0.8194 0.4746 ( 6770 PWs) bands (ev): -20.1196 -20.1196 -20.0699 -20.0699 -17.7592 -17.7591 -17.7382 -17.7381 -17.2428 -17.2425 -17.2208 -17.2202 -17.0832 -17.0827 -16.9770 -16.9768 -8.0692 -8.0692 -7.5408 -7.5408 -6.4063 -6.4061 -5.9333 -5.9329 -5.1472 -5.1464 -5.1211 -5.1205 -4.9036 -4.9028 -4.8945 -4.8944 -2.5357 -2.5348 -2.4478 -2.4458 -2.3316 -2.3315 -2.1374 -2.1366 -2.0978 -2.0964 -2.0687 -2.0670 -1.6804 -1.6802 -1.5965 -1.5950 -1.4951 -1.4949 -1.2558 -1.2538 -0.0700 -0.0671 -0.0485 -0.0484 0.0478 0.0511 0.1461 0.1465 0.3079 0.3082 0.7981 0.7981 8.8117 8.8117 9.1095 9.1095 9.4144 9.4145 10.2678 10.2682 10.7068 10.7082 10.7234 10.7240 k = 0.2368 0.8194 0.4746 ( 6764 PWs) bands (ev): -20.1179 -20.1179 -20.0716 -20.0716 -17.7586 -17.7585 -17.7391 -17.7389 -17.2421 -17.2418 -17.2217 -17.2211 -17.0792 -17.0787 -16.9804 -16.9801 -8.0558 -8.0558 -7.5668 -7.5667 -6.3819 -6.3816 -5.9444 -5.9440 -5.1420 -5.1411 -5.1169 -5.1161 -4.9087 -4.9079 -4.8997 -4.8994 -2.5342 -2.5332 -2.4522 -2.4502 -2.3172 -2.3171 -2.1319 -2.1311 -2.0958 -2.0944 -2.0707 -2.0688 -1.6895 -1.6891 -1.6130 -1.6114 -1.4905 -1.4901 -1.2702 -1.2681 -0.0608 -0.0578 -0.0430 -0.0429 0.0573 0.0608 0.1459 0.1464 0.3200 0.3202 0.7802 0.7802 8.8230 8.8231 9.1161 9.1161 9.4105 9.4106 10.2164 10.2167 10.7004 10.7016 10.7219 10.7224 k = 0.2632 0.8194 0.4746 ( 6776 PWs) bands (ev): -20.1161 -20.1161 -20.0735 -20.0735 -17.7580 -17.7578 -17.7400 -17.7398 -17.2414 -17.2411 -17.2228 -17.2221 -17.0750 -17.0744 -16.9840 -16.9838 -8.0409 -8.0409 -7.5939 -7.5939 -6.3564 -6.3561 -5.9568 -5.9564 -5.1364 -5.1354 -5.1125 -5.1116 -4.9141 -4.9132 -4.9051 -4.9048 -2.5324 -2.5312 -2.4569 -2.4548 -2.3018 -2.3018 -2.1267 -2.1258 -2.0937 -2.0921 -2.0728 -2.0707 -1.6988 -1.6984 -1.6302 -1.6286 -1.4852 -1.4847 -1.2851 -1.2829 -0.0519 -0.0489 -0.0376 -0.0373 0.0670 0.0706 0.1457 0.1463 0.3339 0.3341 0.7606 0.7606 8.8355 8.8356 9.1191 9.1192 9.4119 9.4120 10.1633 10.1636 10.6944 10.6956 10.7192 10.7197 k = 0.2895 0.8194 0.4746 ( 6780 PWs) bands (ev): -20.1142 -20.1142 -20.0755 -20.0755 -17.7573 -17.7571 -17.7410 -17.7408 -17.2407 -17.2403 -17.2238 -17.2232 -17.0704 -17.0699 -16.9880 -16.9877 -8.0246 -8.0246 -7.6220 -7.6219 -6.3302 -6.3299 -5.9705 -5.9701 -5.1305 -5.1294 -5.1079 -5.1069 -4.9197 -4.9187 -4.9108 -4.9105 -2.5303 -2.5289 -2.4618 -2.4596 -2.2855 -2.2855 -2.1222 -2.1212 -2.0913 -2.0898 -2.0747 -2.0724 -1.7082 -1.7076 -1.6479 -1.6462 -1.4794 -1.4787 -1.3001 -1.2979 -0.0435 -0.0406 -0.0322 -0.0319 0.0767 0.0802 0.1453 0.1460 0.3498 0.3500 0.7395 0.7395 8.8492 8.8493 9.1177 9.1178 9.4199 9.4199 10.1092 10.1095 10.6890 10.6901 10.7155 10.7160 k = 0.3158 0.8194 0.4746 ( 6788 PWs) bands (ev): -20.1121 -20.1121 -20.0777 -20.0776 -17.7565 -17.7564 -17.7420 -17.7418 -17.2398 -17.2394 -17.2249 -17.2242 -17.0656 -17.0650 -16.9923 -16.9920 -8.0069 -8.0068 -7.6506 -7.6505 -6.3037 -6.3033 -5.9855 -5.9851 -5.1244 -5.1232 -5.1034 -5.1023 -4.9253 -4.9242 -4.9167 -4.9162 -2.5278 -2.5263 -2.4668 -2.4645 -2.2687 -2.2686 -2.1188 -2.1179 -2.0889 -2.0873 -2.0763 -2.0738 -1.7174 -1.7167 -1.6655 -1.6639 -1.4730 -1.4722 -1.3152 -1.3129 -0.0358 -0.0330 -0.0271 -0.0266 0.0861 0.0895 0.1448 0.1456 0.3676 0.3677 0.7169 0.7169 8.8640 8.8641 9.1115 9.1116 9.4348 9.4349 10.0545 10.0547 10.6844 10.6855 10.7111 10.7116 k = 0.3421 0.8194 0.4746 ( 6790 PWs) bands (ev): -20.1099 -20.1099 -20.0799 -20.0799 -17.7557 -17.7555 -17.7430 -17.7429 -17.2390 -17.2385 -17.2260 -17.2254 -17.0606 -17.0600 -16.9968 -16.9965 -7.9878 -7.9877 -7.6795 -7.6794 -6.2769 -6.2766 -6.0018 -6.0013 -5.1182 -5.1169 -5.0992 -5.0979 -4.9307 -4.9295 -4.9225 -4.9219 -2.5249 -2.5233 -2.4719 -2.4695 -2.2514 -2.2512 -2.1173 -2.1164 -2.0864 -2.0848 -2.0771 -2.0746 -1.7261 -1.7252 -1.6827 -1.6810 -1.4659 -1.4650 -1.3301 -1.3278 -0.0290 -0.0263 -0.0224 -0.0218 0.0949 0.0982 0.1441 0.1450 0.3872 0.3874 0.6930 0.6930 8.8799 8.8800 9.1009 9.1010 9.4565 9.4566 9.9996 9.9997 10.6807 10.6817 10.7061 10.7067 k = 0.3684 0.8194 0.4746 ( 6790 PWs) bands (ev): -20.1076 -20.1076 -20.0823 -20.0823 -17.7548 -17.7546 -17.7441 -17.7439 -17.2381 -17.2376 -17.2272 -17.2265 -17.0553 -17.0548 -17.0016 -17.0012 -7.9674 -7.9673 -7.7084 -7.7084 -6.2503 -6.2499 -6.0193 -6.0188 -5.1121 -5.1107 -5.0953 -5.0940 -4.9357 -4.9345 -4.9281 -4.9274 -2.5218 -2.5200 -2.4770 -2.4746 -2.2341 -2.2338 -2.1182 -2.1172 -2.0839 -2.0823 -2.0771 -2.0745 -1.7339 -1.7329 -1.6988 -1.6972 -1.4582 -1.4571 -1.3447 -1.3425 -0.0231 -0.0207 -0.0182 -0.0174 0.1031 0.1062 0.1431 0.1442 0.4087 0.4088 0.6681 0.6681 8.8967 8.8968 9.0868 9.0870 9.4842 9.4843 9.9448 9.9449 10.6780 10.6789 10.7010 10.7015 k = 0.3947 0.8194 0.4746 ( 6786 PWs) bands (ev): -20.1052 -20.1052 -20.0847 -20.0847 -17.7539 -17.7537 -17.7452 -17.7451 -17.2371 -17.2366 -17.2283 -17.2276 -17.0500 -17.0495 -17.0066 -17.0062 -7.9457 -7.9457 -7.7373 -7.7373 -6.2239 -6.2235 -6.0380 -6.0375 -5.1062 -5.1047 -5.0921 -5.0906 -4.9401 -4.9388 -4.9334 -4.9326 -2.5183 -2.5164 -2.4821 -2.4797 -2.2169 -2.2165 -2.1215 -2.1205 -2.0816 -2.0798 -2.0763 -2.0739 -1.7406 -1.7395 -1.7133 -1.7118 -1.4498 -1.4486 -1.3588 -1.3567 -0.0182 -0.0160 -0.0147 -0.0137 0.1105 0.1134 0.1418 0.1431 0.4317 0.4318 0.6423 0.6423 8.9144 8.9145 9.0702 9.0703 9.5170 9.5172 9.8905 9.8906 10.6762 10.6771 10.6959 10.6964 k = 0.4211 0.8194 0.4746 ( 6786 PWs) bands (ev): -20.1027 -20.1027 -20.0873 -20.0872 -17.7529 -17.7527 -17.7464 -17.7462 -17.2361 -17.2355 -17.2295 -17.2288 -17.0445 -17.0440 -17.0117 -17.0113 -7.9229 -7.9229 -7.7658 -7.7658 -6.1979 -6.1975 -6.0578 -6.0574 -5.1009 -5.0993 -5.0898 -5.0882 -4.9436 -4.9422 -4.9382 -4.9372 -2.5145 -2.5125 -2.4872 -2.4848 -2.2002 -2.1997 -2.1272 -2.1262 -2.0794 -2.0774 -2.0752 -2.0730 -1.7457 -1.7445 -1.7259 -1.7244 -1.4408 -1.4395 -1.3724 -1.3704 -0.0143 -0.0123 -0.0119 -0.0108 0.1171 0.1198 0.1401 0.1416 0.4561 0.4561 0.6159 0.6159 8.9329 8.9330 9.0517 9.0519 9.5542 9.5543 9.8372 9.8372 10.6755 10.6763 10.6909 10.6915 k = 0.4474 0.8194 0.4746 ( 6780 PWs) bands (ev): -20.1002 -20.1001 -20.0898 -20.0898 -17.7519 -17.7517 -17.7475 -17.7473 -17.2350 -17.2345 -17.2306 -17.2300 -17.0390 -17.0385 -17.0170 -17.0166 -7.8990 -7.8989 -7.7939 -7.7939 -6.1725 -6.1721 -6.0788 -6.0784 -5.0962 -5.0945 -5.0886 -5.0869 -4.9459 -4.9446 -4.9421 -4.9410 -2.5104 -2.5083 -2.4921 -2.4898 -2.1844 -2.1837 -2.1351 -2.1340 -2.0774 -2.0753 -2.0745 -2.0723 -1.7489 -1.7476 -1.7360 -1.7346 -1.4311 -1.4296 -1.3855 -1.3835 -0.0114 -0.0100 -0.0096 -0.0087 0.1228 0.1253 0.1380 0.1396 0.4815 0.4816 0.5889 0.5890 8.9521 8.9522 9.0322 9.0324 9.5951 9.5952 9.7850 9.7850 10.6758 10.6765 10.6865 10.6870 k = 0.4737 0.8194 0.4746 ( 6788 PWs) bands (ev): -20.0976 -20.0976 -20.0924 -20.0924 -17.7508 -17.7506 -17.7486 -17.7484 -17.2340 -17.2334 -17.2318 -17.2311 -17.0335 -17.0330 -17.0225 -17.0220 -7.8740 -7.8740 -7.8214 -7.8213 -6.1478 -6.1473 -6.1008 -6.1004 -5.0925 -5.0908 -5.0886 -5.0868 -4.9470 -4.9457 -4.9450 -4.9438 -2.5062 -2.5040 -2.4970 -2.4946 -2.1697 -2.1689 -2.1449 -2.1439 -2.0758 -2.0742 -2.0737 -2.0721 -1.7497 -1.7484 -1.7434 -1.7420 -1.4207 -1.4191 -1.3979 -1.3960 -0.0096 -0.0089 -0.0080 -0.0075 0.1277 0.1300 0.1352 0.1370 0.5078 0.5079 0.5618 0.5618 8.9719 8.9720 9.0122 9.0123 9.6390 9.6391 9.7343 9.7344 10.6771 10.6778 10.6826 10.6832 k = 0.5000 0.8194 0.4746 ( 6788 PWs) bands (ev): -20.0950 -20.0950 -20.0950 -20.0950 -17.7497 -17.7497 -17.7495 -17.7495 -17.2329 -17.2329 -17.2322 -17.2322 -17.0279 -17.0279 -17.0275 -17.0275 -7.8481 -7.8481 -7.8481 -7.8481 -6.1239 -6.1239 -6.1234 -6.1234 -5.0899 -5.0899 -5.0881 -5.0881 -4.9467 -4.9467 -4.9454 -4.9454 -2.5017 -2.5017 -2.4994 -2.4994 -2.1565 -2.1565 -2.1556 -2.1556 -2.0747 -2.0747 -2.0726 -2.0726 -1.7480 -1.7480 -1.7466 -1.7466 -1.4096 -1.4096 -1.4079 -1.4079 -0.0087 -0.0087 -0.0072 -0.0072 0.1318 0.1318 0.1339 0.1339 0.5347 0.5347 0.5347 0.5347 8.9920 8.9920 8.9921 8.9921 9.6855 9.6855 9.6856 9.6856 10.6794 10.6794 10.6801 10.6801 k = 0.5000 0.8194 0.4746 ( 6788 PWs) bands (ev): -20.0950 -20.0950 -20.0950 -20.0950 -17.7497 -17.7497 -17.7495 -17.7495 -17.2329 -17.2329 -17.2322 -17.2322 -17.0279 -17.0279 -17.0275 -17.0275 -7.8481 -7.8481 -7.8481 -7.8481 -6.1239 -6.1239 -6.1234 -6.1234 -5.0899 -5.0899 -5.0881 -5.0881 -4.9467 -4.9467 -4.9454 -4.9454 -2.5017 -2.5017 -2.4994 -2.4994 -2.1565 -2.1565 -2.1556 -2.1556 -2.0747 -2.0747 -2.0726 -2.0726 -1.7480 -1.7480 -1.7466 -1.7466 -1.4096 -1.4096 -1.4079 -1.4079 -0.0087 -0.0087 -0.0072 -0.0072 0.1318 0.1318 0.1339 0.1339 0.5347 0.5347 0.5347 0.5347 8.9920 8.9920 8.9921 8.9921 9.6855 9.6855 9.6856 9.6856 10.6794 10.6794 10.6801 10.6801 k = 0.5000 0.8322 0.4525 ( 6798 PWs) bands (ev): -20.0949 -20.0949 -20.0949 -20.0949 -17.7498 -17.7498 -17.7495 -17.7495 -17.2330 -17.2330 -17.2324 -17.2324 -17.0280 -17.0280 -17.0274 -17.0274 -7.8473 -7.8473 -7.8471 -7.8471 -6.1247 -6.1247 -6.1241 -6.1241 -5.0900 -5.0900 -5.0883 -5.0883 -4.9464 -4.9464 -4.9450 -4.9450 -2.5017 -2.5017 -2.4994 -2.4994 -2.1613 -2.1613 -2.1594 -2.1594 -2.0707 -2.0707 -2.0681 -2.0681 -1.7476 -1.7476 -1.7462 -1.7462 -1.4096 -1.4096 -1.4079 -1.4079 -0.0095 -0.0095 -0.0078 -0.0078 0.1321 0.1321 0.1343 0.1343 0.5334 0.5334 0.5336 0.5336 8.9929 8.9929 8.9932 8.9932 9.6871 9.6871 9.6872 9.6872 10.6790 10.6790 10.6798 10.6798 k = 0.5000 0.8450 0.4304 ( 6794 PWs) bands (ev): -20.0947 -20.0947 -20.0947 -20.0947 -17.7500 -17.7500 -17.7494 -17.7494 -17.2336 -17.2336 -17.2327 -17.2327 -17.0280 -17.0280 -17.0274 -17.0274 -7.8447 -7.8447 -7.8443 -7.8443 -6.1273 -6.1273 -6.1263 -6.1263 -5.0904 -5.0904 -5.0886 -5.0886 -4.9453 -4.9453 -4.9437 -4.9437 -2.5018 -2.5018 -2.4993 -2.4993 -2.1727 -2.1727 -2.1697 -2.1697 -2.0603 -2.0603 -2.0570 -2.0570 -1.7466 -1.7466 -1.7451 -1.7451 -1.4095 -1.4095 -1.4077 -1.4077 -0.0117 -0.0117 -0.0094 -0.0094 0.1328 0.1328 0.1355 0.1355 0.5298 0.5298 0.5303 0.5303 8.9959 8.9959 8.9963 8.9963 9.6919 9.6919 9.6921 9.6921 10.6779 10.6779 10.6788 10.6788 k = 0.5000 0.8578 0.4083 ( 6792 PWs) bands (ev): -20.0944 -20.0944 -20.0943 -20.0943 -17.7503 -17.7503 -17.7494 -17.7494 -17.2344 -17.2344 -17.2334 -17.2334 -17.0280 -17.0280 -17.0273 -17.0273 -7.8404 -7.8404 -7.8398 -7.8398 -6.1314 -6.1314 -6.1300 -6.1300 -5.0911 -5.0911 -5.0892 -5.0892 -4.9436 -4.9436 -4.9417 -4.9417 -2.5021 -2.5021 -2.4993 -2.4993 -2.1873 -2.1873 -2.1837 -2.1837 -2.0465 -2.0465 -2.0428 -2.0428 -1.7449 -1.7449 -1.7431 -1.7431 -1.4094 -1.4094 -1.4075 -1.4075 -0.0152 -0.0152 -0.0123 -0.0123 0.1342 0.1342 0.1374 0.1374 0.5239 0.5239 0.5247 0.5247 9.0009 9.0009 9.0015 9.0015 9.6998 9.6998 9.7000 9.7000 10.6758 10.6758 10.6771 10.6771 k = 0.5000 0.8706 0.3862 ( 6784 PWs) bands (ev): -20.0940 -20.0940 -20.0938 -20.0938 -17.7506 -17.7506 -17.7494 -17.7494 -17.2355 -17.2355 -17.2343 -17.2343 -17.0281 -17.0281 -17.0272 -17.0272 -7.8343 -7.8343 -7.8336 -7.8336 -6.1370 -6.1370 -6.1352 -6.1352 -5.0919 -5.0919 -5.0900 -5.0900 -4.9412 -4.9412 -4.9391 -4.9391 -2.5024 -2.5024 -2.4993 -2.4993 -2.2032 -2.2032 -2.1991 -2.1991 -2.0313 -2.0313 -2.0273 -2.0273 -1.7424 -1.7424 -1.7404 -1.7404 -1.4093 -1.4093 -1.4072 -1.4072 -0.0199 -0.0199 -0.0164 -0.0164 0.1361 0.1361 0.1398 0.1398 0.5160 0.5160 0.5170 0.5170 9.0079 9.0079 9.0087 9.0087 9.7108 9.7108 9.7111 9.7111 10.6727 10.6727 10.6743 10.6743 k = 0.5000 0.8834 0.3641 ( 6770 PWs) bands (ev): -20.0934 -20.0934 -20.0932 -20.0932 -17.7509 -17.7509 -17.7495 -17.7495 -17.2369 -17.2369 -17.2354 -17.2354 -17.0281 -17.0281 -17.0271 -17.0271 -7.8266 -7.8266 -7.8257 -7.8257 -6.1441 -6.1441 -6.1418 -6.1418 -5.0928 -5.0928 -5.0909 -5.0909 -4.9383 -4.9383 -4.9358 -4.9358 -2.5029 -2.5029 -2.4994 -2.4994 -2.2196 -2.2196 -2.2150 -2.2150 -2.0158 -2.0158 -2.0116 -2.0116 -1.7390 -1.7390 -1.7368 -1.7368 -1.4091 -1.4091 -1.4068 -1.4068 -0.0257 -0.0257 -0.0217 -0.0217 0.1385 0.1385 0.1427 0.1427 0.5062 0.5062 0.5074 0.5074 9.0168 9.0168 9.0177 9.0177 9.7247 9.7247 9.7251 9.7251 10.6682 10.6682 10.6701 10.6701 k = 0.5000 0.8962 0.3420 ( 6768 PWs) bands (ev): -20.0927 -20.0927 -20.0925 -20.0925 -17.7512 -17.7512 -17.7495 -17.7495 -17.2385 -17.2385 -17.2369 -17.2369 -17.0281 -17.0281 -17.0270 -17.0270 -7.8174 -7.8174 -7.8163 -7.8163 -6.1525 -6.1525 -6.1498 -6.1498 -5.0939 -5.0939 -5.0918 -5.0918 -4.9348 -4.9348 -4.9321 -4.9321 -2.5037 -2.5037 -2.4996 -2.4996 -2.2358 -2.2358 -2.2307 -2.2307 -2.0006 -2.0006 -1.9962 -1.9962 -1.7349 -1.7349 -1.7324 -1.7324 -1.4088 -1.4088 -1.4063 -1.4063 -0.0326 -0.0326 -0.0281 -0.0281 0.1413 0.1413 0.1460 0.1460 0.4946 0.4946 0.4962 0.4962 9.0275 9.0275 9.0286 9.0286 9.7414 9.7414 9.7419 9.7419 10.6620 10.6620 10.6642 10.6642 k = 0.5000 0.9090 0.3199 ( 6762 PWs) bands (ev): -20.0919 -20.0919 -20.0917 -20.0917 -17.7515 -17.7515 -17.7496 -17.7496 -17.2404 -17.2404 -17.2385 -17.2385 -17.0281 -17.0281 -17.0269 -17.0269 -7.8067 -7.8067 -7.8054 -7.8054 -6.1622 -6.1622 -6.1591 -6.1591 -5.0950 -5.0950 -5.0928 -5.0928 -4.9310 -4.9310 -4.9280 -4.9280 -2.5047 -2.5047 -2.5002 -2.5002 -2.2514 -2.2514 -2.2458 -2.2458 -1.9861 -1.9861 -1.9815 -1.9815 -1.7298 -1.7298 -1.7270 -1.7270 -1.4085 -1.4085 -1.4058 -1.4058 -0.0405 -0.0405 -0.0358 -0.0358 0.1445 0.1445 0.1495 0.1495 0.4816 0.4816 0.4835 0.4835 9.0399 9.0399 9.0411 9.0411 9.7607 9.7607 9.7613 9.7613 10.6536 10.6536 10.6562 10.6562 k = 0.5000 0.9218 0.2977 ( 6764 PWs) bands (ev): -20.0911 -20.0911 -20.0908 -20.0908 -17.7518 -17.7518 -17.7497 -17.7497 -17.2425 -17.2425 -17.2404 -17.2404 -17.0281 -17.0281 -17.0268 -17.0268 -7.7947 -7.7947 -7.7933 -7.7933 -6.1730 -6.1730 -6.1695 -6.1695 -5.0960 -5.0960 -5.0938 -5.0938 -4.9268 -4.9268 -4.9235 -4.9235 -2.5061 -2.5061 -2.5010 -2.5010 -2.2663 -2.2663 -2.2601 -2.2601 -1.9726 -1.9726 -1.9677 -1.9677 -1.7239 -1.7239 -1.7208 -1.7208 -1.4080 -1.4080 -1.4051 -1.4051 -0.0495 -0.0495 -0.0444 -0.0444 0.1479 0.1479 0.1532 0.1532 0.4676 0.4676 0.4698 0.4698 9.0538 9.0538 9.0552 9.0552 9.7824 9.7824 9.7831 9.7831 10.6428 10.6428 10.6456 10.6456 k = 0.5000 0.9347 0.2756 ( 6760 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -17.7521 -17.7521 -17.7497 -17.7497 -17.2448 -17.2448 -17.2425 -17.2425 -17.0281 -17.0281 -17.0267 -17.0267 -7.7816 -7.7816 -7.7800 -7.7800 -6.1848 -6.1848 -6.1810 -6.1810 -5.0970 -5.0970 -5.0947 -5.0947 -4.9224 -4.9224 -4.9189 -4.9189 -2.5080 -2.5080 -2.5023 -2.5023 -2.2801 -2.2801 -2.2733 -2.2733 -1.9601 -1.9601 -1.9551 -1.9551 -1.7170 -1.7170 -1.7136 -1.7136 -1.4076 -1.4076 -1.4044 -1.4044 -0.0593 -0.0593 -0.0542 -0.0542 0.1516 0.1516 0.1570 0.1570 0.4527 0.4527 0.4553 0.4553 9.0692 9.0692 9.0708 9.0708 9.8062 9.8062 9.8070 9.8070 10.6290 10.6290 10.6322 10.6322 k = 0.5000 0.9475 0.2535 ( 6754 PWs) bands (ev): -20.0892 -20.0892 -20.0889 -20.0889 -17.7523 -17.7523 -17.7497 -17.7497 -17.2473 -17.2473 -17.2448 -17.2448 -17.0280 -17.0280 -17.0266 -17.0266 -7.7676 -7.7676 -7.7658 -7.7658 -6.1975 -6.1975 -6.1933 -6.1933 -5.0980 -5.0980 -5.0956 -5.0956 -4.9178 -4.9178 -4.9141 -4.9141 -2.5104 -2.5104 -2.5042 -2.5042 -2.2927 -2.2927 -2.2853 -2.2853 -1.9488 -1.9488 -1.9436 -1.9436 -1.7093 -1.7093 -1.7057 -1.7057 -1.4070 -1.4070 -1.4036 -1.4036 -0.0701 -0.0701 -0.0648 -0.0648 0.1553 0.1553 0.1609 0.1609 0.4374 0.4374 0.4404 0.4404 9.0859 9.0859 9.0876 9.0876 9.8316 9.8316 9.8326 9.8326 10.6121 10.6121 10.6156 10.6156 k = 0.5000 0.9603 0.2314 ( 6748 PWs) bands (ev): -20.0882 -20.0882 -20.0879 -20.0879 -17.7525 -17.7525 -17.7497 -17.7497 -17.2499 -17.2499 -17.2472 -17.2472 -17.0280 -17.0280 -17.0265 -17.0265 -7.7528 -7.7528 -7.7508 -7.7508 -6.2108 -6.2108 -6.2063 -6.2063 -5.0988 -5.0988 -5.0963 -5.0963 -4.9131 -4.9131 -4.9093 -4.9093 -2.5133 -2.5133 -2.5066 -2.5066 -2.3039 -2.3039 -2.2960 -2.2960 -1.9388 -1.9388 -1.9335 -1.9335 -1.7009 -1.7009 -1.6971 -1.6971 -1.4064 -1.4064 -1.4027 -1.4027 -0.0817 -0.0817 -0.0764 -0.0764 0.1590 0.1590 0.1648 0.1648 0.4221 0.4221 0.4255 0.4255 9.1035 9.1035 9.1053 9.1053 9.8584 9.8584 9.8595 9.8595 10.5920 10.5920 10.5958 10.5958 k = 0.5000 0.9731 0.2093 ( 6752 PWs) bands (ev): -20.0872 -20.0872 -20.0869 -20.0869 -17.7525 -17.7525 -17.7495 -17.7495 -17.2526 -17.2526 -17.2497 -17.2497 -17.0279 -17.0279 -17.0263 -17.0263 -7.7374 -7.7374 -7.7353 -7.7353 -6.2246 -6.2246 -6.2198 -6.2198 -5.0995 -5.0995 -5.0969 -5.0969 -4.9085 -4.9085 -4.9045 -4.9045 -2.5169 -2.5169 -2.5097 -2.5097 -2.3136 -2.3136 -2.3051 -2.3051 -1.9299 -1.9299 -1.9245 -1.9245 -1.6920 -1.6920 -1.6879 -1.6879 -1.4059 -1.4059 -1.4018 -1.4018 -0.0940 -0.0940 -0.0887 -0.0887 0.1626 0.1626 0.1686 0.1686 0.4070 0.4070 0.4109 0.4109 9.1220 9.1220 9.1239 9.1239 9.8859 9.8859 9.8872 9.8872 10.5689 10.5689 10.5730 10.5730 k = 0.5000 0.9859 0.1872 ( 6762 PWs) bands (ev): -20.0862 -20.0862 -20.0859 -20.0859 -17.7525 -17.7525 -17.7493 -17.7493 -17.2554 -17.2554 -17.2524 -17.2524 -17.0278 -17.0278 -17.0262 -17.0262 -7.7218 -7.7218 -7.7196 -7.7196 -6.2387 -6.2387 -6.2336 -6.2336 -5.1001 -5.1001 -5.0974 -5.0974 -4.9039 -4.9039 -4.8998 -4.8998 -2.5210 -2.5210 -2.5134 -2.5134 -2.3217 -2.3217 -2.3128 -2.3128 -1.9222 -1.9222 -1.9168 -1.9168 -1.6826 -1.6826 -1.6784 -1.6784 -1.4053 -1.4053 -1.4010 -1.4010 -0.1070 -0.1070 -0.1016 -0.1016 0.1661 0.1661 0.1722 0.1722 0.3925 0.3925 0.3969 0.3969 9.1409 9.1409 9.1429 9.1429 9.9134 9.9134 9.9149 9.9149 10.5434 10.5434 10.5477 10.5477 k = 0.5000 0.9987 0.1651 ( 6768 PWs) bands (ev): -20.0852 -20.0852 -20.0849 -20.0849 -17.7522 -17.7522 -17.7489 -17.7489 -17.2584 -17.2584 -17.2552 -17.2552 -17.0277 -17.0277 -17.0260 -17.0260 -7.7063 -7.7063 -7.7038 -7.7038 -6.2528 -6.2528 -6.2474 -6.2474 -5.1006 -5.1006 -5.0978 -5.0978 -4.8995 -4.8995 -4.8953 -4.8953 -2.5256 -2.5256 -2.5177 -2.5177 -2.3282 -2.3282 -2.3189 -2.3189 -1.9155 -1.9155 -1.9100 -1.9100 -1.6731 -1.6731 -1.6687 -1.6687 -1.4049 -1.4049 -1.4002 -1.4002 -0.1203 -0.1203 -0.1150 -0.1150 0.1693 0.1693 0.1757 0.1757 0.3790 0.3790 0.3839 0.3839 9.1600 9.1600 9.1621 9.1621 9.9400 9.9400 9.9417 9.9417 10.5164 10.5164 10.5209 10.5209 k = 0.5000 1.0115 0.1430 ( 6774 PWs) bands (ev): -20.0844 -20.0844 -20.0840 -20.0840 -17.7518 -17.7518 -17.7483 -17.7483 -17.2613 -17.2613 -17.2580 -17.2580 -17.0276 -17.0276 -17.0259 -17.0259 -7.6910 -7.6910 -7.6884 -7.6884 -6.2666 -6.2666 -6.2610 -6.2610 -5.1010 -5.1010 -5.0982 -5.0982 -4.8953 -4.8953 -4.8911 -4.8911 -2.5306 -2.5306 -2.5225 -2.5225 -2.3331 -2.3331 -2.3236 -2.3236 -1.9097 -1.9097 -1.9043 -1.9043 -1.6636 -1.6636 -1.6591 -1.6591 -1.4047 -1.4047 -1.3996 -1.3996 -0.1339 -0.1339 -0.1285 -0.1285 0.1722 0.1722 0.1789 0.1789 0.3667 0.3667 0.3721 0.3721 9.1787 9.1787 9.1810 9.1810 9.9645 9.9645 9.9666 9.9666 10.4893 10.4893 10.4942 10.4942 k = 0.5000 1.0243 0.1208 ( 6780 PWs) bands (ev): -20.0836 -20.0836 -20.0832 -20.0832 -17.7512 -17.7512 -17.7476 -17.7476 -17.2643 -17.2643 -17.2609 -17.2609 -17.0274 -17.0274 -17.0257 -17.0257 -7.6763 -7.6763 -7.6736 -7.6736 -6.2800 -6.2800 -6.2742 -6.2742 -5.1014 -5.1014 -5.0984 -5.0984 -4.8914 -4.8914 -4.8871 -4.8871 -2.5358 -2.5358 -2.5277 -2.5277 -2.3365 -2.3365 -2.3268 -2.3268 -1.9047 -1.9047 -1.8993 -1.8993 -1.6543 -1.6543 -1.6497 -1.6497 -1.4048 -1.4048 -1.3992 -1.3992 -0.1473 -0.1473 -0.1419 -0.1419 0.1748 0.1748 0.1818 0.1818 0.3558 0.3558 0.3618 0.3618 9.1967 9.1967 9.1990 9.1990 9.9855 9.9855 9.9878 9.9878 10.4642 10.4642 10.4693 10.4693 k = 0.5000 1.0371 0.0987 ( 6800 PWs) bands (ev): -20.0829 -20.0829 -20.0826 -20.0826 -17.7503 -17.7503 -17.7466 -17.7466 -17.2673 -17.2673 -17.2637 -17.2637 -17.0273 -17.0273 -17.0256 -17.0256 -7.6626 -7.6626 -7.6598 -7.6598 -6.2926 -6.2926 -6.2866 -6.2866 -5.1017 -5.1017 -5.0986 -5.0986 -4.8878 -4.8878 -4.8835 -4.8835 -2.5411 -2.5411 -2.5329 -2.5329 -2.3386 -2.3386 -2.3289 -2.3289 -1.9004 -1.9004 -1.8950 -1.8950 -1.6455 -1.6455 -1.6408 -1.6408 -1.4052 -1.4052 -1.3992 -1.3992 -0.1604 -0.1604 -0.1549 -0.1549 0.1771 0.1771 0.1843 0.1843 0.3465 0.3465 0.3530 0.3530 9.2132 9.2132 9.2156 9.2156 10.0012 10.0012 10.0038 10.0038 10.4434 10.4434 10.4488 10.4488 k = 0.5000 1.0499 0.0766 ( 6802 PWs) bands (ev): -20.0824 -20.0824 -20.0821 -20.0821 -17.7492 -17.7492 -17.7453 -17.7453 -17.2703 -17.2703 -17.2666 -17.2666 -17.0271 -17.0271 -17.0254 -17.0254 -7.6503 -7.6503 -7.6473 -7.6473 -6.3040 -6.3040 -6.2979 -6.2979 -5.1019 -5.1019 -5.0988 -5.0988 -4.8845 -4.8845 -4.8803 -4.8803 -2.5462 -2.5462 -2.5381 -2.5381 -2.3395 -2.3395 -2.3298 -2.3298 -1.8966 -1.8966 -1.8914 -1.8914 -1.6373 -1.6373 -1.6324 -1.6324 -1.4061 -1.4061 -1.3996 -1.3996 -0.1727 -0.1727 -0.1671 -0.1671 0.1789 0.1789 0.1864 0.1864 0.3389 0.3389 0.3458 0.3458 9.2275 9.2275 9.2299 9.2299 10.0100 10.0100 10.0128 10.0128 10.4294 10.4294 10.4349 10.4349 k = 0.5000 1.0627 0.0545 ( 6812 PWs) bands (ev): -20.0821 -20.0821 -20.0817 -20.0817 -17.7478 -17.7478 -17.7438 -17.7438 -17.2732 -17.2732 -17.2695 -17.2695 -17.0269 -17.0269 -17.0252 -17.0252 -7.6396 -7.6396 -7.6366 -7.6366 -6.3141 -6.3141 -6.3078 -6.3078 -5.1022 -5.1022 -5.0990 -5.0990 -4.8818 -4.8818 -4.8776 -4.8776 -2.5509 -2.5509 -2.5430 -2.5430 -2.3393 -2.3393 -2.3297 -2.3297 -1.8933 -1.8933 -1.8882 -1.8882 -1.6298 -1.6298 -1.6248 -1.6248 -1.4075 -1.4075 -1.4006 -1.4006 -0.1840 -0.1840 -0.1783 -0.1783 0.1804 0.1804 0.1880 0.1880 0.3331 0.3331 0.3403 0.3403 9.2385 9.2385 9.2409 9.2409 10.0111 10.0111 10.0140 10.0140 10.4238 10.4238 10.4294 10.4294 k = 0.5000 1.0756 0.0324 ( 6806 PWs) bands (ev): -20.0819 -20.0819 -20.0815 -20.0815 -17.7460 -17.7460 -17.7419 -17.7419 -17.2761 -17.2761 -17.2722 -17.2722 -17.0267 -17.0267 -17.0250 -17.0250 -7.6310 -7.6310 -7.6279 -7.6279 -6.3225 -6.3225 -6.3161 -6.3161 -5.1026 -5.1026 -5.0992 -5.0992 -4.8795 -4.8795 -4.8754 -4.8754 -2.5551 -2.5551 -2.5473 -2.5473 -2.3383 -2.3383 -2.3287 -2.3287 -1.8905 -1.8905 -1.8854 -1.8854 -1.6231 -1.6231 -1.6179 -1.6179 -1.4096 -1.4096 -1.4022 -1.4022 -0.1938 -0.1938 -0.1880 -0.1880 0.1816 0.1816 0.1892 0.1892 0.3290 0.3290 0.3364 0.3364 9.2452 9.2452 9.2476 9.2476 10.0053 10.0053 10.0082 10.0082 10.4271 10.4271 10.4325 10.4325 k = 0.5000 1.0884 0.0103 ( 6806 PWs) bands (ev): -20.0819 -20.0819 -20.0816 -20.0816 -17.7438 -17.7438 -17.7397 -17.7397 -17.2789 -17.2789 -17.2750 -17.2750 -17.0264 -17.0264 -17.0248 -17.0248 -7.6247 -7.6247 -7.6216 -7.6216 -6.3289 -6.3289 -6.3225 -6.3225 -5.1030 -5.1030 -5.0995 -5.0995 -4.8778 -4.8778 -4.8738 -4.8738 -2.5585 -2.5585 -2.5509 -2.5509 -2.3364 -2.3364 -2.3271 -2.3271 -1.8879 -1.8879 -1.8830 -1.8830 -1.6174 -1.6174 -1.6121 -1.6121 -1.4123 -1.4123 -1.4044 -1.4044 -0.2018 -0.2018 -0.1960 -0.1960 0.1826 0.1826 0.1902 0.1902 0.3266 0.3266 0.3341 0.3341 9.2462 9.2462 9.2486 9.2486 9.9949 9.9949 9.9977 9.9977 10.4379 10.4379 10.4430 10.4430 k = 0.5000 1.0884 0.0103 ( 6806 PWs) bands (ev): -20.0819 -20.0819 -20.0816 -20.0816 -17.7438 -17.7438 -17.7397 -17.7397 -17.2789 -17.2789 -17.2750 -17.2750 -17.0264 -17.0264 -17.0248 -17.0248 -7.6247 -7.6247 -7.6216 -7.6216 -6.3289 -6.3289 -6.3225 -6.3225 -5.1030 -5.1030 -5.0995 -5.0995 -4.8778 -4.8778 -4.8738 -4.8738 -2.5585 -2.5585 -2.5509 -2.5509 -2.3364 -2.3364 -2.3271 -2.3271 -1.8879 -1.8879 -1.8830 -1.8830 -1.6174 -1.6174 -1.6121 -1.6121 -1.4123 -1.4123 -1.4044 -1.4044 -0.2018 -0.2018 -0.1960 -0.1960 0.1826 0.1826 0.1902 0.1902 0.3266 0.3266 0.3341 0.3341 9.2462 9.2462 9.2486 9.2486 9.9949 9.9949 9.9977 9.9977 10.4379 10.4379 10.4430 10.4430 k = 0.5000 1.0756-0.0123 ( 6814 PWs) bands (ev): -20.0827 -20.0827 -20.0823 -20.0823 -17.7366 -17.7366 -17.7324 -17.7324 -17.2852 -17.2852 -17.2812 -17.2812 -17.0268 -17.0268 -17.0252 -17.0252 -7.6272 -7.6272 -7.6241 -7.6241 -6.3254 -6.3254 -6.3189 -6.3189 -5.1043 -5.1043 -5.1008 -5.1008 -4.8775 -4.8775 -4.8735 -4.8735 -2.5613 -2.5613 -2.5540 -2.5540 -2.3339 -2.3339 -2.3248 -2.3248 -1.8878 -1.8878 -1.8829 -1.8829 -1.6139 -1.6139 -1.6082 -1.6082 -1.4094 -1.4094 -1.4011 -1.4011 -0.2078 -0.2078 -0.2020 -0.2020 0.1869 0.1869 0.1949 0.1949 0.3214 0.3214 0.3293 0.3293 9.2455 9.2455 9.2479 9.2479 9.9744 9.9744 9.9770 9.9770 10.4534 10.4534 10.4582 10.4582 k = 0.5000 1.0627-0.0349 ( 6810 PWs) bands (ev): -20.0837 -20.0837 -20.0833 -20.0833 -17.7286 -17.7286 -17.7243 -17.7243 -17.2918 -17.2918 -17.2877 -17.2877 -17.0271 -17.0271 -17.0256 -17.0256 -7.6322 -7.6322 -7.6291 -7.6291 -6.3196 -6.3196 -6.3131 -6.3131 -5.1059 -5.1059 -5.1022 -5.1022 -4.8777 -4.8777 -4.8738 -4.8738 -2.5637 -2.5637 -2.5566 -2.5566 -2.3307 -2.3307 -2.3219 -2.3219 -1.8877 -1.8877 -1.8829 -1.8829 -1.6117 -1.6117 -1.6056 -1.6056 -1.4062 -1.4062 -1.3978 -1.3978 -0.2124 -0.2124 -0.2067 -0.2067 0.1916 0.1916 0.2001 0.2001 0.3168 0.3168 0.3252 0.3252 9.2384 9.2384 9.2407 9.2407 9.9521 9.9521 9.9545 9.9545 10.4743 10.4743 10.4788 10.4788 k = 0.5000 1.0499-0.0575 ( 6808 PWs) bands (ev): -20.0849 -20.0849 -20.0845 -20.0845 -17.7200 -17.7200 -17.7155 -17.7155 -17.2988 -17.2988 -17.2945 -17.2945 -17.0274 -17.0274 -17.0259 -17.0259 -7.6394 -7.6394 -7.6365 -7.6365 -6.3119 -6.3119 -6.3055 -6.3055 -5.1076 -5.1076 -5.1038 -5.1038 -4.8784 -4.8784 -4.8746 -4.8746 -2.5656 -2.5656 -2.5588 -2.5588 -2.3268 -2.3268 -2.3184 -2.3184 -1.8876 -1.8876 -1.8828 -1.8828 -1.6107 -1.6107 -1.6042 -1.6042 -1.4031 -1.4031 -1.3945 -1.3945 -0.2156 -0.2156 -0.2099 -0.2099 0.1965 0.1965 0.2054 0.2054 0.3133 0.3133 0.3220 0.3220 9.2261 9.2261 9.2283 9.2283 9.9280 9.9280 9.9302 9.9302 10.4992 10.4992 10.5035 10.5035 k = 0.5000 1.0371-0.0801 ( 6794 PWs) bands (ev): -20.0863 -20.0863 -20.0859 -20.0859 -17.7106 -17.7106 -17.7061 -17.7061 -17.3061 -17.3061 -17.3017 -17.3017 -17.0277 -17.0277 -17.0263 -17.0263 -7.6486 -7.6486 -7.6457 -7.6457 -6.3024 -6.3024 -6.2961 -6.2961 -5.1095 -5.1095 -5.1055 -5.1055 -4.8796 -4.8796 -4.8758 -4.8758 -2.5672 -2.5672 -2.5607 -2.5607 -2.3224 -2.3224 -2.3143 -2.3143 -1.8875 -1.8875 -1.8828 -1.8828 -1.6107 -1.6107 -1.6040 -1.6040 -1.4000 -1.4000 -1.3914 -1.3914 -0.2174 -0.2174 -0.2118 -0.2118 0.2014 0.2014 0.2105 0.2105 0.3111 0.3111 0.3201 0.3201 9.2096 9.2096 9.2117 9.2117 9.9023 9.9023 9.9044 9.9044 10.5263 10.5263 10.5304 10.5304 k = 0.5000 1.0243-0.1027 ( 6792 PWs) bands (ev): -20.0878 -20.0878 -20.0874 -20.0874 -17.7006 -17.7006 -17.6960 -17.6960 -17.3137 -17.3137 -17.3092 -17.3092 -17.0280 -17.0280 -17.0266 -17.0266 -7.6593 -7.6593 -7.6565 -7.6565 -6.2916 -6.2916 -6.2854 -6.2854 -5.1114 -5.1114 -5.1073 -5.1073 -4.8812 -4.8812 -4.8775 -4.8775 -2.5685 -2.5685 -2.5623 -2.5623 -2.3173 -2.3173 -2.3096 -2.3096 -1.8875 -1.8875 -1.8829 -1.8829 -1.6116 -1.6116 -1.6046 -1.6046 -1.3973 -1.3973 -1.3886 -1.3886 -0.2180 -0.2180 -0.2125 -0.2125 0.2058 0.2058 0.2149 0.2149 0.3106 0.3106 0.3197 0.3197 9.1900 9.1900 9.1921 9.1921 9.8756 9.8756 9.8775 9.8775 10.5538 10.5538 10.5578 10.5578 k = 0.5000 1.0115-0.1253 ( 6780 PWs) bands (ev): -20.0894 -20.0894 -20.0891 -20.0891 -17.6901 -17.6901 -17.6854 -17.6854 -17.3217 -17.3217 -17.3170 -17.3170 -17.0282 -17.0282 -17.0269 -17.0269 -7.6712 -7.6712 -7.6686 -7.6686 -6.2797 -6.2797 -6.2737 -6.2737 -5.1134 -5.1134 -5.1092 -5.1092 -4.8832 -4.8832 -4.8795 -4.8795 -2.5696 -2.5696 -2.5637 -2.5637 -2.3117 -2.3117 -2.3044 -2.3044 -1.8877 -1.8877 -1.8831 -1.8831 -1.6133 -1.6133 -1.6061 -1.6061 -1.3949 -1.3949 -1.3863 -1.3863 -0.2175 -0.2175 -0.2121 -0.2121 0.2094 0.2094 0.2182 0.2182 0.3121 0.3121 0.3210 0.3210 9.1683 9.1683 9.1702 9.1702 9.8484 9.8484 9.8502 9.8502 10.5802 10.5802 10.5843 10.5843 k = 0.5000 0.9987-0.1479 ( 6778 PWs) bands (ev): -20.0911 -20.0911 -20.0908 -20.0908 -17.6791 -17.6791 -17.6743 -17.6743 -17.3299 -17.3299 -17.3252 -17.3252 -17.0285 -17.0285 -17.0271 -17.0271 -7.6840 -7.6840 -7.6815 -7.6815 -6.2670 -6.2670 -6.2611 -6.2611 -5.1153 -5.1153 -5.1111 -5.1111 -4.8855 -4.8855 -4.8819 -4.8819 -2.5705 -2.5705 -2.5649 -2.5649 -2.3055 -2.3055 -2.2987 -2.2987 -1.8880 -1.8880 -1.8835 -1.8835 -1.6155 -1.6155 -1.6083 -1.6083 -1.3929 -1.3929 -1.3846 -1.3846 -0.2160 -0.2160 -0.2108 -0.2108 0.2119 0.2119 0.2200 0.2200 0.3157 0.3157 0.3241 0.3241 9.1452 9.1452 9.1470 9.1470 9.8212 9.8212 9.8229 9.8229 10.6043 10.6043 10.6085 10.6085 k = 0.5000 0.9859-0.1705 ( 6776 PWs) bands (ev): -20.0928 -20.0928 -20.0925 -20.0925 -17.6677 -17.6677 -17.6628 -17.6628 -17.3384 -17.3384 -17.3336 -17.3336 -17.0287 -17.0287 -17.0274 -17.0274 -7.6974 -7.6974 -7.6950 -7.6950 -6.2537 -6.2537 -6.2481 -6.2481 -5.1172 -5.1172 -5.1130 -5.1130 -4.8880 -4.8880 -4.8845 -4.8845 -2.5712 -2.5712 -2.5660 -2.5660 -2.2989 -2.2989 -2.2926 -2.2926 -1.8885 -1.8885 -1.8842 -1.8842 -1.6182 -1.6182 -1.6109 -1.6109 -1.3914 -1.3914 -1.3833 -1.3833 -0.2137 -0.2137 -0.2087 -0.2087 0.2133 0.2133 0.2205 0.2205 0.3214 0.3214 0.3292 0.3292 9.1214 9.1214 9.1231 9.1231 9.7944 9.7944 9.7960 9.7960 10.6255 10.6255 10.6297 10.6297 k = 0.5000 0.9731-0.1931 ( 6774 PWs) bands (ev): -20.0946 -20.0946 -20.0943 -20.0943 -17.6559 -17.6559 -17.6510 -17.6510 -17.3472 -17.3472 -17.3424 -17.3424 -17.0289 -17.0289 -17.0276 -17.0276 -7.7110 -7.7110 -7.7088 -7.7088 -6.2403 -6.2403 -6.2350 -6.2350 -5.1191 -5.1191 -5.1148 -5.1148 -4.8907 -4.8907 -4.8873 -4.8873 -2.5718 -2.5718 -2.5670 -2.5670 -2.2920 -2.2920 -2.2861 -2.2861 -1.8893 -1.8893 -1.8851 -1.8851 -1.6212 -1.6212 -1.6139 -1.6139 -1.3904 -1.3904 -1.3825 -1.3825 -0.2108 -0.2108 -0.2060 -0.2060 0.2135 0.2135 0.2197 0.2197 0.3289 0.3289 0.3359 0.3359 9.0974 9.0974 9.0990 9.0990 9.7684 9.7684 9.7699 9.7699 10.6435 10.6435 10.6477 10.6477 k = 0.5000 0.9603-0.2157 ( 6776 PWs) bands (ev): -20.0963 -20.0963 -20.0961 -20.0961 -17.6439 -17.6439 -17.6389 -17.6389 -17.3563 -17.3563 -17.3514 -17.3514 -17.0290 -17.0290 -17.0278 -17.0278 -7.7245 -7.7245 -7.7225 -7.7225 -6.2269 -6.2269 -6.2218 -6.2218 -5.1208 -5.1208 -5.1166 -5.1166 -4.8935 -4.8935 -4.8903 -4.8903 -2.5723 -2.5723 -2.5679 -2.5679 -2.2847 -2.2847 -2.2794 -2.2794 -1.8904 -1.8904 -1.8863 -1.8863 -1.6243 -1.6243 -1.6171 -1.6171 -1.3897 -1.3897 -1.3822 -1.3822 -0.2074 -0.2074 -0.2029 -0.2029 0.2128 0.2128 0.2180 0.2180 0.3377 0.3377 0.3439 0.3439 9.0738 9.0738 9.0753 9.0753 9.7435 9.7435 9.7450 9.7450 10.6583 10.6583 10.6625 10.6625 k = 0.5000 0.9475-0.2383 ( 6772 PWs) bands (ev): -20.0980 -20.0980 -20.0978 -20.0978 -17.6316 -17.6316 -17.6266 -17.6266 -17.3656 -17.3656 -17.3607 -17.3607 -17.0292 -17.0292 -17.0280 -17.0280 -7.7377 -7.7377 -7.7359 -7.7359 -6.2138 -6.2138 -6.2090 -6.2090 -5.1224 -5.1224 -5.1183 -5.1183 -4.8964 -4.8964 -4.8933 -4.8933 -2.5727 -2.5727 -2.5688 -2.5688 -2.2773 -2.2773 -2.2724 -2.2724 -1.8917 -1.8917 -1.8878 -1.8878 -1.6275 -1.6275 -1.6204 -1.6204 -1.3894 -1.3894 -1.3823 -1.3823 -0.2038 -0.2038 -0.1995 -0.1995 0.2114 0.2114 0.2156 0.2156 0.3473 0.3473 0.3528 0.3528 9.0509 9.0509 9.0523 9.0523 9.7201 9.7201 9.7215 9.7215 10.6702 10.6702 10.6743 10.6743 k = 0.5000 0.9347-0.2609 ( 6772 PWs) bands (ev): -20.0997 -20.0997 -20.0994 -20.0994 -17.6193 -17.6193 -17.6143 -17.6143 -17.3751 -17.3751 -17.3701 -17.3701 -17.0293 -17.0293 -17.0282 -17.0282 -7.7504 -7.7504 -7.7488 -7.7488 -6.2012 -6.2012 -6.1968 -6.1968 -5.1239 -5.1239 -5.1200 -5.1200 -4.8993 -4.8993 -4.8964 -4.8964 -2.5731 -2.5731 -2.5695 -2.5695 -2.2699 -2.2699 -2.2655 -2.2655 -1.8932 -1.8932 -1.8896 -1.8896 -1.6305 -1.6305 -1.6237 -1.6237 -1.3894 -1.3894 -1.3827 -1.3827 -0.2000 -0.2000 -0.1960 -0.1960 0.2095 0.2095 0.2129 0.2129 0.3573 0.3573 0.3623 0.3623 9.0291 9.0291 9.0304 9.0304 9.6984 9.6984 9.6997 9.6997 10.6795 10.6795 10.6835 10.6835 k = 0.5000 0.9218-0.2835 ( 6774 PWs) bands (ev): -20.1012 -20.1012 -20.1010 -20.1010 -17.6070 -17.6070 -17.6020 -17.6020 -17.3848 -17.3848 -17.3798 -17.3798 -17.0294 -17.0294 -17.0284 -17.0284 -7.7623 -7.7623 -7.7608 -7.7608 -6.1894 -6.1894 -6.1853 -6.1853 -5.1252 -5.1252 -5.1215 -5.1215 -4.9021 -4.9021 -4.8994 -4.8994 -2.5734 -2.5734 -2.5703 -2.5703 -2.2626 -2.2626 -2.2586 -2.2586 -1.8950 -1.8950 -1.8916 -1.8916 -1.6335 -1.6335 -1.6270 -1.6270 -1.3896 -1.3896 -1.3833 -1.3833 -0.1963 -0.1963 -0.1925 -0.1925 0.2073 0.2073 0.2101 0.2101 0.3673 0.3673 0.3718 0.3718 9.0088 9.0088 9.0100 9.0100 9.6785 9.6785 9.6798 9.6798 10.6868 10.6868 10.6905 10.6905 k = 0.5000 0.9090-0.3061 ( 6768 PWs) bands (ev): -20.1026 -20.1026 -20.1024 -20.1024 -17.5947 -17.5947 -17.5898 -17.5898 -17.3945 -17.3945 -17.3895 -17.3895 -17.0295 -17.0295 -17.0285 -17.0285 -7.7732 -7.7732 -7.7719 -7.7719 -6.1785 -6.1785 -6.1747 -6.1747 -5.1263 -5.1263 -5.1228 -5.1228 -4.9048 -4.9048 -4.9022 -4.9022 -2.5737 -2.5737 -2.5709 -2.5709 -2.2555 -2.2555 -2.2520 -2.2520 -1.8969 -1.8969 -1.8938 -1.8938 -1.6362 -1.6362 -1.6300 -1.6300 -1.3900 -1.3900 -1.3840 -1.3840 -0.1926 -0.1926 -0.1891 -0.1891 0.2050 0.2050 0.2072 0.2072 0.3769 0.3769 0.3810 0.3810 8.9903 8.9903 8.9913 8.9913 9.6607 9.6607 9.6619 9.6619 10.6923 10.6923 10.6958 10.6958 k = 0.5000 0.8962-0.3287 ( 6770 PWs) bands (ev): -20.1038 -20.1038 -20.1037 -20.1037 -17.5827 -17.5827 -17.5779 -17.5779 -17.4042 -17.4042 -17.3993 -17.3993 -17.0296 -17.0296 -17.0286 -17.0286 -7.7830 -7.7830 -7.7819 -7.7819 -6.1686 -6.1686 -6.1652 -6.1652 -5.1272 -5.1272 -5.1241 -5.1241 -4.9072 -4.9072 -4.9049 -4.9049 -2.5739 -2.5739 -2.5715 -2.5715 -2.2488 -2.2488 -2.2458 -2.2458 -1.8989 -1.8989 -1.8962 -1.8962 -1.6386 -1.6386 -1.6328 -1.6328 -1.3904 -1.3904 -1.3849 -1.3849 -0.1893 -0.1893 -0.1860 -0.1860 0.2028 0.2028 0.2046 0.2046 0.3858 0.3858 0.3897 0.3897 8.9737 8.9737 8.9745 8.9745 9.6450 9.6450 9.6461 9.6461 10.6965 10.6965 10.6997 10.6997 k = 0.5000 0.8834-0.3513 ( 6774 PWs) bands (ev): -20.1049 -20.1049 -20.1048 -20.1048 -17.5711 -17.5711 -17.5665 -17.5665 -17.4136 -17.4136 -17.4089 -17.4089 -17.0297 -17.0297 -17.0287 -17.0287 -7.7915 -7.7915 -7.7906 -7.7906 -6.1600 -6.1600 -6.1570 -6.1570 -5.1279 -5.1279 -5.1252 -5.1252 -4.9093 -4.9093 -4.9073 -4.9073 -2.5740 -2.5740 -2.5721 -2.5721 -2.2428 -2.2428 -2.2402 -2.2402 -1.9008 -1.9008 -1.8985 -1.8985 -1.6406 -1.6406 -1.6353 -1.6353 -1.3909 -1.3909 -1.3858 -1.3858 -0.1863 -0.1863 -0.1832 -0.1832 0.2008 0.2008 0.2021 0.2021 0.3938 0.3938 0.3975 0.3975 8.9593 8.9593 8.9600 8.9600 9.6315 9.6315 9.6326 9.6326 10.6997 10.6997 10.7026 10.7026 k = 0.5000 0.8706-0.3739 ( 6784 PWs) bands (ev): -20.1059 -20.1059 -20.1057 -20.1057 -17.5602 -17.5602 -17.5559 -17.5559 -17.4226 -17.4226 -17.4182 -17.4182 -17.0297 -17.0297 -17.0288 -17.0288 -7.7986 -7.7986 -7.7979 -7.7979 -6.1528 -6.1528 -6.1501 -6.1501 -5.1284 -5.1284 -5.1262 -5.1262 -4.9112 -4.9112 -4.9094 -4.9094 -2.5742 -2.5742 -2.5726 -2.5726 -2.2375 -2.2375 -2.2354 -2.2354 -1.9026 -1.9026 -1.9007 -1.9007 -1.6423 -1.6423 -1.6374 -1.6374 -1.3913 -1.3913 -1.3866 -1.3866 -0.1837 -0.1837 -0.1808 -0.1808 0.1991 0.1991 0.2001 0.2001 0.4007 0.4007 0.4041 0.4041 8.9473 8.9473 8.9479 8.9479 9.6204 9.6204 9.6215 9.6215 10.7020 10.7020 10.7046 10.7046 k = 0.5000 0.8578-0.3965 ( 6788 PWs) bands (ev): -20.1066 -20.1066 -20.1065 -20.1065 -17.5503 -17.5503 -17.5466 -17.5466 -17.4307 -17.4307 -17.4268 -17.4268 -17.0298 -17.0298 -17.0289 -17.0289 -7.8042 -7.8042 -7.8037 -7.8037 -6.1470 -6.1470 -6.1447 -6.1447 -5.1288 -5.1288 -5.1270 -5.1270 -4.9126 -4.9126 -4.9111 -4.9111 -2.5742 -2.5742 -2.5730 -2.5730 -2.2331 -2.2331 -2.2314 -2.2314 -1.9041 -1.9041 -1.9026 -1.9026 -1.6436 -1.6436 -1.6391 -1.6391 -1.3917 -1.3917 -1.3873 -1.3873 -0.1816 -0.1816 -0.1789 -0.1789 0.1976 0.1976 0.1984 0.1984 0.4063 0.4063 0.4095 0.4095 8.9378 8.9378 8.9382 8.9382 9.6117 9.6117 9.6127 9.6127 10.7037 10.7037 10.7060 10.7060 k = 0.5000 0.8450-0.4191 ( 6788 PWs) bands (ev): -20.1071 -20.1071 -20.1070 -20.1070 -17.5420 -17.5420 -17.5391 -17.5391 -17.4373 -17.4373 -17.4341 -17.4341 -17.0298 -17.0298 -17.0289 -17.0289 -7.8083 -7.8083 -7.8079 -7.8079 -6.1428 -6.1428 -6.1408 -6.1408 -5.1290 -5.1290 -5.1276 -5.1276 -4.9136 -4.9136 -4.9124 -4.9124 -2.5742 -2.5742 -2.5734 -2.5734 -2.2299 -2.2299 -2.2285 -2.2285 -1.9052 -1.9052 -1.9042 -1.9042 -1.6445 -1.6445 -1.6404 -1.6404 -1.3919 -1.3919 -1.3878 -1.3878 -0.1801 -0.1801 -0.1776 -0.1776 0.1966 0.1966 0.1971 0.1971 0.4103 0.4103 0.4135 0.4135 8.9310 8.9310 8.9312 8.9312 9.6055 9.6055 9.6065 9.6065 10.7048 10.7048 10.7068 10.7068 k = 0.5000 0.8322-0.4417 ( 6790 PWs) bands (ev): -20.1074 -20.1074 -20.1074 -20.1074 -17.5362 -17.5362 -17.5343 -17.5343 -17.4415 -17.4415 -17.4392 -17.4392 -17.0298 -17.0298 -17.0289 -17.0289 -7.8107 -7.8107 -7.8105 -7.8105 -6.1402 -6.1402 -6.1384 -6.1384 -5.1290 -5.1290 -5.1281 -5.1281 -4.9142 -4.9142 -4.9132 -4.9132 -2.5741 -2.5741 -2.5737 -2.5737 -2.2279 -2.2279 -2.2268 -2.2268 -1.9058 -1.9058 -1.9052 -1.9052 -1.6450 -1.6450 -1.6411 -1.6411 -1.3921 -1.3921 -1.3882 -1.3882 -0.1791 -0.1791 -0.1767 -0.1767 0.1960 0.1960 0.1963 0.1963 0.4128 0.4128 0.4159 0.4159 8.9268 8.9268 8.9270 8.9270 9.6017 9.6017 9.6027 9.6027 10.7055 10.7055 10.7073 10.7073 k = 0.5000 0.8194-0.4644 ( 6796 PWs) bands (ev): -20.1075 -20.1075 -20.1075 -20.1075 -17.5339 -17.5339 -17.5328 -17.5328 -17.4430 -17.4430 -17.4412 -17.4412 -17.0298 -17.0298 -17.0289 -17.0289 -7.8114 -7.8114 -7.8114 -7.8114 -6.1394 -6.1394 -6.1376 -6.1376 -5.1290 -5.1290 -5.1282 -5.1282 -4.9144 -4.9144 -4.9135 -4.9135 -2.5740 -2.5740 -2.5738 -2.5738 -2.2272 -2.2272 -2.2262 -2.2262 -1.9060 -1.9060 -1.9056 -1.9056 -1.6452 -1.6452 -1.6414 -1.6414 -1.3922 -1.3922 -1.3883 -1.3883 -0.1788 -0.1788 -0.1764 -0.1764 0.1958 0.1958 0.1960 0.1960 0.4136 0.4136 0.4168 0.4168 8.9255 8.9255 8.9255 8.9255 9.6005 9.6005 9.6014 9.6014 10.7057 10.7057 10.7075 10.7075 k = 0.5000 0.8194-0.4644 ( 6796 PWs) bands (ev): -20.1075 -20.1075 -20.1075 -20.1075 -17.5339 -17.5339 -17.5328 -17.5328 -17.4430 -17.4430 -17.4412 -17.4412 -17.0298 -17.0298 -17.0289 -17.0289 -7.8114 -7.8114 -7.8114 -7.8114 -6.1394 -6.1394 -6.1376 -6.1376 -5.1290 -5.1290 -5.1282 -5.1282 -4.9144 -4.9144 -4.9135 -4.9135 -2.5740 -2.5740 -2.5738 -2.5738 -2.2272 -2.2272 -2.2262 -2.2262 -1.9060 -1.9060 -1.9056 -1.9056 -1.6452 -1.6452 -1.6414 -1.6414 -1.3922 -1.3922 -1.3883 -1.3883 -0.1788 -0.1788 -0.1764 -0.1764 0.1958 0.1958 0.1960 0.1960 0.4136 0.4136 0.4168 0.4168 8.9255 8.9255 8.9255 8.9255 9.6005 9.6005 9.6014 9.6014 10.7057 10.7057 10.7075 10.7075 k = 0.4737 0.8194-0.4644 ( 6792 PWs) bands (ev): -20.1099 -20.1099 -20.1051 -20.1051 -17.5396 -17.5386 -17.5286 -17.5275 -17.4466 -17.4450 -17.4386 -17.4367 -17.0355 -17.0346 -17.0244 -17.0236 -7.8364 -7.8363 -7.7854 -7.7854 -6.1725 -6.1708 -6.1070 -6.1052 -5.1347 -5.1341 -5.1243 -5.1234 -4.9259 -4.9251 -4.9023 -4.9012 -2.5786 -2.5785 -2.5691 -2.5688 -2.2455 -2.2449 -2.2099 -2.2084 -1.9123 -1.9123 -1.9001 -1.8990 -1.6623 -1.6591 -1.6260 -1.6217 -1.3962 -1.3927 -1.3878 -1.3836 -0.1800 -0.1779 -0.1776 -0.1755 0.1815 0.1822 0.2077 0.2081 0.3913 0.3949 0.4368 0.4395 8.8939 8.8939 8.9574 8.9574 9.5589 9.5597 9.6447 9.6458 10.6996 10.7013 10.7127 10.7146 k = 0.4474 0.8194-0.4644 ( 6784 PWs) bands (ev): -20.1123 -20.1123 -20.1027 -20.1026 -17.5456 -17.5447 -17.5238 -17.5227 -17.4497 -17.4481 -17.4334 -17.4315 -17.0415 -17.0405 -17.0194 -17.0186 -7.8603 -7.8602 -7.7585 -7.7584 -6.2062 -6.2046 -6.0754 -6.0736 -5.1411 -5.1406 -5.1211 -5.1200 -4.9363 -4.9356 -4.8897 -4.8886 -2.5828 -2.5827 -2.5638 -2.5634 -2.2645 -2.2643 -2.1939 -2.1919 -1.9190 -1.9185 -1.8949 -1.8929 -1.6767 -1.6743 -1.6053 -1.6005 -1.4001 -1.3968 -1.3831 -1.3785 -0.1813 -0.1789 -0.1773 -0.1749 0.1655 0.1665 0.2168 0.2178 0.3704 0.3746 0.4603 0.4627 8.8629 8.8629 8.9891 8.9891 9.5205 9.5212 9.6913 9.6925 10.6947 10.6964 10.7206 10.7225 k = 0.4211 0.8194-0.4644 ( 6788 PWs) bands (ev): -20.1147 -20.1146 -20.1003 -20.1003 -17.5518 -17.5510 -17.5196 -17.5185 -17.4521 -17.4507 -17.4274 -17.4255 -17.0477 -17.0468 -17.0146 -17.0138 -7.8830 -7.8830 -7.7306 -7.7306 -6.2405 -6.2389 -6.0448 -6.0429 -5.1480 -5.1476 -5.1196 -5.1183 -4.9452 -4.9447 -4.8770 -4.8759 -2.5866 -2.5865 -2.5583 -2.5577 -2.2842 -2.2841 -2.1795 -2.1769 -1.9253 -1.9247 -1.8908 -1.8877 -1.6878 -1.6862 -1.5837 -1.5786 -1.4038 -1.4008 -1.3779 -1.3729 -0.1830 -0.1806 -0.1768 -0.1743 0.1479 0.1492 0.2228 0.2245 0.3516 0.3565 0.4839 0.4859 8.8328 8.8329 9.0197 9.0198 9.4859 9.4866 9.7398 9.7411 10.6908 10.6925 10.7291 10.7311 k = 0.3947 0.8194-0.4644 ( 6780 PWs) bands (ev): -20.1170 -20.1169 -20.0980 -20.0979 -17.5581 -17.5574 -17.5159 -17.5148 -17.4541 -17.4528 -17.4207 -17.4188 -17.0542 -17.0533 -17.0101 -17.0094 -7.9046 -7.9045 -7.7021 -7.7020 -6.2752 -6.2737 -6.0150 -6.0131 -5.1552 -5.1548 -5.1202 -5.1186 -4.9523 -4.9520 -4.8644 -4.8632 -2.5900 -2.5898 -2.5524 -2.5518 -2.3043 -2.3040 -2.1667 -2.1635 -1.9314 -1.9305 -1.8883 -1.8839 -1.6950 -1.6944 -1.5618 -1.5563 -1.4073 -1.4047 -1.3719 -1.3665 -0.1850 -0.1826 -0.1764 -0.1740 0.1290 0.1306 0.2249 0.2272 0.3362 0.3416 0.5072 0.5090 8.8040 8.8040 9.0484 9.0484 9.4562 9.4567 9.7901 9.7915 10.6882 10.6898 10.7379 10.7400 k = 0.3684 0.8194-0.4644 ( 6782 PWs) bands (ev): -20.1192 -20.1192 -20.0957 -20.0956 -17.5644 -17.5637 -17.5128 -17.5118 -17.4557 -17.4545 -17.4132 -17.4113 -17.0610 -17.0600 -17.0060 -17.0053 -7.9249 -7.9248 -7.6728 -7.6728 -6.3102 -6.3087 -5.9863 -5.9844 -5.1624 -5.1621 -5.1231 -5.1213 -4.9573 -4.9572 -4.8520 -4.8509 -2.5928 -2.5926 -2.5464 -2.5457 -2.3244 -2.3239 -2.1559 -2.1521 -1.9370 -1.9361 -1.8874 -1.8819 -1.6984 -1.6980 -1.5401 -1.5343 -1.4108 -1.4085 -1.3649 -1.3592 -0.1873 -0.1849 -0.1761 -0.1737 0.1090 0.1108 0.2225 0.2251 0.3250 0.3307 0.5301 0.5317 8.7764 8.7765 9.0736 9.0737 9.4324 9.4329 9.8418 9.8434 10.6865 10.6882 10.7465 10.7488 k = 0.3421 0.8194-0.4644 ( 6786 PWs) bands (ev): -20.1214 -20.1213 -20.0935 -20.0934 -17.5705 -17.5700 -17.5102 -17.5092 -17.4570 -17.4559 -17.4052 -17.4034 -17.0679 -17.0669 -17.0021 -17.0015 -7.9439 -7.9438 -7.6431 -7.6431 -6.3453 -6.3439 -5.9588 -5.9568 -5.1697 -5.1694 -5.1283 -5.1264 -4.9603 -4.9602 -4.8400 -4.8389 -2.5952 -2.5949 -2.5403 -2.5395 -2.3443 -2.3436 -2.1471 -2.1427 -1.9422 -1.9412 -1.8883 -1.8816 -1.6981 -1.6969 -1.5192 -1.5132 -1.4142 -1.4121 -1.3566 -1.3506 -0.1900 -0.1876 -0.1760 -0.1735 0.0880 0.0901 0.2157 0.2182 0.3185 0.3240 0.5523 0.5537 8.7504 8.7504 9.0938 9.0939 9.4163 9.4167 9.8948 9.8966 10.6858 10.6874 10.7547 10.7570 k = 0.3158 0.8194-0.4644 ( 6786 PWs) bands (ev): -20.1234 -20.1234 -20.0914 -20.0913 -17.5765 -17.5760 -17.5081 -17.5071 -17.4580 -17.4571 -17.3967 -17.3950 -17.0750 -17.0741 -16.9986 -16.9980 -7.9616 -7.9615 -7.6131 -7.6131 -6.3804 -6.3791 -5.9323 -5.9304 -5.1768 -5.1765 -5.1356 -5.1335 -4.9614 -4.9612 -4.8285 -4.8275 -2.5970 -2.5966 -2.5340 -2.5332 -2.3638 -2.3630 -2.1403 -2.1354 -1.9469 -1.9460 -1.8904 -1.8829 -1.6939 -1.6920 -1.4999 -1.4938 -1.4174 -1.4157 -1.3465 -1.3404 -0.1930 -0.1906 -0.1759 -0.1733 0.0664 0.0687 0.2055 0.2077 0.3156 0.3207 0.5736 0.5748 8.7260 8.7260 9.1071 9.1072 9.4094 9.4097 9.9488 9.9508 10.6857 10.6874 10.7618 10.7643 k = 0.2895 0.8194-0.4644 ( 6788 PWs) bands (ev): -20.1254 -20.1253 -20.0894 -20.0893 -17.5822 -17.5817 -17.5063 -17.5054 -17.4589 -17.4580 -17.3879 -17.3862 -17.0823 -17.0813 -16.9954 -16.9948 -7.9779 -7.9779 -7.5830 -7.5829 -6.4153 -6.4141 -5.9072 -5.9053 -5.1836 -5.1834 -5.1445 -5.1424 -4.9609 -4.9606 -4.8177 -4.8167 -2.5982 -2.5977 -2.5278 -2.5269 -2.3828 -2.3819 -2.1355 -2.1303 -1.9513 -1.9503 -1.8932 -1.8852 -1.6867 -1.6843 -1.4826 -1.4766 -1.4205 -1.4191 -1.3344 -1.3283 -0.1962 -0.1939 -0.1759 -0.1732 0.0443 0.0469 0.1934 0.1951 0.3150 0.3196 0.5938 0.5949 8.7032 8.7033 9.1127 9.1129 9.4121 9.4124 10.0037 10.0058 10.6861 10.6877 10.7673 10.7700 k = 0.2632 0.8194-0.4644 ( 6786 PWs) bands (ev): -20.1272 -20.1271 -20.0875 -20.0874 -17.5875 -17.5872 -17.5048 -17.5041 -17.4595 -17.4587 -17.3789 -17.3773 -17.0896 -17.0886 -16.9925 -16.9919 -7.9929 -7.9929 -7.5529 -7.5528 -6.4496 -6.4485 -5.8834 -5.8815 -5.1901 -5.1899 -5.1546 -5.1525 -4.9592 -4.9589 -4.8075 -4.8066 -2.5988 -2.5983 -2.5216 -2.5207 -2.4011 -2.4002 -2.1326 -2.1272 -1.9552 -1.9543 -1.8962 -1.8879 -1.6771 -1.6745 -1.4677 -1.4621 -1.4235 -1.4224 -1.3202 -1.3144 -0.1998 -0.1976 -0.1758 -0.1731 0.0222 0.0249 0.1806 0.1818 0.3156 0.3195 0.6129 0.6138 8.6823 8.6823 9.1113 9.1115 9.4238 9.4239 10.0590 10.0613 10.6867 10.6883 10.7706 10.7735 k = 0.2368 0.8194-0.4644 ( 6784 PWs) bands (ev): -20.1288 -20.1288 -20.0857 -20.0857 -17.5925 -17.5922 -17.5037 -17.5030 -17.4600 -17.4593 -17.3698 -17.3683 -17.0969 -17.0960 -16.9898 -16.9894 -8.0066 -8.0065 -7.5232 -7.5231 -6.4832 -6.4822 -5.8611 -5.8593 -5.1963 -5.1960 -5.1653 -5.1634 -4.9567 -4.9563 -4.7981 -4.7973 -2.5988 -2.5982 -2.5155 -2.5146 -2.4186 -2.4176 -2.1314 -2.1259 -1.9587 -1.9578 -1.8988 -1.8907 -1.6661 -1.6634 -1.4554 -1.4504 -1.4263 -1.4255 -1.3042 -1.2989 -0.2035 -0.2014 -0.1757 -0.1729 0.0002 0.0031 0.1679 0.1688 0.3166 0.3200 0.6306 0.6314 8.6632 8.6632 9.1046 9.1047 9.4421 9.4422 10.1147 10.1172 10.6871 10.6887 10.7711 10.7742 k = 0.2105 0.8194-0.4644 ( 6774 PWs) bands (ev): -20.1304 -20.1304 -20.0841 -20.0841 -17.5971 -17.5968 -17.5027 -17.5021 -17.4604 -17.4598 -17.3609 -17.3595 -17.1042 -17.1032 -16.9875 -16.9871 -8.0188 -8.0187 -7.4943 -7.4942 -6.5157 -6.5148 -5.8405 -5.8387 -5.2020 -5.2017 -5.1762 -5.1744 -4.9537 -4.9533 -4.7895 -4.7888 -2.5983 -2.5976 -2.5097 -2.5088 -2.4352 -2.4341 -2.1315 -2.1262 -1.9617 -1.9610 -1.9008 -1.8931 -1.6544 -1.6517 -1.4455 -1.4414 -1.4288 -1.4284 -1.2869 -1.2822 -0.2074 -0.2054 -0.1756 -0.1727 -0.0213 -0.0182 0.1561 0.1566 0.3176 0.3205 0.6468 0.6475 8.6459 8.6459 9.0947 9.0949 9.4646 9.4647 10.1704 10.1731 10.6871 10.6886 10.7681 10.7714 k = 0.1842 0.8194-0.4644 ( 6776 PWs) bands (ev): -20.1318 -20.1317 -20.0827 -20.0827 -17.6012 -17.6009 -17.5019 -17.5014 -17.4607 -17.4602 -17.3522 -17.3509 -17.1112 -17.1103 -16.9854 -16.9851 -8.0296 -8.0295 -7.4665 -7.4664 -6.5466 -6.5458 -5.8215 -5.8199 -5.2072 -5.2068 -5.1869 -5.1853 -4.9505 -4.9502 -4.7819 -4.7812 -2.5971 -2.5964 -2.5042 -2.5033 -2.4506 -2.4495 -2.1327 -2.1277 -1.9644 -1.9638 -1.9023 -1.8952 -1.6426 -1.6400 -1.4380 -1.4357 -1.4308 -1.4299 -1.2691 -1.2651 -0.2113 -0.2094 -0.1754 -0.1723 -0.0418 -0.0386 0.1453 0.1456 0.3185 0.3210 0.6614 0.6620 8.6307 8.6307 9.0835 9.0836 9.4890 9.4891 10.2258 10.2287 10.6864 10.6879 10.7611 10.7646 k = 0.1579 0.8194-0.4644 ( 6786 PWs) bands (ev): -20.1330 -20.1329 -20.0814 -20.0814 -17.6048 -17.6046 -17.5013 -17.5008 -17.4610 -17.4605 -17.3440 -17.3428 -17.1179 -17.1170 -16.9836 -16.9833 -8.0390 -8.0389 -7.4403 -7.4402 -6.5755 -6.5748 -5.8045 -5.8030 -5.2121 -5.2116 -5.1968 -5.1956 -4.9474 -4.9471 -4.7751 -4.7746 -2.5954 -2.5947 -2.4992 -2.4984 -2.4647 -2.4637 -2.1346 -2.1301 -1.9667 -1.9662 -1.9031 -1.8968 -1.6313 -1.6289 -1.4354 -1.4352 -1.4301 -1.4271 -1.2518 -1.2484 -0.2150 -0.2134 -0.1750 -0.1719 -0.0611 -0.0578 0.1358 0.1360 0.3192 0.3213 0.6743 0.6748 8.6173 8.6173 9.0722 9.0723 9.5135 9.5136 10.2806 10.2837 10.6850 10.6863 10.7497 10.7534 k = 0.1316 0.8194-0.4644 ( 6784 PWs) bands (ev): -20.1340 -20.1340 -20.0803 -20.0803 -17.6079 -17.6077 -17.5008 -17.5004 -17.4611 -17.4608 -17.3364 -17.3354 -17.1241 -17.1233 -16.9821 -16.9819 -8.0469 -8.0469 -7.4164 -7.4163 -6.6018 -6.6011 -5.7897 -5.7883 -5.2167 -5.2159 -5.2055 -5.2046 -4.9445 -4.9443 -4.7694 -4.7689 -2.5932 -2.5925 -2.4951 -2.4943 -2.4772 -2.4762 -2.1369 -2.1330 -1.9687 -1.9682 -1.9034 -1.8980 -1.6209 -1.6188 -1.4370 -1.4368 -1.4260 -1.4234 -1.2355 -1.2329 -0.2184 -0.2170 -0.1744 -0.1713 -0.0785 -0.0752 0.1277 0.1278 0.3198 0.3215 0.6853 0.6857 8.6060 8.6060 9.0616 9.0617 9.5367 9.5368 10.3344 10.3377 10.6829 10.6840 10.7335 10.7373 k = 0.1053 0.8194-0.4644 ( 6774 PWs) bands (ev): -20.1349 -20.1348 -20.0794 -20.0794 -17.6104 -17.6103 -17.5004 -17.5001 -17.4612 -17.4610 -17.3297 -17.3288 -17.1296 -17.1289 -16.9809 -16.9807 -8.0535 -8.0534 -7.3953 -7.3952 -6.6247 -6.6242 -5.7771 -5.7760 -5.2213 -5.2203 -5.2122 -5.2119 -4.9420 -4.9418 -4.7646 -4.7642 -2.5906 -2.5899 -2.4940 -2.4932 -2.4858 -2.4850 -2.1392 -2.1360 -1.9702 -1.9698 -1.9033 -1.8989 -1.6118 -1.6101 -1.4387 -1.4385 -1.4225 -1.4205 -1.2212 -1.2191 -0.2215 -0.2203 -0.1736 -0.1705 -0.0939 -0.0906 0.1210 0.1210 0.3202 0.3215 0.6945 0.6948 8.5967 8.5967 9.0524 9.0525 9.5574 9.5575 10.3868 10.3903 10.6802 10.6812 10.7125 10.7164 k = 0.0789 0.8194-0.4644 ( 6772 PWs) bands (ev): -20.1355 -20.1355 -20.0787 -20.0787 -17.6124 -17.6123 -17.5001 -17.4999 -17.4613 -17.4611 -17.3241 -17.3234 -17.1341 -17.1336 -16.9800 -16.9798 -8.0585 -8.0585 -7.3778 -7.3777 -6.6437 -6.6433 -5.7670 -5.7661 -5.2259 -5.2248 -5.2168 -5.2168 -4.9399 -4.9398 -4.7608 -4.7605 -2.5879 -2.5873 -2.5004 -2.4996 -2.4856 -2.4851 -2.1412 -2.1387 -1.9714 -1.9711 -1.9030 -1.8996 -1.6044 -1.6030 -1.4401 -1.4401 -1.4199 -1.4184 -1.2093 -1.2078 -0.2240 -0.2231 -0.1726 -0.1697 -0.1065 -0.1036 0.1158 0.1159 0.3204 0.3214 0.7017 0.7019 8.5895 8.5895 9.0450 9.0450 9.5746 9.5746 10.4373 10.4409 10.6771 10.6781 10.6872 10.6910 k = 0.0526 0.8194-0.4644 ( 6766 PWs) bands (ev): -20.1360 -20.1360 -20.0782 -20.0782 -17.6138 -17.6138 -17.4999 -17.4998 -17.4614 -17.4612 -17.3198 -17.3193 -17.1376 -17.1372 -16.9793 -16.9792 -8.0621 -8.0621 -7.3646 -7.3646 -6.6579 -6.6576 -5.7596 -5.7590 -5.2298 -5.2290 -5.2196 -5.2195 -4.9384 -4.9383 -4.7581 -4.7579 -2.5854 -2.5849 -2.5072 -2.5067 -2.4837 -2.4834 -2.1427 -2.1410 -1.9723 -1.9721 -1.9025 -1.9002 -1.5988 -1.5978 -1.4412 -1.4411 -1.4180 -1.4171 -1.2004 -1.1994 -0.2258 -0.2252 -0.1713 -0.1690 -0.1160 -0.1136 0.1121 0.1122 0.3207 0.3213 0.7069 0.7070 8.5843 8.5843 9.0395 9.0396 9.5875 9.5875 10.4852 10.4888 10.6564 10.6603 10.6756 10.6761 k = 0.0263 0.8194-0.4644 ( 6762 PWs) bands (ev): -20.1363 -20.1363 -20.0779 -20.0779 -17.6147 -17.6147 -17.4998 -17.4997 -17.4614 -17.4613 -17.3171 -17.3168 -17.1397 -17.1395 -16.9788 -16.9788 -8.0643 -8.0643 -7.3564 -7.3564 -6.6666 -6.6665 -5.7550 -5.7547 -5.2324 -5.2319 -5.2211 -5.2210 -4.9375 -4.9374 -4.7565 -4.7564 -2.5835 -2.5833 -2.5117 -2.5114 -2.4824 -2.4822 -2.1435 -2.1426 -1.9727 -1.9726 -1.9019 -1.9008 -1.5952 -1.5947 -1.4418 -1.4418 -1.4168 -1.4164 -1.1948 -1.1943 -0.2269 -0.2266 -0.1700 -0.1687 -0.1217 -0.1203 0.1099 0.1100 0.3208 0.3212 0.7100 0.7101 8.5812 8.5812 9.0362 9.0362 9.5955 9.5955 10.5286 10.5320 10.6242 10.6278 10.6738 10.6741 k = 0.0000 0.8194-0.4644 ( 6766 PWs) bands (ev): -20.1364 -20.1364 -20.0778 -20.0778 -17.6150 -17.6150 -17.4997 -17.4997 -17.4614 -17.4614 -17.3161 -17.3161 -17.1404 -17.1404 -16.9787 -16.9787 -8.0650 -8.0650 -7.3536 -7.3536 -6.6696 -6.6696 -5.7534 -5.7534 -5.2331 -5.2331 -5.2215 -5.2215 -4.9371 -4.9371 -4.7559 -4.7559 -2.5828 -2.5828 -2.5132 -2.5132 -2.4818 -2.4818 -2.1435 -2.1435 -1.9729 -1.9729 -1.9013 -1.9013 -1.5939 -1.5939 -1.4421 -1.4421 -1.4163 -1.4163 -1.1927 -1.1927 -0.2271 -0.2271 -0.1690 -0.1690 -0.1232 -0.1232 0.1092 0.1092 0.3210 0.3210 0.7111 0.7111 8.5802 8.5802 9.0351 9.0351 9.5982 9.5982 10.5559 10.5559 10.6040 10.6040 10.6733 10.6733 k = 0.0000 0.8194-0.4644 ( 6766 PWs) bands (ev): -20.1364 -20.1364 -20.0778 -20.0778 -17.6150 -17.6150 -17.4997 -17.4997 -17.4614 -17.4614 -17.3161 -17.3161 -17.1404 -17.1404 -16.9787 -16.9787 -8.0650 -8.0650 -7.3536 -7.3536 -6.6696 -6.6696 -5.7534 -5.7534 -5.2331 -5.2331 -5.2215 -5.2215 -4.9371 -4.9371 -4.7559 -4.7559 -2.5828 -2.5828 -2.5132 -2.5132 -2.4818 -2.4818 -2.1435 -2.1435 -1.9729 -1.9729 -1.9013 -1.9013 -1.5939 -1.5939 -1.4421 -1.4421 -1.4163 -1.4163 -1.1927 -1.1927 -0.2271 -0.2271 -0.1690 -0.1690 -0.1232 -0.1232 0.1092 0.1092 0.3210 0.3210 0.7111 0.7111 8.5802 8.5802 9.0351 9.0351 9.5982 9.5982 10.5559 10.5559 10.6040 10.6040 10.6733 10.6733 k = 0.0000 0.8322-0.4417 ( 6762 PWs) bands (ev): -20.1362 -20.1362 -20.0777 -20.0777 -17.6165 -17.6156 -17.5005 -17.5000 -17.4614 -17.4608 -17.3150 -17.3149 -17.1405 -17.1404 -16.9787 -16.9786 -8.0639 -8.0638 -7.3534 -7.3532 -6.6701 -6.6696 -5.7553 -5.7550 -5.2394 -5.2320 -5.2214 -5.2143 -4.9371 -4.9366 -4.7561 -4.7559 -2.5832 -2.5824 -2.5139 -2.5137 -2.4822 -2.4814 -2.1447 -2.1444 -1.9721 -1.9719 -1.9007 -1.9001 -1.5940 -1.5936 -1.4429 -1.4424 -1.4160 -1.4156 -1.1929 -1.1928 -0.2300 -0.2278 -0.1684 -0.1661 -0.1237 -0.1231 0.1079 0.1086 0.3209 0.3213 0.7102 0.7105 8.5817 8.5817 9.0371 9.0371 9.5983 9.5983 10.5560 10.5563 10.6055 10.6060 10.6743 10.6743 k = 0.0000 0.8450-0.4191 ( 6769 PWs) bands (ev): -20.1357 -20.1357 -20.0776 -20.0776 -17.6201 -17.6182 -17.5027 -17.5019 -17.4608 -17.4596 -17.3120 -17.3117 -17.1407 -17.1405 -16.9786 -16.9786 -8.0602 -8.0601 -7.3526 -7.3523 -6.6713 -6.6702 -5.7606 -5.7601 -5.2451 -5.2369 -5.2132 -5.2055 -4.9367 -4.9356 -4.7566 -4.7562 -2.5836 -2.5820 -2.5158 -2.5153 -2.4824 -2.4808 -2.1480 -2.1475 -1.9696 -1.9692 -1.8984 -1.8972 -1.5938 -1.5930 -1.4448 -1.4439 -1.4148 -1.4142 -1.1932 -1.1931 -0.2355 -0.2318 -0.1644 -0.1605 -0.1247 -0.1236 0.1047 0.1060 0.3211 0.3219 0.7078 0.7083 8.5862 8.5863 9.0432 9.0433 9.5987 9.5987 10.5567 10.5573 10.6105 10.6115 10.6772 10.6772 k = 0.0000 0.8578-0.3965 ( 6771 PWs) bands (ev): -20.1349 -20.1349 -20.0774 -20.0774 -17.6253 -17.6227 -17.5068 -17.5059 -17.4588 -17.4569 -17.3071 -17.3067 -17.1411 -17.1408 -16.9785 -16.9784 -8.0542 -8.0540 -7.3513 -7.3509 -6.6728 -6.6713 -5.7694 -5.7686 -5.2497 -5.2412 -5.2036 -5.1959 -4.9357 -4.9341 -4.7573 -4.7566 -2.5840 -2.5817 -2.5186 -2.5181 -2.4824 -2.4802 -2.1533 -2.1525 -1.9656 -1.9651 -1.8944 -1.8926 -1.5934 -1.5923 -1.4475 -1.4461 -1.4131 -1.4123 -1.1938 -1.1935 -0.2426 -0.2379 -0.1584 -0.1534 -0.1260 -0.1244 0.0995 0.1016 0.3215 0.3226 0.7039 0.7047 8.5937 8.5938 9.0534 9.0534 9.5992 9.5993 10.5579 10.5588 10.6189 10.6204 10.6821 10.6822 k = 0.0000 0.8706-0.3739 ( 6769 PWs) bands (ev): -20.1337 -20.1337 -20.0772 -20.0771 -17.6319 -17.6287 -17.5131 -17.5122 -17.4552 -17.4525 -17.3007 -17.3002 -17.1415 -17.1411 -16.9784 -16.9783 -8.0458 -8.0455 -7.3497 -7.3492 -6.6747 -6.6727 -5.7814 -5.7804 -5.2528 -5.2443 -5.1933 -5.1858 -4.9344 -4.9322 -4.7582 -4.7573 -2.5845 -2.5815 -2.5224 -2.5217 -2.4823 -2.4795 -2.1602 -2.1593 -1.9604 -1.9597 -1.8889 -1.8865 -1.5928 -1.5913 -1.4506 -1.4489 -1.4113 -1.4102 -1.1946 -1.1942 -0.2505 -0.2452 -0.1514 -0.1458 -0.1275 -0.1255 0.0927 0.0955 0.3220 0.3235 0.6987 0.6997 8.6042 8.6043 9.0675 9.0676 9.6001 9.6001 10.5596 10.5607 10.6305 10.6324 10.6889 10.6892 k = 0.0000 0.8834-0.3513 ( 6771 PWs) bands (ev): -20.1322 -20.1322 -20.0769 -20.0768 -17.6395 -17.6359 -17.5214 -17.5205 -17.4499 -17.4467 -17.2933 -17.2928 -17.1421 -17.1416 -16.9782 -16.9780 -8.0350 -8.0347 -7.3481 -7.3475 -6.6766 -6.6742 -5.7966 -5.7954 -5.2544 -5.2461 -5.1827 -5.1754 -4.9326 -4.9300 -4.7594 -4.7582 -2.5852 -2.5814 -2.5268 -2.5262 -2.4820 -2.4786 -2.1685 -2.1674 -1.9541 -1.9533 -1.8821 -1.8792 -1.5920 -1.5900 -1.4539 -1.4519 -1.4095 -1.4083 -1.1955 -1.1950 -0.2586 -0.2530 -0.1446 -0.1395 -0.1275 -0.1262 0.0843 0.0880 0.3226 0.3244 0.6923 0.6936 8.6176 8.6177 9.0855 9.0857 9.6011 9.6012 10.5615 10.5628 10.6450 10.6471 10.6979 10.6986 k = 0.0000 0.8962-0.3287 ( 6772 PWs) bands (ev): -20.1305 -20.1304 -20.0765 -20.0764 -17.6479 -17.6439 -17.5314 -17.5305 -17.4435 -17.4398 -17.2852 -17.2845 -17.1428 -17.1422 -16.9779 -16.9778 -8.0220 -8.0215 -7.3466 -7.3459 -6.6783 -6.6754 -5.8146 -5.8132 -5.2546 -5.2464 -5.1720 -5.1650 -4.9305 -4.9274 -4.7606 -4.7593 -2.5860 -2.5815 -2.5316 -2.5311 -2.4815 -2.4775 -2.1779 -2.1767 -1.9470 -1.9461 -1.8744 -1.8710 -1.5909 -1.5885 -1.4574 -1.4551 -1.4081 -1.4066 -1.1966 -1.1961 -0.2668 -0.2608 -0.1404 -0.1378 -0.1252 -0.1230 0.0748 0.0794 0.3230 0.3251 0.6850 0.6865 8.6338 8.6339 9.1074 9.1075 9.6023 9.6024 10.5633 10.5648 10.6617 10.6637 10.7095 10.7109 k = 0.0000 0.9090-0.3061 ( 6774 PWs) bands (ev): -20.1284 -20.1283 -20.0761 -20.0760 -17.6568 -17.6525 -17.5426 -17.5417 -17.4362 -17.4321 -17.2765 -17.2758 -17.1437 -17.1430 -16.9776 -16.9774 -8.0067 -8.0062 -7.3458 -7.3449 -6.6794 -6.6760 -5.8353 -5.8338 -5.2534 -5.2454 -5.1614 -5.1546 -4.9282 -4.9247 -4.7620 -4.7604 -2.5872 -2.5820 -2.5367 -2.5362 -2.4807 -2.4762 -2.1883 -2.1870 -1.9392 -1.9383 -1.8660 -1.8621 -1.5896 -1.5868 -1.4609 -1.4583 -1.4071 -1.4055 -1.1978 -1.1972 -0.2746 -0.2684 -0.1415 -0.1385 -0.1209 -0.1157 0.0647 0.0704 0.3230 0.3255 0.6770 0.6787 8.6526 8.6528 9.1329 9.1331 9.6037 9.6038 10.5648 10.5663 10.6796 10.6812 10.7244 10.7270 k = 0.0000 0.9218-0.2835 ( 6776 PWs) bands (ev): -20.1261 -20.1260 -20.0757 -20.0756 -17.6659 -17.6615 -17.5548 -17.5538 -17.4283 -17.4240 -17.2675 -17.2667 -17.1446 -17.1438 -16.9773 -16.9771 -7.9892 -7.9887 -7.3459 -7.3449 -6.6794 -6.6756 -5.8584 -5.8569 -5.2510 -5.2432 -5.1511 -5.1445 -4.9257 -4.9218 -4.7635 -4.7617 -2.5888 -2.5830 -2.5417 -2.5411 -2.4795 -2.4746 -2.1995 -2.1980 -1.9311 -1.9300 -1.8573 -1.8529 -1.5880 -1.5849 -1.4643 -1.4615 -1.4067 -1.4049 -1.1991 -1.1984 -0.2819 -0.2754 -0.1452 -0.1408 -0.1151 -0.1083 0.0546 0.0615 0.3224 0.3252 0.6686 0.6705 8.6740 8.6742 9.1619 9.1621 9.6052 9.6054 10.5652 10.5667 10.6972 10.6983 10.7438 10.7478 k = 0.0000 0.9347-0.2609 ( 6784 PWs) bands (ev): -20.1235 -20.1234 -20.0753 -20.0752 -17.6752 -17.6707 -17.5675 -17.5665 -17.4200 -17.4155 -17.2583 -17.2575 -17.1457 -17.1448 -16.9769 -16.9767 -7.9696 -7.9690 -7.3474 -7.3463 -6.6779 -6.6738 -5.8838 -5.8822 -5.2473 -5.2397 -5.1412 -5.1349 -4.9231 -4.9189 -4.7650 -4.7631 -2.5908 -2.5846 -2.5464 -2.5455 -2.4779 -2.4727 -2.2113 -2.2097 -1.9226 -1.9215 -1.8485 -1.8437 -1.5864 -1.5828 -1.4676 -1.4647 -1.4071 -1.4050 -1.2004 -1.1997 -0.2884 -0.2817 -0.1500 -0.1444 -0.1097 -0.1017 0.0456 0.0537 0.3209 0.3239 0.6602 0.6622 8.6977 8.6979 9.1943 9.1946 9.6068 9.6071 10.5635 10.5651 10.7136 10.7145 10.7682 10.7735 k = 0.0000 0.9475-0.2383 ( 6776 PWs) bands (ev): -20.1207 -20.1206 -20.0749 -20.0748 -17.6846 -17.6800 -17.5807 -17.5796 -17.4115 -17.4069 -17.2491 -17.2483 -17.1469 -17.1459 -16.9765 -16.9762 -7.9481 -7.9475 -7.3507 -7.3496 -6.6746 -6.6700 -5.9113 -5.9095 -5.2425 -5.2351 -5.1318 -5.1257 -4.9206 -4.9160 -4.7666 -4.7644 -2.5935 -2.5871 -2.5504 -2.5490 -2.4759 -2.4703 -2.2236 -2.2219 -1.9139 -1.9127 -1.8401 -1.8348 -1.5846 -1.5806 -1.4708 -1.4677 -1.4082 -1.4060 -1.2016 -1.2009 -0.2939 -0.2871 -0.1559 -0.1491 -0.1055 -0.0966 0.0387 0.0479 0.3182 0.3213 0.6522 0.6543 8.7236 8.7239 9.2299 9.2302 9.6086 9.6088 10.5585 10.5601 10.7286 10.7297 10.7973 10.8035 k = 0.0000 0.9603-0.2157 ( 6779 PWs) bands (ev): -20.1177 -20.1175 -20.0746 -20.0745 -17.6938 -17.6892 -17.5942 -17.5930 -17.4028 -17.3981 -17.2399 -17.2390 -17.1482 -17.1471 -16.9760 -16.9757 -7.9247 -7.9240 -7.3563 -7.3551 -6.6689 -6.6641 -5.9405 -5.9387 -5.2368 -5.2296 -5.1231 -5.1172 -4.9182 -4.9134 -4.7680 -4.7657 -2.5967 -2.5904 -2.5537 -2.5516 -2.4734 -2.4675 -2.2364 -2.2345 -1.9051 -1.9039 -1.8322 -1.8264 -1.5829 -1.5784 -1.4737 -1.4706 -1.4103 -1.4078 -1.2028 -1.2021 -0.2984 -0.2913 -0.1629 -0.1551 -0.1030 -0.0935 0.0349 0.0450 0.3138 0.3170 0.6449 0.6470 8.7514 8.7517 9.2685 9.2688 9.6103 9.6106 10.5478 10.5493 10.7427 10.7442 10.8302 10.8373 k = 0.0000 0.9731-0.1931 ( 6775 PWs) bands (ev): -20.1145 -20.1144 -20.0744 -20.0742 -17.7028 -17.6981 -17.6077 -17.6065 -17.3942 -17.3894 -17.2308 -17.2299 -17.1497 -17.1484 -16.9755 -16.9752 -7.8996 -7.8988 -7.3644 -7.3632 -6.6606 -6.6555 -5.9714 -5.9694 -5.2304 -5.2234 -5.1150 -5.1093 -4.9161 -4.9110 -4.7694 -4.7670 -2.6004 -2.5944 -2.5560 -2.5532 -2.4703 -2.4641 -2.2495 -2.2475 -1.8962 -1.8950 -1.8252 -1.8188 -1.5812 -1.5764 -1.4764 -1.4733 -1.4132 -1.4106 -1.2039 -1.2031 -0.3017 -0.2944 -0.1712 -0.1625 -0.1020 -0.0922 0.0350 0.0454 0.3076 0.3108 0.6386 0.6408 8.7809 8.7813 9.3100 9.3103 9.6120 9.6123 10.5282 10.5297 10.7556 10.7580 10.8661 10.8739 k = 0.0000 0.9859-0.1705 ( 6782 PWs) bands (ev): -20.1112 -20.1111 -20.0742 -20.0740 -17.7115 -17.7068 -17.6213 -17.6200 -17.3855 -17.3807 -17.2218 -17.2209 -17.1512 -17.1498 -16.9749 -16.9747 -7.8729 -7.8721 -7.3754 -7.3741 -6.6493 -6.6440 -6.0036 -6.0015 -5.2233 -5.2164 -5.1076 -5.1021 -4.9142 -4.9090 -4.7707 -4.7681 -2.6043 -2.5986 -2.5576 -2.5540 -2.4665 -2.4601 -2.2629 -2.2607 -1.8875 -1.8861 -1.8192 -1.8123 -1.5799 -1.5747 -1.4787 -1.4759 -1.4170 -1.4142 -1.2047 -1.2039 -0.3036 -0.2961 -0.1808 -0.1714 -0.1019 -0.0923 0.0388 0.0491 0.2993 0.3025 0.6337 0.6359 8.8117 8.8121 9.3539 9.3543 9.6137 9.6140 10.4960 10.4975 10.7668 10.7705 10.9039 10.9124 k = 0.0000 0.9987-0.1479 ( 6783 PWs) bands (ev): -20.1078 -20.1077 -20.0742 -20.0740 -17.7198 -17.7152 -17.6348 -17.6334 -17.3769 -17.3721 -17.2130 -17.2120 -17.1529 -17.1514 -16.9744 -16.9741 -7.8448 -7.8439 -7.3894 -7.3881 -6.6350 -6.6296 -6.0371 -6.0349 -5.2158 -5.2090 -5.1010 -5.0956 -4.9129 -4.9075 -4.7718 -4.7691 -2.6082 -2.6029 -2.5585 -2.5542 -2.4622 -2.4556 -2.2766 -2.2741 -1.8789 -1.8774 -1.8144 -1.8069 -1.5791 -1.5735 -1.4808 -1.4784 -1.4215 -1.4186 -1.2053 -1.2045 -0.3043 -0.2965 -0.1912 -0.1815 -0.1022 -0.0930 0.0458 0.0559 0.2888 0.2919 0.6304 0.6325 8.8434 8.8438 9.4003 9.4006 9.6153 9.6156 10.4485 10.4500 10.7754 10.7806 10.9070 10.9132 k = 0.0000 1.0115-0.1253 ( 6782 PWs) bands (ev): -20.1044 -20.1042 -20.0744 -20.0741 -17.7276 -17.7231 -17.6482 -17.6467 -17.3684 -17.3636 -17.2044 -17.2034 -17.1547 -17.1531 -16.9737 -16.9734 -7.8154 -7.8145 -7.4064 -7.4051 -6.6176 -6.6121 -6.0716 -6.0692 -5.2082 -5.2014 -5.0949 -5.0898 -4.9120 -4.9066 -4.7728 -4.7700 -2.6118 -2.6068 -2.5587 -2.5537 -2.4572 -2.4505 -2.2905 -2.2877 -1.8706 -1.8689 -1.8109 -1.8029 -1.5788 -1.5729 -1.4827 -1.4808 -1.4267 -1.4237 -1.2056 -1.2049 -0.3037 -0.2957 -0.2019 -0.1922 -0.1022 -0.0935 0.0554 0.0650 0.2762 0.2791 0.6287 0.6307 8.8755 8.8759 9.4486 9.4489 9.6169 9.6172 10.3861 10.3874 10.7799 10.7865 10.8801 10.8883 k = 0.0000 1.0243-0.1027 ( 6775 PWs) bands (ev): -20.1009 -20.1007 -20.0747 -20.0744 -17.7349 -17.7304 -17.6612 -17.6596 -17.3600 -17.3553 -17.1960 -17.1950 -17.1567 -17.1549 -16.9731 -16.9728 -7.7851 -7.7841 -7.4263 -7.4250 -6.5973 -6.5917 -6.1068 -6.1042 -5.2005 -5.1937 -5.0895 -5.0844 -4.9117 -4.9063 -4.7737 -4.7708 -2.6148 -2.6102 -2.5584 -2.5528 -2.4516 -2.4448 -2.3045 -2.3012 -1.8629 -1.8608 -1.8088 -1.8002 -1.5792 -1.5731 -1.4848 -1.4829 -1.4324 -1.4293 -1.2057 -1.2049 -0.3022 -0.2939 -0.2120 -0.2025 -0.1015 -0.0934 0.0668 0.0759 0.2615 0.2643 0.6286 0.6305 8.9072 8.9076 9.4983 9.4987 9.6186 9.6190 10.3124 10.3136 10.7804 10.7872 10.8703 10.8787 k = 0.0000 1.0371-0.0801 ( 6767 PWs) bands (ev): -20.0975 -20.0973 -20.0751 -20.0749 -17.7417 -17.7372 -17.6739 -17.6722 -17.3518 -17.3471 -17.1879 -17.1867 -17.1587 -17.1567 -16.9724 -16.9721 -7.7542 -7.7532 -7.4488 -7.4476 -6.5742 -6.5686 -6.1426 -6.1397 -5.1933 -5.1863 -5.0845 -5.0795 -4.9121 -4.9066 -4.7745 -4.7715 -2.6172 -2.6129 -2.5575 -2.5515 -2.4454 -2.4385 -2.3184 -2.3147 -1.8560 -1.8532 -1.8080 -1.7989 -1.5802 -1.5740 -1.4874 -1.4848 -1.4385 -1.4354 -1.2055 -1.2046 -0.3000 -0.2916 -0.2203 -0.2113 -0.1000 -0.0924 0.0794 0.0880 0.2452 0.2476 0.6300 0.6318 8.9376 8.9380 9.5478 9.5482 9.6219 9.6224 10.2322 10.2333 10.7785 10.7845 10.8716 10.8792 k = 0.0000 1.0499-0.0575 ( 6761 PWs) bands (ev): -20.0941 -20.0939 -20.0758 -20.0756 -17.7477 -17.7433 -17.6861 -17.6844 -17.3437 -17.3390 -17.1800 -17.1788 -17.1609 -17.1586 -16.9717 -16.9713 -7.7232 -7.7222 -7.4735 -7.4722 -6.5488 -6.5432 -6.1785 -6.1754 -5.1866 -5.1794 -5.0797 -5.0748 -4.9131 -4.9077 -4.7752 -4.7721 -2.6188 -2.6147 -2.5561 -2.5497 -2.4387 -2.4318 -2.3323 -2.3280 -1.8503 -1.8465 -1.8083 -1.7987 -1.5818 -1.5755 -1.4904 -1.4867 -1.4449 -1.4417 -1.2051 -1.2040 -0.2980 -0.2895 -0.2255 -0.2175 -0.0976 -0.0904 0.0927 0.1009 0.2278 0.2298 0.6328 0.6344 8.9655 8.9659 9.5889 9.5893 9.6346 9.6351 10.1503 10.1513 10.7758 10.7809 10.8778 10.8845 k = 0.0000 1.0627-0.0349 ( 6760 PWs) bands (ev): -20.0910 -20.0908 -20.0766 -20.0764 -17.7531 -17.7487 -17.6978 -17.6960 -17.3358 -17.3312 -17.1728 -17.1710 -17.1632 -17.1604 -16.9709 -16.9706 -7.6932 -7.6922 -7.4994 -7.4981 -6.5216 -6.5160 -6.2140 -6.2107 -5.1809 -5.1734 -5.0750 -5.0701 -4.9148 -4.9094 -4.7759 -4.7728 -2.6193 -2.6155 -2.5541 -2.5474 -2.4318 -2.4248 -2.3458 -2.3406 -1.8464 -1.8411 -1.8093 -1.7991 -1.5837 -1.5774 -1.4940 -1.4889 -1.4514 -1.4481 -1.2045 -1.2032 -0.2965 -0.2882 -0.2264 -0.2199 -0.0941 -0.0872 0.1057 0.1135 0.2100 0.2116 0.6367 0.6382 8.9893 8.9896 9.6036 9.6039 9.6744 9.6749 10.0705 10.0713 10.7728 10.7772 10.8852 10.8910 k = 0.0000 1.0756-0.0123 ( 6769 PWs) bands (ev): -20.0882 -20.0880 -20.0774 -20.0772 -17.7577 -17.7534 -17.7090 -17.7070 -17.3281 -17.3235 -17.1675 -17.1658 -17.1634 -17.1604 -16.9702 -16.9698 -7.6665 -7.6656 -7.5241 -7.5226 -6.4933 -6.4880 -6.2484 -6.2448 -5.1765 -5.1687 -5.0701 -5.0652 -4.9173 -4.9119 -4.7768 -4.7736 -2.6187 -2.6151 -2.5516 -2.5446 -2.4253 -2.4180 -2.3584 -2.3520 -1.8454 -1.8383 -1.8100 -1.7996 -1.5858 -1.5796 -1.4979 -1.4915 -1.4581 -1.4547 -1.2037 -1.2023 -0.2957 -0.2877 -0.2230 -0.2181 -0.0895 -0.0828 0.1167 0.1241 0.1935 0.1954 0.6416 0.6430 9.0066 9.0069 9.6050 9.6054 9.7275 9.7281 9.9966 9.9972 10.7693 10.7735 10.8917 10.8970 k = 0.0000 1.0884 0.0103 ( 6775 PWs) bands (ev): -20.0863 -20.0861 -20.0778 -20.0776 -17.7614 -17.7572 -17.7194 -17.7174 -17.3206 -17.3161 -17.1684 -17.1674 -17.1563 -17.1555 -16.9694 -16.9690 -7.6495 -7.6487 -7.5413 -7.5396 -6.4659 -6.4609 -6.2800 -6.2760 -5.1736 -5.1654 -5.0649 -5.0599 -4.9205 -4.9151 -4.7779 -4.7745 -2.6169 -2.6135 -2.5485 -2.5413 -2.4204 -2.4129 -2.3686 -2.3608 -1.8478 -1.8393 -1.8092 -1.7992 -1.5877 -1.5819 -1.5023 -1.4946 -1.4649 -1.4614 -1.2028 -1.2012 -0.2951 -0.2873 -0.2159 -0.2122 -0.0836 -0.0771 0.1209 0.1276 0.1830 0.1867 0.6474 0.6486 9.0148 9.0150 9.6030 9.6034 9.7840 9.7846 9.9324 9.9329 10.7651 10.7692 10.8960 10.9010 k = 0.5000 0.5504 0.9390 ( 6806 PWs) bands (ev): -20.0819 -20.0819 -20.0816 -20.0816 -17.7438 -17.7438 -17.7397 -17.7397 -17.2789 -17.2789 -17.2750 -17.2750 -17.0264 -17.0264 -17.0248 -17.0248 -7.6247 -7.6247 -7.6216 -7.6216 -6.3289 -6.3289 -6.3225 -6.3225 -5.1030 -5.1030 -5.0995 -5.0995 -4.8778 -4.8778 -4.8738 -4.8738 -2.5585 -2.5585 -2.5509 -2.5509 -2.3364 -2.3364 -2.3271 -2.3271 -1.8879 -1.8879 -1.8830 -1.8830 -1.6174 -1.6174 -1.6121 -1.6121 -1.4123 -1.4123 -1.4044 -1.4044 -0.2018 -0.2018 -0.1960 -0.1960 0.1826 0.1826 0.1902 0.1902 0.3266 0.3266 0.3341 0.3341 9.2462 9.2462 9.2486 9.2486 9.9949 9.9949 9.9977 9.9977 10.4379 10.4379 10.4430 10.4430 k = 0.5000 0.5242 0.9390 ( 6804 PWs) bands (ev): -20.0816 -20.0816 -20.0812 -20.0812 -17.7480 -17.7480 -17.7440 -17.7440 -17.2754 -17.2754 -17.2717 -17.2717 -17.0257 -17.0257 -17.0241 -17.0241 -7.6197 -7.6197 -7.6165 -7.6165 -6.3358 -6.3358 -6.3294 -6.3294 -5.1023 -5.1023 -5.0989 -5.0989 -4.8772 -4.8772 -4.8733 -4.8733 -2.5580 -2.5580 -2.5504 -2.5504 -2.3360 -2.3360 -2.3266 -2.3266 -1.8857 -1.8857 -1.8809 -1.8809 -1.6165 -1.6165 -1.6114 -1.6114 -1.4188 -1.4188 -1.4108 -1.4108 -0.2013 -0.2013 -0.1953 -0.1953 0.1795 0.1795 0.1863 0.1863 0.3314 0.3314 0.3384 0.3384 9.2375 9.2375 9.2399 9.2399 10.0006 10.0006 10.0034 10.0034 10.4445 10.4445 10.4496 10.4496 k = 0.5000 0.4980 0.9390 ( 6800 PWs) bands (ev): -20.0815 -20.0815 -20.0811 -20.0811 -17.7518 -17.7518 -17.7480 -17.7480 -17.2720 -17.2720 -17.2683 -17.2683 -17.0250 -17.0250 -17.0233 -17.0233 -7.6171 -7.6171 -7.6139 -7.6139 -6.3408 -6.3408 -6.3344 -6.3344 -5.1018 -5.1018 -5.0984 -5.0984 -4.8772 -4.8772 -4.8734 -4.8734 -2.5567 -2.5567 -2.5492 -2.5492 -2.3348 -2.3348 -2.3254 -2.3254 -1.8839 -1.8839 -1.8791 -1.8791 -1.6162 -1.6162 -1.6114 -1.6114 -1.4261 -1.4261 -1.4182 -1.4182 -0.1988 -0.1988 -0.1928 -0.1928 0.1761 0.1761 0.1821 0.1821 0.3376 0.3376 0.3442 0.3442 9.2228 9.2228 9.2252 9.2252 10.0005 10.0005 10.0033 10.0033 10.4611 10.4611 10.4660 10.4660 k = 0.5000 0.4718 0.9390 ( 6800 PWs) bands (ev): -20.0815 -20.0815 -20.0812 -20.0812 -17.7553 -17.7553 -17.7516 -17.7516 -17.2685 -17.2685 -17.2649 -17.2649 -17.0242 -17.0242 -17.0225 -17.0225 -7.6167 -7.6167 -7.6136 -7.6136 -6.3439 -6.3439 -6.3376 -6.3376 -5.1014 -5.1014 -5.0980 -5.0980 -4.8777 -4.8777 -4.8740 -4.8740 -2.5547 -2.5547 -2.5473 -2.5473 -2.3327 -2.3327 -2.3233 -2.3233 -1.8825 -1.8825 -1.8778 -1.8778 -1.6168 -1.6168 -1.6123 -1.6123 -1.4341 -1.4341 -1.4262 -1.4262 -0.1947 -0.1947 -0.1887 -0.1887 0.1724 0.1724 0.1776 0.1776 0.3452 0.3452 0.3514 0.3514 9.2038 9.2038 9.2061 9.2061 9.9935 9.9935 9.9962 9.9962 10.4871 10.4871 10.4918 10.4918 k = 0.5000 0.4456 0.9390 ( 6796 PWs) bands (ev): -20.0818 -20.0818 -20.0814 -20.0814 -17.7584 -17.7584 -17.7548 -17.7548 -17.2650 -17.2650 -17.2616 -17.2616 -17.0234 -17.0234 -17.0217 -17.0217 -7.6184 -7.6184 -7.6153 -7.6153 -6.3452 -6.3452 -6.3390 -6.3390 -5.1011 -5.1011 -5.0977 -5.0977 -4.8787 -4.8787 -4.8752 -4.8752 -2.5521 -2.5521 -2.5448 -2.5448 -2.3296 -2.3296 -2.3203 -2.3203 -1.8815 -1.8815 -1.8768 -1.8768 -1.6185 -1.6185 -1.6142 -1.6142 -1.4424 -1.4424 -1.4346 -1.4346 -0.1892 -0.1892 -0.1832 -0.1832 0.1684 0.1684 0.1729 0.1729 0.3542 0.3542 0.3601 0.3601 9.1818 9.1818 9.1840 9.1840 9.9801 9.9801 9.9826 9.9826 10.5207 10.5207 10.5252 10.5252 k = 0.5000 0.4193 0.9390 ( 6788 PWs) bands (ev): -20.0822 -20.0822 -20.0818 -20.0818 -17.7612 -17.7612 -17.7578 -17.7578 -17.2616 -17.2616 -17.2583 -17.2583 -17.0225 -17.0225 -17.0208 -17.0208 -7.6219 -7.6219 -7.6189 -7.6189 -6.3450 -6.3450 -6.3389 -6.3389 -5.1008 -5.1008 -5.0975 -5.0975 -4.8802 -4.8802 -4.8767 -4.8767 -2.5492 -2.5492 -2.5421 -2.5421 -2.3255 -2.3255 -2.3162 -2.3162 -1.8808 -1.8808 -1.8761 -1.8761 -1.6216 -1.6216 -1.6176 -1.6176 -1.4506 -1.4506 -1.4430 -1.4430 -0.1827 -0.1827 -0.1766 -0.1766 0.1642 0.1642 0.1680 0.1680 0.3644 0.3644 0.3700 0.3700 9.1578 9.1578 9.1599 9.1599 9.9616 9.9616 9.9639 9.9639 10.5592 10.5592 10.5636 10.5636 k = 0.5000 0.3931 0.9390 ( 6782 PWs) bands (ev): -20.0827 -20.0827 -20.0824 -20.0824 -17.7637 -17.7637 -17.7604 -17.7604 -17.2582 -17.2582 -17.2550 -17.2550 -17.0217 -17.0217 -17.0199 -17.0199 -7.6269 -7.6269 -7.6241 -7.6241 -6.3433 -6.3433 -6.3375 -6.3375 -5.1005 -5.1005 -5.0973 -5.0973 -4.8820 -4.8820 -4.8787 -4.8787 -2.5460 -2.5460 -2.5391 -2.5391 -2.3202 -2.3202 -2.3112 -2.3112 -1.8804 -1.8804 -1.8758 -1.8758 -1.6264 -1.6264 -1.6225 -1.6225 -1.4583 -1.4583 -1.4510 -1.4510 -0.1753 -0.1753 -0.1692 -0.1692 0.1597 0.1597 0.1630 0.1630 0.3758 0.3758 0.3811 0.3811 9.1326 9.1326 9.1347 9.1347 9.9395 9.9395 9.9417 9.9417 10.6001 10.6001 10.6043 10.6043 k = 0.5000 0.3669 0.9390 ( 6778 PWs) bands (ev): -20.0833 -20.0833 -20.0830 -20.0830 -17.7659 -17.7659 -17.7628 -17.7628 -17.2549 -17.2549 -17.2519 -17.2519 -17.0207 -17.0207 -17.0190 -17.0190 -7.6333 -7.6333 -7.6306 -7.6306 -6.3404 -6.3404 -6.3348 -6.3348 -5.1003 -5.1003 -5.0970 -5.0970 -4.8842 -4.8842 -4.8810 -4.8810 -2.5427 -2.5427 -2.5361 -2.5361 -2.3138 -2.3138 -2.3050 -2.3050 -1.8805 -1.8805 -1.8758 -1.8758 -1.6331 -1.6331 -1.6292 -1.6292 -1.4652 -1.4652 -1.4582 -1.4582 -0.1674 -0.1674 -0.1613 -0.1613 0.1551 0.1551 0.1579 0.1579 0.3881 0.3881 0.3932 0.3932 9.1070 9.1070 9.1090 9.1090 9.9153 9.9153 9.9174 9.9174 10.6412 10.6412 10.6453 10.6453 k = 0.5000 0.3407 0.9390 ( 6772 PWs) bands (ev): -20.0841 -20.0841 -20.0837 -20.0837 -17.7678 -17.7678 -17.7649 -17.7649 -17.2517 -17.2517 -17.2488 -17.2488 -17.0198 -17.0198 -17.0180 -17.0180 -7.6407 -7.6407 -7.6381 -7.6381 -6.3366 -6.3366 -6.3312 -6.3312 -5.1000 -5.1000 -5.0968 -5.0968 -4.8866 -4.8866 -4.8835 -4.8835 -2.5395 -2.5395 -2.5332 -2.5332 -2.3062 -2.3062 -2.2977 -2.2977 -1.8809 -1.8809 -1.8763 -1.8763 -1.6416 -1.6416 -1.6377 -1.6377 -1.4709 -1.4709 -1.4644 -1.4644 -0.1592 -0.1592 -0.1531 -0.1531 0.1503 0.1503 0.1529 0.1529 0.4012 0.4012 0.4061 0.4061 9.0815 9.0815 9.0834 9.0834 9.8900 9.8900 9.8920 9.8920 10.6807 10.6807 10.6848 10.6848 k = 0.5000 0.3145 0.9390 ( 6774 PWs) bands (ev): -20.0848 -20.0848 -20.0845 -20.0845 -17.7695 -17.7695 -17.7668 -17.7668 -17.2487 -17.2487 -17.2459 -17.2459 -17.0189 -17.0189 -17.0171 -17.0171 -7.6488 -7.6488 -7.6464 -7.6464 -6.3320 -6.3320 -6.3269 -6.3269 -5.0996 -5.0996 -5.0965 -5.0965 -4.8892 -4.8892 -4.8863 -4.8863 -2.5363 -2.5363 -2.5305 -2.5305 -2.2974 -2.2974 -2.2893 -2.2893 -1.8818 -1.8818 -1.8771 -1.8771 -1.6519 -1.6519 -1.6478 -1.6478 -1.4755 -1.4755 -1.4694 -1.4694 -0.1509 -0.1509 -0.1448 -0.1448 0.1454 0.1454 0.1479 0.1479 0.4148 0.4148 0.4196 0.4196 9.0564 9.0564 9.0582 9.0582 9.8646 9.8646 9.8664 9.8664 10.7174 10.7174 10.7215 10.7215 k = 0.5000 0.2883 0.9390 ( 6774 PWs) bands (ev): -20.0857 -20.0857 -20.0854 -20.0854 -17.7710 -17.7710 -17.7684 -17.7684 -17.2458 -17.2458 -17.2431 -17.2431 -17.0179 -17.0179 -17.0162 -17.0162 -7.6573 -7.6573 -7.6551 -7.6551 -6.3269 -6.3269 -6.3221 -6.3221 -5.0992 -5.0992 -5.0962 -5.0962 -4.8920 -4.8920 -4.8893 -4.8893 -2.5334 -2.5334 -2.5279 -2.5279 -2.2876 -2.2876 -2.2799 -2.2799 -1.8833 -1.8833 -1.8785 -1.8785 -1.6637 -1.6637 -1.6594 -1.6594 -1.4789 -1.4789 -1.4732 -1.4732 -0.1428 -0.1428 -0.1367 -0.1367 0.1405 0.1405 0.1431 0.1431 0.4288 0.4288 0.4333 0.4333 9.0322 9.0322 9.0339 9.0339 9.8395 9.8395 9.8413 9.8413 10.7506 10.7506 10.7546 10.7546 k = 0.5000 0.2621 0.9390 ( 6780 PWs) bands (ev): -20.0865 -20.0865 -20.0862 -20.0862 -17.7723 -17.7723 -17.7699 -17.7699 -17.2430 -17.2430 -17.2405 -17.2405 -17.0170 -17.0170 -17.0153 -17.0153 -7.6660 -7.6660 -7.6640 -7.6640 -6.3214 -6.3214 -6.3169 -6.3169 -5.0988 -5.0988 -5.0959 -5.0959 -4.8949 -4.8949 -4.8923 -4.8923 -2.5307 -2.5307 -2.5257 -2.5257 -2.2767 -2.2767 -2.2694 -2.2694 -1.8853 -1.8853 -1.8805 -1.8805 -1.6765 -1.6765 -1.6720 -1.6720 -1.4812 -1.4812 -1.4760 -1.4760 -0.1349 -0.1349 -0.1289 -0.1289 0.1357 0.1357 0.1384 0.1384 0.4427 0.4427 0.4471 0.4471 9.0092 9.0092 9.0108 9.0108 9.8155 9.8155 9.8171 9.8171 10.7798 10.7798 10.7838 10.7838 k = 0.5000 0.2359 0.9390 ( 6776 PWs) bands (ev): -20.0873 -20.0873 -20.0871 -20.0871 -17.7734 -17.7734 -17.7712 -17.7712 -17.2405 -17.2405 -17.2381 -17.2381 -17.0161 -17.0161 -17.0144 -17.0144 -7.6747 -7.6747 -7.6729 -7.6729 -6.3159 -6.3159 -6.3117 -6.3117 -5.0983 -5.0983 -5.0955 -5.0955 -4.8978 -4.8978 -4.8954 -4.8954 -2.5284 -2.5284 -2.5238 -2.5238 -2.2651 -2.2651 -2.2582 -2.2582 -1.8880 -1.8880 -1.8831 -1.8831 -1.6897 -1.6897 -1.6851 -1.6851 -1.4826 -1.4826 -1.4780 -1.4780 -0.1275 -0.1275 -0.1215 -0.1215 0.1311 0.1311 0.1340 0.1340 0.4565 0.4565 0.4607 0.4607 8.9876 8.9876 8.9890 8.9890 9.7928 9.7928 9.7944 9.7944 10.8051 10.8051 10.8089 10.8089 k = 0.5000 0.2097 0.9390 ( 6776 PWs) bands (ev): -20.0881 -20.0881 -20.0879 -20.0879 -17.7743 -17.7743 -17.7723 -17.7723 -17.2382 -17.2382 -17.2360 -17.2360 -17.0153 -17.0153 -17.0136 -17.0136 -7.6831 -7.6831 -7.6815 -7.6815 -6.3104 -6.3104 -6.3065 -6.3065 -5.0977 -5.0977 -5.0951 -5.0951 -4.9006 -4.9006 -4.8984 -4.8984 -2.5263 -2.5263 -2.5222 -2.5222 -2.2528 -2.2528 -2.2464 -2.2464 -1.8914 -1.8914 -1.8865 -1.8865 -1.7029 -1.7029 -1.6983 -1.6983 -1.4833 -1.4833 -1.4792 -1.4792 -0.1206 -0.1206 -0.1146 -0.1146 0.1266 0.1266 0.1297 0.1297 0.4697 0.4697 0.4737 0.4737 8.9677 8.9677 8.9690 8.9690 9.7719 9.7719 9.7733 9.7733 10.8265 10.8265 10.8302 10.8302 k = 0.5000 0.1835 0.9390 ( 6776 PWs) bands (ev): -20.0888 -20.0888 -20.0886 -20.0886 -17.7750 -17.7750 -17.7733 -17.7733 -17.2361 -17.2361 -17.2340 -17.2340 -17.0145 -17.0145 -17.0128 -17.0128 -7.6910 -7.6910 -7.6895 -7.6895 -6.3051 -6.3051 -6.3015 -6.3015 -5.0971 -5.0971 -5.0947 -5.0947 -4.9033 -4.9033 -4.9013 -4.9013 -2.5246 -2.5246 -2.5208 -2.5208 -2.2402 -2.2402 -2.2342 -2.2342 -1.8956 -1.8956 -1.8906 -1.8906 -1.7155 -1.7155 -1.7110 -1.7110 -1.4836 -1.4836 -1.4799 -1.4799 -0.1143 -0.1143 -0.1084 -0.1084 0.1225 0.1225 0.1258 0.1258 0.4822 0.4822 0.4860 0.4860 8.9496 8.9496 8.9508 8.9508 9.7529 9.7529 9.7543 9.7543 10.8444 10.8444 10.8478 10.8478 k = 0.5000 0.1573 0.9390 ( 6772 PWs) bands (ev): -20.0895 -20.0895 -20.0893 -20.0893 -17.7756 -17.7756 -17.7741 -17.7741 -17.2342 -17.2342 -17.2323 -17.2323 -17.0138 -17.0138 -17.0122 -17.0122 -7.6981 -7.6981 -7.6969 -7.6969 -6.3002 -6.3002 -6.2969 -6.2969 -5.0965 -5.0965 -5.0943 -5.0943 -4.9058 -4.9058 -4.9040 -4.9040 -2.5231 -2.5231 -2.5198 -2.5198 -2.2276 -2.2276 -2.2220 -2.2220 -1.9005 -1.9005 -1.8955 -1.8955 -1.7270 -1.7270 -1.7227 -1.7227 -1.4834 -1.4834 -1.4803 -1.4803 -0.1087 -0.1087 -0.1028 -0.1028 0.1187 0.1187 0.1223 0.1223 0.4936 0.4936 0.4972 0.4972 8.9336 8.9336 8.9346 8.9346 9.7361 9.7361 9.7374 9.7374 10.8592 10.8592 10.8623 10.8623 k = 0.5000 0.1310 0.9390 ( 6776 PWs) bands (ev): -20.0901 -20.0901 -20.0900 -20.0900 -17.7761 -17.7761 -17.7748 -17.7748 -17.2327 -17.2327 -17.2308 -17.2308 -17.0132 -17.0132 -17.0116 -17.0116 -7.7045 -7.7045 -7.7034 -7.7034 -6.2958 -6.2958 -6.2929 -6.2929 -5.0959 -5.0959 -5.0939 -5.0939 -4.9080 -4.9080 -4.9064 -4.9064 -2.5219 -2.5219 -2.5189 -2.5189 -2.2154 -2.2154 -2.2102 -2.2102 -1.9059 -1.9059 -1.9010 -1.9010 -1.7371 -1.7371 -1.7331 -1.7331 -1.4831 -1.4831 -1.4805 -1.4805 -0.1039 -0.1039 -0.0980 -0.0980 0.1154 0.1154 0.1191 0.1191 0.5037 0.5037 0.5071 0.5071 8.9198 8.9198 8.9207 8.9207 9.7217 9.7217 9.7228 9.7228 10.8710 10.8710 10.8738 10.8738 k = 0.5000 0.1048 0.9390 ( 6772 PWs) bands (ev): -20.0906 -20.0906 -20.0905 -20.0905 -17.7764 -17.7764 -17.7754 -17.7754 -17.2313 -17.2313 -17.2296 -17.2296 -17.0127 -17.0127 -17.0111 -17.0111 -7.7098 -7.7098 -7.7090 -7.7090 -6.2920 -6.2920 -6.2894 -6.2894 -5.0953 -5.0953 -5.0936 -5.0936 -4.9099 -4.9099 -4.9085 -4.9085 -2.5210 -2.5210 -2.5183 -2.5183 -2.2042 -2.2042 -2.1994 -2.1994 -1.9115 -1.9115 -1.9067 -1.9067 -1.7454 -1.7454 -1.7418 -1.7418 -1.4827 -1.4827 -1.4805 -1.4805 -0.0998 -0.0998 -0.0940 -0.0940 0.1126 0.1126 0.1165 0.1165 0.5122 0.5122 0.5155 0.5155 8.9083 8.9083 8.9091 8.9091 9.7097 9.7097 9.7108 9.7108 10.8804 10.8804 10.8828 10.8828 k = 0.5000 0.0786 0.9390 ( 6776 PWs) bands (ev): -20.0910 -20.0910 -20.0909 -20.0909 -17.7767 -17.7767 -17.7759 -17.7759 -17.2303 -17.2303 -17.2286 -17.2286 -17.0123 -17.0123 -17.0107 -17.0107 -7.7141 -7.7141 -7.7135 -7.7135 -6.2890 -6.2890 -6.2866 -6.2866 -5.0948 -5.0948 -5.0934 -5.0934 -4.9114 -4.9114 -4.9102 -4.9102 -2.5202 -2.5202 -2.5179 -2.5179 -2.1945 -2.1945 -2.1900 -2.1900 -1.9169 -1.9169 -1.9121 -1.9121 -1.7519 -1.7519 -1.7486 -1.7486 -1.4822 -1.4822 -1.4805 -1.4805 -0.0966 -0.0966 -0.0908 -0.0908 0.1103 0.1103 0.1143 0.1143 0.5191 0.5191 0.5222 0.5222 8.8993 8.8993 8.8999 8.8999 9.7002 9.7002 9.7013 9.7013 10.8874 10.8874 10.8895 10.8895 k = 0.5000 0.0524 0.9390 ( 6788 PWs) bands (ev): -20.0913 -20.0913 -20.0912 -20.0912 -17.7768 -17.7768 -17.7763 -17.7763 -17.2296 -17.2296 -17.2280 -17.2280 -17.0120 -17.0120 -17.0104 -17.0104 -7.7171 -7.7171 -7.7167 -7.7167 -6.2868 -6.2868 -6.2846 -6.2846 -5.0944 -5.0944 -5.0932 -5.0932 -4.9126 -4.9126 -4.9115 -4.9115 -2.5197 -2.5197 -2.5176 -2.5176 -2.1869 -2.1869 -2.1827 -2.1827 -1.9214 -1.9214 -1.9168 -1.9168 -1.7564 -1.7564 -1.7536 -1.7536 -1.4818 -1.4818 -1.4805 -1.4805 -0.0943 -0.0943 -0.0885 -0.0885 0.1087 0.1087 0.1127 0.1127 0.5241 0.5241 0.5271 0.5271 8.8928 8.8928 8.8933 8.8933 9.6935 9.6935 9.6945 9.6945 10.8924 10.8924 10.8941 10.8941 k = 0.5000 0.0262 0.9390 ( 6792 PWs) bands (ev): -20.0915 -20.0915 -20.0914 -20.0914 -17.7768 -17.7768 -17.7765 -17.7765 -17.2291 -17.2291 -17.2275 -17.2275 -17.0118 -17.0118 -17.0102 -17.0102 -7.7190 -7.7190 -7.7188 -7.7188 -6.2854 -6.2854 -6.2834 -6.2834 -5.0942 -5.0942 -5.0931 -5.0931 -4.9132 -4.9132 -4.9123 -4.9123 -2.5194 -2.5194 -2.5174 -2.5174 -2.1820 -2.1820 -2.1780 -2.1780 -1.9244 -1.9244 -1.9199 -1.9199 -1.7591 -1.7591 -1.7565 -1.7565 -1.4815 -1.4815 -1.4805 -1.4805 -0.0929 -0.0929 -0.0872 -0.0872 0.1077 0.1077 0.1118 0.1118 0.5272 0.5272 0.5301 0.5301 8.8888 8.8888 8.8892 8.8892 9.6894 9.6894 9.6904 9.6904 10.8953 10.8953 10.8968 10.8968 k = 0.5000-0.0000 0.9390 ( 6792 PWs) bands (ev): -20.0915 -20.0915 -20.0915 -20.0915 -17.7768 -17.7768 -17.7767 -17.7767 -17.2290 -17.2290 -17.2274 -17.2274 -17.0117 -17.0117 -17.0101 -17.0101 -7.7195 -7.7195 -7.7195 -7.7195 -6.2849 -6.2849 -6.2830 -6.2830 -5.0941 -5.0941 -5.0931 -5.0931 -4.9134 -4.9134 -4.9126 -4.9126 -2.5193 -2.5193 -2.5174 -2.5174 -2.1803 -2.1803 -2.1764 -2.1764 -1.9254 -1.9254 -1.9209 -1.9209 -1.7600 -1.7600 -1.7575 -1.7575 -1.4814 -1.4814 -1.4805 -1.4805 -0.0925 -0.0925 -0.0867 -0.0867 0.1073 0.1073 0.1114 0.1114 0.5282 0.5282 0.5311 0.5311 8.8875 8.8875 8.8879 8.8879 9.6880 9.6880 9.6890 9.6890 10.8963 10.8963 10.8977 10.8977 k = 0.5000-0.0000 0.9390 ( 6792 PWs) bands (ev): -20.0915 -20.0915 -20.0915 -20.0915 -17.7768 -17.7768 -17.7767 -17.7767 -17.2290 -17.2290 -17.2274 -17.2274 -17.0117 -17.0117 -17.0101 -17.0101 -7.7195 -7.7195 -7.7195 -7.7195 -6.2849 -6.2849 -6.2830 -6.2830 -5.0941 -5.0941 -5.0931 -5.0931 -4.9134 -4.9134 -4.9126 -4.9126 -2.5193 -2.5193 -2.5174 -2.5174 -2.1803 -2.1803 -2.1764 -2.1764 -1.9254 -1.9254 -1.9209 -1.9209 -1.7600 -1.7600 -1.7575 -1.7575 -1.4814 -1.4814 -1.4805 -1.4805 -0.0925 -0.0925 -0.0867 -0.0867 0.1073 0.1073 0.1114 0.1114 0.5282 0.5282 0.5311 0.5311 8.8875 8.8875 8.8879 8.8879 9.6880 9.6880 9.6890 9.6890 10.8963 10.8963 10.8977 10.8977 k = 0.5000-0.0000 0.9129 ( 6790 PWs) bands (ev): -20.0918 -20.0918 -20.0917 -20.0917 -17.7763 -17.7763 -17.7761 -17.7761 -17.2290 -17.2290 -17.2274 -17.2274 -17.0117 -17.0117 -17.0101 -17.0101 -7.7220 -7.7220 -7.7219 -7.7219 -6.2831 -6.2831 -6.2811 -6.2811 -5.0945 -5.0945 -5.0934 -5.0934 -4.9140 -4.9140 -4.9131 -4.9131 -2.5186 -2.5186 -2.5166 -2.5166 -2.1801 -2.1801 -2.1761 -2.1761 -1.9259 -1.9259 -1.9215 -1.9215 -1.7597 -1.7597 -1.7571 -1.7571 -1.4810 -1.4810 -1.4800 -1.4800 -0.0914 -0.0914 -0.0856 -0.0856 0.1079 0.1079 0.1120 0.1120 0.5284 0.5284 0.5313 0.5313 8.8797 8.8797 8.8801 8.8801 9.6951 9.6951 9.6961 9.6961 10.8959 10.8959 10.8974 10.8974 k = 0.5000-0.0000 0.8868 ( 6790 PWs) bands (ev): -20.0926 -20.0926 -20.0925 -20.0925 -17.7747 -17.7747 -17.7744 -17.7744 -17.2291 -17.2291 -17.2275 -17.2275 -17.0117 -17.0117 -17.0101 -17.0101 -7.7291 -7.7291 -7.7290 -7.7290 -6.2778 -6.2778 -6.2757 -6.2757 -5.0956 -5.0956 -5.0943 -5.0943 -4.9157 -4.9157 -4.9148 -4.9148 -2.5163 -2.5163 -2.5143 -2.5143 -2.1793 -2.1793 -2.1753 -2.1753 -1.9275 -1.9275 -1.9231 -1.9231 -1.7588 -1.7588 -1.7559 -1.7559 -1.4797 -1.4797 -1.4785 -1.4785 -0.0884 -0.0884 -0.0825 -0.0825 0.1095 0.1095 0.1138 0.1138 0.5289 0.5289 0.5318 0.5318 8.8572 8.8572 8.8576 8.8576 9.7153 9.7153 9.7164 9.7164 10.8949 10.8949 10.8965 10.8965 k = 0.5000-0.0000 0.8607 ( 6794 PWs) bands (ev): -20.0939 -20.0939 -20.0938 -20.0938 -17.7720 -17.7720 -17.7717 -17.7717 -17.2293 -17.2293 -17.2277 -17.2277 -17.0116 -17.0116 -17.0100 -17.0100 -7.7409 -7.7409 -7.7408 -7.7408 -6.2690 -6.2690 -6.2669 -6.2669 -5.0974 -5.0974 -5.0959 -5.0959 -4.9186 -4.9186 -4.9175 -4.9175 -2.5126 -2.5126 -2.5105 -2.5105 -2.1781 -2.1781 -2.1740 -2.1740 -1.9300 -1.9300 -1.9257 -1.9257 -1.7572 -1.7572 -1.7539 -1.7539 -1.4777 -1.4777 -1.4761 -1.4761 -0.0834 -0.0834 -0.0774 -0.0774 0.1122 0.1122 0.1168 0.1168 0.5298 0.5298 0.5328 0.5328 8.8221 8.8221 8.8225 8.8225 9.7466 9.7466 9.7478 9.7478 10.8932 10.8932 10.8950 10.8950 k = 0.5000-0.0000 0.8347 ( 6794 PWs) bands (ev): -20.0957 -20.0957 -20.0956 -20.0956 -17.7683 -17.7683 -17.7678 -17.7678 -17.2296 -17.2296 -17.2279 -17.2279 -17.0115 -17.0115 -17.0099 -17.0099 -7.7571 -7.7571 -7.7569 -7.7569 -6.2570 -6.2570 -6.2548 -6.2548 -5.1000 -5.1000 -5.0982 -5.0982 -4.9225 -4.9225 -4.9212 -4.9212 -2.5074 -2.5074 -2.5053 -2.5053 -2.1763 -2.1763 -2.1722 -2.1722 -1.9334 -1.9334 -1.9292 -1.9292 -1.7548 -1.7548 -1.7512 -1.7512 -1.4748 -1.4748 -1.4730 -1.4730 -0.0766 -0.0766 -0.0704 -0.0704 0.1160 0.1160 0.1210 0.1210 0.5312 0.5312 0.5341 0.5341 8.7770 8.7770 8.7774 8.7774 9.7862 9.7862 9.7876 9.7876 10.8909 10.8909 10.8928 10.8928 k = 0.5000-0.0000 0.8086 ( 6790 PWs) bands (ev): -20.0980 -20.0980 -20.0979 -20.0979 -17.7635 -17.7635 -17.7630 -17.7630 -17.2299 -17.2299 -17.2283 -17.2283 -17.0114 -17.0114 -17.0097 -17.0097 -7.7772 -7.7772 -7.7770 -7.7770 -6.2421 -6.2421 -6.2398 -6.2398 -5.1031 -5.1031 -5.1011 -5.1011 -4.9275 -4.9275 -4.9260 -4.9260 -2.5009 -2.5009 -2.4988 -2.4988 -2.1742 -2.1742 -2.1700 -2.1700 -1.9376 -1.9376 -1.9335 -1.9335 -1.7517 -1.7517 -1.7476 -1.7476 -1.4713 -1.4713 -1.4692 -1.4692 -0.0680 -0.0680 -0.0616 -0.0616 0.1210 0.1210 0.1264 0.1264 0.5329 0.5329 0.5359 0.5359 8.7246 8.7246 8.7249 8.7249 9.8316 9.8316 9.8331 9.8331 10.8878 10.8878 10.8900 10.8900 k = 0.5000-0.0000 0.7825 ( 6792 PWs) bands (ev): -20.1007 -20.1007 -20.1007 -20.1007 -17.7577 -17.7577 -17.7571 -17.7571 -17.2304 -17.2304 -17.2286 -17.2286 -17.0113 -17.0113 -17.0096 -17.0096 -7.8010 -7.8010 -7.8008 -7.8008 -6.2246 -6.2246 -6.2221 -6.2221 -5.1070 -5.1070 -5.1046 -5.1046 -4.9336 -4.9336 -4.9318 -4.9318 -2.4931 -2.4931 -2.4910 -2.4910 -2.1716 -2.1716 -2.1673 -2.1673 -1.9424 -1.9424 -1.9385 -1.9385 -1.7477 -1.7477 -1.7433 -1.7433 -1.4673 -1.4673 -1.4649 -1.4649 -0.0580 -0.0580 -0.0513 -0.0513 0.1273 0.1273 0.1332 0.1332 0.5351 0.5351 0.5381 0.5381 8.6667 8.6667 8.6671 8.6671 9.8803 9.8803 9.8820 9.8820 10.8840 10.8840 10.8864 10.8864 k = 0.5000-0.0000 0.7564 ( 6796 PWs) bands (ev): -20.1039 -20.1039 -20.1039 -20.1039 -17.7510 -17.7510 -17.7503 -17.7503 -17.2309 -17.2309 -17.2291 -17.2291 -17.0111 -17.0111 -17.0094 -17.0094 -7.8281 -7.8281 -7.8278 -7.8278 -6.2049 -6.2049 -6.2022 -6.2022 -5.1114 -5.1114 -5.1088 -5.1088 -4.9405 -4.9405 -4.9386 -4.9386 -2.4842 -2.4842 -2.4820 -2.4820 -2.1686 -2.1686 -2.1642 -2.1642 -1.9479 -1.9479 -1.9440 -1.9440 -1.7429 -1.7429 -1.7382 -1.7382 -1.4628 -1.4628 -1.4601 -1.4601 -0.0466 -0.0466 -0.0396 -0.0396 0.1349 0.1349 0.1412 0.1412 0.5378 0.5378 0.5408 0.5408 8.6051 8.6051 8.6055 8.6055 9.9308 9.9308 9.9327 9.9327 10.8796 10.8796 10.8822 10.8822 k = 0.5000-0.0000 0.7303 ( 6796 PWs) bands (ev): -20.1075 -20.1075 -20.1075 -20.1075 -17.7434 -17.7434 -17.7426 -17.7426 -17.2315 -17.2315 -17.2297 -17.2297 -17.0109 -17.0109 -17.0091 -17.0091 -7.8579 -7.8579 -7.8575 -7.8575 -6.1832 -6.1832 -6.1805 -6.1805 -5.1164 -5.1164 -5.1135 -5.1135 -4.9484 -4.9484 -4.9462 -4.9462 -2.4743 -2.4743 -2.4721 -2.4721 -2.1654 -2.1654 -2.1609 -2.1609 -1.9537 -1.9537 -1.9499 -1.9499 -1.7372 -1.7372 -1.7323 -1.7323 -1.4579 -1.4579 -1.4551 -1.4551 -0.0342 -0.0342 -0.0269 -0.0269 0.1438 0.1438 0.1507 0.1507 0.5411 0.5411 0.5441 0.5441 8.5409 8.5409 8.5414 8.5414 9.9815 9.9815 9.9837 9.9837 10.8746 10.8746 10.8775 10.8775 k = 0.5000-0.0000 0.7042 ( 6786 PWs) bands (ev): -20.1115 -20.1115 -20.1114 -20.1114 -17.7349 -17.7349 -17.7340 -17.7340 -17.2322 -17.2322 -17.2303 -17.2303 -17.0107 -17.0107 -17.0089 -17.0089 -7.8900 -7.8900 -7.8897 -7.8897 -6.1600 -6.1600 -6.1571 -6.1571 -5.1220 -5.1220 -5.1188 -5.1188 -4.9571 -4.9571 -4.9548 -4.9548 -2.4634 -2.4634 -2.4612 -2.4612 -2.1619 -2.1619 -2.1572 -2.1572 -1.9597 -1.9597 -1.9560 -1.9560 -1.7307 -1.7307 -1.7255 -1.7255 -1.4529 -1.4529 -1.4499 -1.4499 -0.0209 -0.0209 -0.0133 -0.0133 0.1541 0.1541 0.1614 0.1614 0.5450 0.5450 0.5480 0.5480 8.4752 8.4752 8.4756 8.4756 10.0311 10.0311 10.0337 10.0337 10.8693 10.8693 10.8723 10.8723 k = 0.5000-0.0000 0.6782 ( 6792 PWs) bands (ev): -20.1158 -20.1158 -20.1157 -20.1157 -17.7256 -17.7256 -17.7246 -17.7246 -17.2330 -17.2330 -17.2310 -17.2310 -17.0104 -17.0104 -17.0086 -17.0086 -7.9242 -7.9242 -7.9238 -7.9238 -6.1356 -6.1356 -6.1325 -6.1325 -5.1280 -5.1280 -5.1246 -5.1246 -4.9666 -4.9666 -4.9641 -4.9641 -2.4519 -2.4519 -2.4497 -2.4497 -2.1583 -2.1583 -2.1534 -2.1534 -1.9658 -1.9658 -1.9621 -1.9621 -1.7232 -1.7232 -1.7179 -1.7179 -1.4477 -1.4477 -1.4446 -1.4446 -0.0071 -0.0071 0.0008 0.0008 0.1658 0.1658 0.1735 0.1735 0.5496 0.5496 0.5527 0.5527 8.4085 8.4085 8.4089 8.4089 10.0788 10.0788 10.0818 10.0818 10.8638 10.8638 10.8669 10.8669 k = 0.5000-0.0000 0.6521 ( 6790 PWs) bands (ev): -20.1204 -20.1204 -20.1203 -20.1203 -17.7156 -17.7156 -17.7146 -17.7146 -17.2338 -17.2338 -17.2318 -17.2318 -17.0101 -17.0101 -17.0083 -17.0083 -7.9599 -7.9599 -7.9595 -7.9595 -6.1103 -6.1103 -6.1070 -6.1070 -5.1346 -5.1346 -5.1309 -5.1309 -4.9768 -4.9768 -4.9741 -4.9741 -2.4397 -2.4397 -2.4375 -2.4375 -2.1545 -2.1545 -2.1496 -2.1496 -1.9719 -1.9719 -1.9682 -1.9682 -1.7149 -1.7149 -1.7095 -1.7095 -1.4426 -1.4426 -1.4393 -1.4393 0.0071 0.0071 0.0152 0.0152 0.1787 0.1787 0.1868 0.1868 0.5551 0.5551 0.5581 0.5581 8.3414 8.3414 8.3419 8.3419 10.1234 10.1234 10.1269 10.1269 10.8584 10.8584 10.8617 10.8617 k = 0.5000-0.0000 0.6260 ( 6798 PWs) bands (ev): -20.1253 -20.1253 -20.1252 -20.1252 -17.7050 -17.7050 -17.7038 -17.7038 -17.2348 -17.2348 -17.2328 -17.2328 -17.0098 -17.0098 -17.0080 -17.0080 -7.9967 -7.9967 -7.9963 -7.9963 -6.0842 -6.0842 -6.0808 -6.0808 -5.1416 -5.1416 -5.1376 -5.1376 -4.9876 -4.9876 -4.9847 -4.9847 -2.4271 -2.4271 -2.4248 -2.4248 -2.1508 -2.1508 -2.1457 -2.1457 -1.9778 -1.9778 -1.9741 -1.9741 -1.7058 -1.7058 -1.7003 -1.7003 -1.4374 -1.4374 -1.4341 -1.4341 0.0215 0.0215 0.0297 0.0297 0.1929 0.1929 0.2012 0.2012 0.5614 0.5614 0.5645 0.5645 8.2745 8.2745 8.2750 8.2750 10.1642 10.1642 10.1683 10.1683 10.8537 10.8537 10.8572 10.8572 k = 0.5000-0.0000 0.5999 ( 6798 PWs) bands (ev): -20.1304 -20.1304 -20.1303 -20.1303 -17.6937 -17.6937 -17.6925 -17.6925 -17.2359 -17.2359 -17.2338 -17.2338 -17.0095 -17.0095 -17.0076 -17.0076 -8.0344 -8.0344 -8.0340 -8.0340 -6.0577 -6.0577 -6.0542 -6.0542 -5.1490 -5.1490 -5.1448 -5.1448 -4.9989 -4.9989 -4.9959 -4.9959 -2.4142 -2.4142 -2.4119 -2.4119 -2.1471 -2.1471 -2.1419 -2.1419 -1.9834 -1.9834 -1.9797 -1.9797 -1.6960 -1.6960 -1.6904 -1.6904 -1.4324 -1.4324 -1.4290 -1.4290 0.0360 0.0360 0.0443 0.0443 0.2081 0.2081 0.2165 0.2165 0.5688 0.5688 0.5719 0.5719 8.2080 8.2080 8.2085 8.2085 10.2002 10.2002 10.2050 10.2050 10.8502 10.8502 10.8540 10.8540 k = 0.5000-0.0000 0.5738 ( 6800 PWs) bands (ev): -20.1357 -20.1357 -20.1355 -20.1355 -17.6820 -17.6820 -17.6807 -17.6807 -17.2371 -17.2371 -17.2350 -17.2350 -17.0091 -17.0091 -17.0072 -17.0072 -8.0726 -8.0726 -8.0722 -8.0722 -6.0310 -6.0310 -6.0274 -6.0274 -5.1567 -5.1567 -5.1524 -5.1524 -5.0106 -5.0106 -5.0076 -5.0076 -2.4011 -2.4011 -2.3988 -2.3988 -2.1437 -2.1437 -2.1384 -2.1384 -1.9886 -1.9886 -1.9848 -1.9848 -1.6854 -1.6854 -1.6798 -1.6798 -1.4276 -1.4276 -1.4241 -1.4241 0.0505 0.0505 0.0587 0.0587 0.2240 0.2240 0.2324 0.2324 0.5774 0.5774 0.5804 0.5804 8.1424 8.1424 8.1429 8.1429 10.2308 10.2308 10.2365 10.2365 10.8484 10.8484 10.8526 10.8526 k = 0.5000-0.0000 0.5477 ( 6804 PWs) bands (ev): -20.1410 -20.1410 -20.1409 -20.1409 -17.6698 -17.6698 -17.6684 -17.6684 -17.2385 -17.2385 -17.2362 -17.2362 -17.0088 -17.0088 -17.0069 -17.0069 -8.1110 -8.1110 -8.1105 -8.1105 -6.0042 -6.0042 -6.0005 -6.0005 -5.1649 -5.1649 -5.1603 -5.1603 -5.0227 -5.0227 -5.0196 -5.0196 -2.3879 -2.3879 -2.3856 -2.3856 -2.1405 -2.1405 -2.1351 -2.1351 -1.9932 -1.9932 -1.9894 -1.9894 -1.6741 -1.6741 -1.6685 -1.6685 -1.4229 -1.4229 -1.4194 -1.4194 0.0648 0.0648 0.0729 0.0729 0.2403 0.2403 0.2486 0.2486 0.5872 0.5872 0.5902 0.5902 8.0779 8.0779 8.0784 8.0784 10.2555 10.2555 10.2620 10.2620 10.8489 10.8489 10.8537 10.8537 k = 0.5000-0.0000 0.5217 ( 6808 PWs) bands (ev): -20.1465 -20.1465 -20.1464 -20.1464 -17.6572 -17.6572 -17.6558 -17.6558 -17.2399 -17.2399 -17.2376 -17.2376 -17.0084 -17.0084 -17.0065 -17.0065 -8.1492 -8.1492 -8.1488 -8.1488 -5.9776 -5.9776 -5.9737 -5.9737 -5.1733 -5.1733 -5.1686 -5.1686 -5.0351 -5.0351 -5.0320 -5.0320 -2.3747 -2.3747 -2.3724 -2.3724 -2.1376 -2.1376 -2.1322 -2.1322 -1.9972 -1.9972 -1.9934 -1.9934 -1.6623 -1.6623 -1.6568 -1.6568 -1.4185 -1.4185 -1.4149 -1.4149 0.0791 0.0791 0.0869 0.0869 0.2566 0.2566 0.2647 0.2647 0.5984 0.5984 0.6014 0.6014 8.0147 8.0147 8.0152 8.0152 10.2739 10.2739 10.2812 10.2812 10.8521 10.8521 10.8575 10.8575 k = 0.5000-0.0000 0.4956 ( 6794 PWs) bands (ev): -20.1520 -20.1520 -20.1519 -20.1519 -17.6444 -17.6444 -17.6429 -17.6429 -17.2415 -17.2415 -17.2391 -17.2391 -17.0079 -17.0079 -17.0060 -17.0060 -8.1872 -8.1872 -8.1868 -8.1868 -5.9511 -5.9511 -5.9472 -5.9472 -5.1819 -5.1819 -5.1772 -5.1772 -5.0476 -5.0476 -5.0445 -5.0445 -2.3617 -2.3617 -2.3594 -2.3594 -2.1352 -2.1352 -2.1299 -2.1299 -2.0006 -2.0006 -1.9968 -1.9968 -1.6501 -1.6501 -1.6445 -1.6445 -1.4142 -1.4142 -1.4107 -1.4107 0.0932 0.0932 0.1008 0.1008 0.2726 0.2726 0.2804 0.2804 0.6109 0.6109 0.6139 0.6139 7.9530 7.9530 7.9535 7.9535 10.2860 10.2860 10.2941 10.2941 10.8582 10.8582 10.8642 10.8642 k = 0.5000-0.0000 0.4695 ( 6796 PWs) bands (ev): -20.1576 -20.1576 -20.1575 -20.1575 -17.6315 -17.6315 -17.6299 -17.6299 -17.2432 -17.2432 -17.2408 -17.2408 -17.0075 -17.0075 -17.0056 -17.0056 -8.2245 -8.2245 -8.2241 -8.2241 -5.9251 -5.9251 -5.9210 -5.9210 -5.1909 -5.1909 -5.1860 -5.1860 -5.0602 -5.0602 -5.0571 -5.0571 -2.3489 -2.3489 -2.3467 -2.3467 -2.1333 -2.1333 -2.1280 -2.1280 -2.0032 -2.0032 -1.9994 -1.9994 -1.6375 -1.6375 -1.6320 -1.6320 -1.4103 -1.4103 -1.4067 -1.4067 0.1071 0.1071 0.1145 0.1145 0.2880 0.2880 0.2955 0.2955 0.6249 0.6249 0.6279 0.6279 7.8932 7.8932 7.8937 7.8937 10.2922 10.2922 10.3010 10.3010 10.8670 10.8670 10.8737 10.8737 k = 0.5000-0.0000 0.4434 ( 6808 PWs) bands (ev): -20.1630 -20.1630 -20.1629 -20.1629 -17.6184 -17.6184 -17.6167 -17.6167 -17.2450 -17.2450 -17.2426 -17.2426 -17.0070 -17.0070 -17.0052 -17.0052 -8.2611 -8.2611 -8.2606 -8.2606 -5.8995 -5.8995 -5.8953 -5.8953 -5.2000 -5.2000 -5.1951 -5.1951 -5.0727 -5.0727 -5.0697 -5.0697 -2.3364 -2.3364 -2.3343 -2.3343 -2.1318 -2.1318 -2.1267 -2.1267 -2.0051 -2.0051 -2.0015 -2.0015 -1.6247 -1.6247 -1.6193 -1.6193 -1.4065 -1.4065 -1.4029 -1.4029 0.1209 0.1209 0.1280 0.1280 0.3026 0.3026 0.3097 0.3097 0.6402 0.6402 0.6432 0.6432 7.8354 7.8354 7.8359 7.8359 10.2932 10.2932 10.3025 10.3025 10.8783 10.8783 10.8856 10.8856 k = 0.5000-0.0000 0.4173 ( 6822 PWs) bands (ev): -20.1684 -20.1684 -20.1683 -20.1683 -17.6053 -17.6053 -17.6036 -17.6036 -17.2469 -17.2469 -17.2445 -17.2445 -17.0066 -17.0066 -17.0047 -17.0047 -8.2966 -8.2966 -8.2961 -8.2961 -5.8744 -5.8744 -5.8702 -5.8702 -5.2094 -5.2094 -5.2045 -5.2045 -5.0851 -5.0851 -5.0822 -5.0822 -2.3243 -2.3243 -2.3222 -2.3222 -2.1309 -2.1309 -2.1259 -2.1259 -2.0064 -2.0064 -2.0028 -2.0028 -1.6118 -1.6118 -1.6065 -1.6065 -1.4030 -1.4030 -1.3994 -1.3994 0.1345 0.1345 0.1413 0.1413 0.3161 0.3161 0.3229 0.3229 0.6568 0.6568 0.6597 0.6597 7.7797 7.7797 7.7802 7.7802 10.2897 10.2897 10.2994 10.2994 10.8915 10.8915 10.8993 10.8993 k = 0.5000-0.0000 0.3912 ( 6824 PWs) bands (ev): -20.1737 -20.1737 -20.1736 -20.1736 -17.5922 -17.5922 -17.5905 -17.5905 -17.2490 -17.2490 -17.2466 -17.2466 -17.0061 -17.0061 -17.0043 -17.0043 -8.3308 -8.3308 -8.3304 -8.3304 -5.8500 -5.8500 -5.8457 -5.8457 -5.2189 -5.2189 -5.2140 -5.2140 -5.0973 -5.0973 -5.0945 -5.0945 -2.3127 -2.3127 -2.3106 -2.3106 -2.1305 -2.1305 -2.1257 -2.1257 -2.0070 -2.0070 -2.0036 -2.0036 -1.5990 -1.5990 -1.5937 -1.5937 -1.3997 -1.3997 -1.3961 -1.3961 0.1478 0.1478 0.1544 0.1544 0.3285 0.3285 0.3349 0.3349 0.6744 0.6744 0.6772 0.6772 7.7264 7.7264 7.7268 7.7268 10.2827 10.2827 10.2925 10.2925 10.9061 10.9061 10.9142 10.9142 k = 0.5000-0.0000 0.3652 ( 6832 PWs) bands (ev): -20.1788 -20.1788 -20.1787 -20.1787 -17.5794 -17.5794 -17.5776 -17.5776 -17.2512 -17.2512 -17.2488 -17.2488 -17.0056 -17.0056 -17.0039 -17.0039 -8.3637 -8.3637 -8.3633 -8.3633 -5.8262 -5.8262 -5.8219 -5.8219 -5.2286 -5.2286 -5.2237 -5.2237 -5.1091 -5.1091 -5.1065 -5.1065 -2.3015 -2.3015 -2.2995 -2.2995 -2.1305 -2.1305 -2.1259 -2.1259 -2.0071 -2.0071 -2.0039 -2.0039 -1.5863 -1.5863 -1.5812 -1.5812 -1.3966 -1.3966 -1.3930 -1.3930 0.1609 0.1609 0.1671 0.1671 0.3397 0.3397 0.3458 0.3458 0.6927 0.6927 0.6955 0.6955 7.6756 7.6756 7.6760 7.6760 10.2731 10.2731 10.2830 10.2830 10.9212 10.9212 10.9298 10.9298 k = 0.5000-0.0000 0.3391 ( 6832 PWs) bands (ev): -20.1838 -20.1838 -20.1837 -20.1837 -17.5667 -17.5667 -17.5650 -17.5650 -17.2535 -17.2535 -17.2511 -17.2511 -17.0051 -17.0051 -17.0035 -17.0035 -8.3950 -8.3950 -8.3947 -8.3947 -5.8033 -5.8033 -5.7989 -5.7989 -5.2384 -5.2384 -5.2336 -5.2336 -5.1204 -5.1204 -5.1180 -5.1180 -2.2908 -2.2908 -2.2890 -2.2890 -2.1309 -2.1309 -2.1265 -2.1265 -2.0067 -2.0067 -2.0037 -2.0037 -1.5740 -1.5740 -1.5690 -1.5690 -1.3938 -1.3938 -1.3901 -1.3901 0.1736 0.1736 0.1795 0.1795 0.3499 0.3499 0.3556 0.3556 0.7116 0.7116 0.7142 0.7142 7.6275 7.6275 7.6279 7.6279 10.2617 10.2617 10.2714 10.2714 10.9363 10.9363 10.9454 10.9454 k = 0.5000-0.0000 0.3130 ( 6840 PWs) bands (ev): -20.1885 -20.1885 -20.1884 -20.1884 -17.5544 -17.5544 -17.5527 -17.5527 -17.2559 -17.2559 -17.2535 -17.2535 -17.0047 -17.0047 -17.0031 -17.0031 -8.4246 -8.4246 -8.4243 -8.4243 -5.7811 -5.7811 -5.7768 -5.7768 -5.2483 -5.2483 -5.2436 -5.2436 -5.1312 -5.1312 -5.1291 -5.1291 -2.2808 -2.2808 -2.2789 -2.2789 -2.1316 -2.1316 -2.1274 -2.1274 -2.0060 -2.0060 -2.0032 -2.0032 -1.5621 -1.5621 -1.5572 -1.5572 -1.3911 -1.3911 -1.3874 -1.3874 0.1858 0.1858 0.1914 0.1914 0.3590 0.3590 0.3644 0.3644 0.7305 0.7305 0.7331 0.7331 7.5822 7.5822 7.5826 7.5826 10.2492 10.2492 10.2587 10.2587 10.9508 10.9508 10.9604 10.9604 k = 0.5000-0.0000 0.2869 ( 6840 PWs) bands (ev): -20.1929 -20.1929 -20.1928 -20.1928 -17.5425 -17.5425 -17.5408 -17.5408 -17.2584 -17.2584 -17.2560 -17.2560 -17.0042 -17.0042 -17.0027 -17.0027 -8.4524 -8.4524 -8.4520 -8.4520 -5.7599 -5.7599 -5.7556 -5.7556 -5.2582 -5.2582 -5.2536 -5.2536 -5.1414 -5.1414 -5.1395 -5.1395 -2.2713 -2.2713 -2.2695 -2.2695 -2.1326 -2.1326 -2.1286 -2.1286 -2.0050 -2.0050 -2.0024 -2.0024 -1.5509 -1.5509 -1.5461 -1.5461 -1.3886 -1.3886 -1.3849 -1.3849 0.1975 0.1975 0.2028 0.2028 0.3671 0.3671 0.3722 0.3722 0.7493 0.7493 0.7518 0.7518 7.5399 7.5399 7.5403 7.5403 10.2362 10.2362 10.2453 10.2453 10.9635 10.9635 10.9741 10.9741 k = 0.5000-0.0000 0.2608 ( 6844 PWs) bands (ev): -20.1971 -20.1971 -20.1970 -20.1970 -17.5312 -17.5312 -17.5294 -17.5294 -17.2609 -17.2609 -17.2586 -17.2586 -17.0037 -17.0037 -17.0023 -17.0023 -8.4781 -8.4781 -8.4778 -8.4778 -5.7397 -5.7397 -5.7355 -5.7355 -5.2682 -5.2682 -5.2637 -5.2637 -5.1509 -5.1509 -5.1493 -5.1493 -2.2624 -2.2624 -2.2607 -2.2607 -2.1338 -2.1338 -2.1300 -2.1300 -2.0039 -2.0039 -2.0015 -2.0015 -1.5402 -1.5402 -1.5356 -1.5356 -1.3862 -1.3862 -1.3827 -1.3827 0.2085 0.2085 0.2135 0.2135 0.3744 0.3744 0.3792 0.3792 0.7677 0.7677 0.7699 0.7699 7.5008 7.5008 7.5012 7.5012 10.2232 10.2232 10.2319 10.2319 10.9728 10.9728 10.9851 10.9851 k = 0.5000-0.0000 0.2347 ( 6836 PWs) bands (ev): -20.2009 -20.2009 -20.2008 -20.2008 -17.5204 -17.5204 -17.5187 -17.5187 -17.2634 -17.2634 -17.2612 -17.2612 -17.0033 -17.0033 -17.0020 -17.0020 -8.5018 -8.5018 -8.5015 -8.5015 -5.7205 -5.7205 -5.7164 -5.7164 -5.2780 -5.2780 -5.2737 -5.2737 -5.1596 -5.1596 -5.1583 -5.1583 -2.2542 -2.2542 -2.2525 -2.2525 -2.1351 -2.1351 -2.1315 -2.1315 -2.0027 -2.0027 -2.0005 -2.0005 -1.5304 -1.5304 -1.5259 -1.5259 -1.3840 -1.3840 -1.3806 -1.3806 0.2188 0.2188 0.2235 0.2235 0.3810 0.3810 0.3854 0.3854 0.7852 0.7852 0.7873 0.7873 7.4649 7.4649 7.4653 7.4653 10.2107 10.2107 10.2188 10.2188 10.9757 10.9757 10.9899 10.9899 k = 0.5000-0.0000 0.2087 ( 6828 PWs) bands (ev): -20.2044 -20.2044 -20.2043 -20.2043 -17.5103 -17.5103 -17.5087 -17.5087 -17.2659 -17.2659 -17.2638 -17.2638 -17.0029 -17.0029 -17.0016 -17.0016 -8.5232 -8.5232 -8.5230 -8.5230 -5.7025 -5.7025 -5.6986 -5.6986 -5.2876 -5.2876 -5.2835 -5.2835 -5.1675 -5.1675 -5.1665 -5.1665 -2.2467 -2.2467 -2.2450 -2.2450 -2.1364 -2.1364 -2.1330 -2.1330 -2.0014 -2.0014 -1.9995 -1.9995 -1.5214 -1.5214 -1.5172 -1.5172 -1.3820 -1.3820 -1.3787 -1.3787 0.2283 0.2283 0.2326 0.2326 0.3868 0.3868 0.3909 0.3909 0.8016 0.8016 0.8035 0.8035 7.4325 7.4325 7.4328 7.4328 10.1989 10.1989 10.2064 10.2064 10.9694 10.9694 10.9834 10.9834 k = 0.5000-0.0000 0.1826 ( 6822 PWs) bands (ev): -20.2075 -20.2075 -20.2075 -20.2075 -17.5010 -17.5010 -17.4995 -17.4995 -17.2683 -17.2683 -17.2664 -17.2664 -17.0025 -17.0025 -17.0014 -17.0014 -8.5424 -8.5424 -8.5421 -8.5421 -5.6859 -5.6859 -5.6822 -5.6822 -5.2968 -5.2968 -5.2929 -5.2929 -5.1746 -5.1746 -5.1738 -5.1738 -2.2399 -2.2399 -2.2382 -2.2382 -2.1378 -2.1378 -2.1346 -2.1346 -2.0002 -2.0002 -1.9985 -1.9985 -1.5133 -1.5133 -1.5094 -1.5094 -1.3801 -1.3801 -1.3770 -1.3770 0.2368 0.2368 0.2408 0.2408 0.3920 0.3920 0.3957 0.3957 0.8167 0.8167 0.8184 0.8184 7.4036 7.4036 7.4038 7.4038 10.1881 10.1881 10.1949 10.1949 10.9559 10.9559 10.9680 10.9680 k = 0.5000-0.0000 0.1565 ( 6826 PWs) bands (ev): -20.2103 -20.2103 -20.2102 -20.2102 -17.4926 -17.4926 -17.4912 -17.4912 -17.2707 -17.2707 -17.2689 -17.2689 -17.0021 -17.0021 -17.0011 -17.0011 -8.5591 -8.5591 -8.5589 -8.5589 -5.6707 -5.6707 -5.6673 -5.6673 -5.3055 -5.3055 -5.3019 -5.3019 -5.1808 -5.1808 -5.1801 -5.1801 -2.2339 -2.2339 -2.2322 -2.2322 -2.1391 -2.1391 -2.1362 -2.1362 -1.9991 -1.9991 -1.9975 -1.9975 -1.5062 -1.5062 -1.5026 -1.5026 -1.3783 -1.3783 -1.3755 -1.3755 0.2443 0.2443 0.2479 0.2479 0.3965 0.3965 0.3998 0.3998 0.8303 0.8303 0.8318 0.8318 7.3782 7.3782 7.3785 7.3785 10.1786 10.1786 10.1845 10.1845 10.9399 10.9399 10.9503 10.9503 k = 0.5000-0.0000 0.1304 ( 6834 PWs) bands (ev): -20.2127 -20.2127 -20.2126 -20.2126 -17.4852 -17.4852 -17.4840 -17.4840 -17.2728 -17.2728 -17.2712 -17.2712 -17.0018 -17.0018 -17.0010 -17.0010 -8.5734 -8.5734 -8.5732 -8.5732 -5.6572 -5.6572 -5.6541 -5.6541 -5.3135 -5.3135 -5.3102 -5.3102 -5.1861 -5.1861 -5.1855 -5.1855 -2.2286 -2.2286 -2.2270 -2.2270 -2.1403 -2.1403 -2.1377 -2.1377 -1.9981 -1.9981 -1.9967 -1.9967 -1.5002 -1.5002 -1.4968 -1.4968 -1.3768 -1.3768 -1.3742 -1.3742 0.2508 0.2508 0.2540 0.2540 0.4004 0.4004 0.4034 0.4034 0.8421 0.8421 0.8433 0.8433 7.3567 7.3567 7.3569 7.3569 10.1704 10.1704 10.1755 10.1755 10.9242 10.9242 10.9336 10.9336 k = 0.5000-0.0000 0.1043 ( 6828 PWs) bands (ev): -20.2146 -20.2146 -20.2146 -20.2146 -17.4790 -17.4790 -17.4779 -17.4779 -17.2746 -17.2746 -17.2733 -17.2733 -17.0015 -17.0015 -17.0008 -17.0008 -8.5852 -8.5852 -8.5851 -8.5851 -5.6456 -5.6456 -5.6429 -5.6429 -5.3205 -5.3205 -5.3176 -5.3176 -5.1906 -5.1906 -5.1898 -5.1898 -2.2242 -2.2242 -2.2227 -2.2227 -2.1414 -2.1414 -2.1391 -2.1391 -1.9972 -1.9972 -1.9960 -1.9960 -1.4951 -1.4951 -1.4922 -1.4922 -1.3754 -1.3754 -1.3732 -1.3732 0.2562 0.2562 0.2591 0.2591 0.4037 0.4037 0.4063 0.4063 0.8520 0.8520 0.8530 0.8530 7.3389 7.3389 7.3391 7.3391 10.1636 10.1636 10.1678 10.1678 10.9104 10.9104 10.9191 10.9191 k = 0.5000-0.0000 0.0782 ( 6818 PWs) bands (ev): -20.2161 -20.2161 -20.2161 -20.2161 -17.4739 -17.4739 -17.4731 -17.4731 -17.2761 -17.2761 -17.2751 -17.2751 -17.0012 -17.0012 -17.0007 -17.0007 -8.5944 -8.5944 -8.5943 -8.5943 -5.6361 -5.6361 -5.6340 -5.6340 -5.3262 -5.3262 -5.3238 -5.3238 -5.1940 -5.1940 -5.1932 -5.1932 -2.2206 -2.2206 -2.2193 -2.2193 -2.1422 -2.1422 -2.1403 -2.1403 -1.9965 -1.9965 -1.9954 -1.9954 -1.4912 -1.4912 -1.4886 -1.4886 -1.3743 -1.3743 -1.3725 -1.3725 0.2604 0.2604 0.2630 0.2630 0.4064 0.4064 0.4086 0.4086 0.8598 0.8598 0.8607 0.8607 7.3250 7.3250 7.3251 7.3251 10.1585 10.1585 10.1617 10.1617 10.8992 10.8992 10.9074 10.9074 k = 0.5000-0.0000 0.0522 ( 6818 PWs) bands (ev): -20.2172 -20.2172 -20.2172 -20.2172 -17.4702 -17.4702 -17.4696 -17.4696 -17.2771 -17.2771 -17.2765 -17.2765 -17.0010 -17.0010 -17.0007 -17.0007 -8.6010 -8.6010 -8.6009 -8.6009 -5.6289 -5.6289 -5.6275 -5.6275 -5.3305 -5.3305 -5.3286 -5.3286 -5.1965 -5.1965 -5.1956 -5.1956 -2.2180 -2.2180 -2.2168 -2.2168 -2.1428 -2.1428 -2.1412 -2.1412 -1.9959 -1.9959 -1.9950 -1.9950 -1.4883 -1.4883 -1.4860 -1.4860 -1.3734 -1.3734 -1.3719 -1.3719 0.2634 0.2634 0.2658 0.2658 0.4083 0.4083 0.4102 0.4102 0.8656 0.8656 0.8662 0.8662 7.3150 7.3150 7.3151 7.3151 10.1549 10.1549 10.1571 10.1571 10.8910 10.8910 10.8989 10.8989 k = 0.5000-0.0000 0.0261 ( 6816 PWs) bands (ev): -20.2179 -20.2179 -20.2179 -20.2179 -17.4679 -17.4679 -17.4676 -17.4676 -17.2777 -17.2777 -17.2774 -17.2774 -17.0008 -17.0008 -17.0007 -17.0007 -8.6050 -8.6050 -8.6049 -8.6049 -5.6244 -5.6244 -5.6236 -5.6236 -5.3331 -5.3331 -5.3316 -5.3316 -5.1980 -5.1980 -5.1971 -5.1971 -2.2164 -2.2164 -2.2153 -2.2153 -2.1431 -2.1431 -2.1419 -2.1419 -1.9956 -1.9956 -1.9948 -1.9948 -1.4866 -1.4866 -1.4845 -1.4845 -1.3729 -1.3729 -1.3717 -1.3717 0.2653 0.2653 0.2674 0.2674 0.4095 0.4095 0.4112 0.4112 0.8690 0.8690 0.8695 0.8695 7.3091 7.3091 7.3091 7.3091 10.1529 10.1529 10.1541 10.1541 10.8859 10.8859 10.8937 10.8937 k = 0.5000-0.0000-0.0000 ( 6822 PWs) bands (ev): -20.2181 -20.2181 -20.2181 -20.2181 -17.4670 -17.4670 -17.4669 -17.4669 -17.2778 -17.2778 -17.2778 -17.2778 -17.0008 -17.0008 -17.0007 -17.0007 -8.6063 -8.6063 -8.6063 -8.6063 -5.6228 -5.6228 -5.6224 -5.6224 -5.3340 -5.3340 -5.3326 -5.3326 -5.1985 -5.1985 -5.1975 -5.1975 -2.2159 -2.2159 -2.2148 -2.2148 -2.1433 -2.1433 -2.1421 -2.1421 -1.9955 -1.9955 -1.9947 -1.9947 -1.4860 -1.4860 -1.4841 -1.4841 -1.3727 -1.3727 -1.3716 -1.3716 0.2659 0.2659 0.2680 0.2680 0.4099 0.4099 0.4115 0.4115 0.8702 0.8702 0.8706 0.8706 7.3071 7.3071 7.3071 7.3071 10.1524 10.1524 10.1530 10.1530 10.8842 10.8842 10.8919 10.8919 k = 0.0000 0.0000 0.9390 ( 6762 PWs) bands (ev): -20.1148 -20.1148 -20.0679 -20.0679 -17.7901 -17.7901 -17.7592 -17.7592 -17.2505 -17.2505 -17.1949 -17.1949 -17.0812 -17.0812 -16.9565 -16.9565 -7.9604 -7.9604 -7.2980 -7.2980 -6.6759 -6.6759 -6.0952 -6.0952 -5.1718 -5.1718 -5.1145 -5.1145 -4.9020 -4.9020 -4.7979 -4.7979 -2.5472 -2.5472 -2.5050 -2.5050 -2.3927 -2.3927 -2.1870 -2.1870 -1.9652 -1.9652 -1.8508 -1.8508 -1.6618 -1.6618 -1.6308 -1.6308 -1.5359 -1.5359 -1.2135 -1.2135 -0.2403 -0.2403 -0.1685 -0.1685 0.0301 0.0301 0.1096 0.1096 0.3068 0.3068 0.8189 0.8189 8.5878 8.5878 9.0968 9.0968 9.5679 9.5679 10.5839 10.5839 10.6012 10.6012 10.7842 10.7842 k = 0.0263-0.0000 0.9390 ( 6758 PWs) bands (ev): -20.1147 -20.1147 -20.0680 -20.0680 -17.7900 -17.7900 -17.7592 -17.7592 -17.2505 -17.2504 -17.1952 -17.1949 -17.0810 -17.0807 -16.9568 -16.9567 -7.9597 -7.9597 -7.3005 -7.3005 -6.6736 -6.6734 -6.0957 -6.0955 -5.1716 -5.1714 -5.1142 -5.1141 -4.9024 -4.9022 -4.7983 -4.7983 -2.5470 -2.5469 -2.5052 -2.5049 -2.3921 -2.3918 -2.1869 -2.1864 -1.9653 -1.9651 -1.8510 -1.8508 -1.6625 -1.6615 -1.6315 -1.6314 -1.5370 -1.5362 -1.2151 -1.2149 -0.2396 -0.2390 -0.1678 -0.1675 0.0301 0.0304 0.1097 0.1100 0.3072 0.3075 0.8178 0.8180 8.5887 8.5887 9.0976 9.0976 9.5653 9.5653 10.5728 10.5748 10.6040 10.6041 10.7901 10.7923 k = 0.0526-0.0000 0.9390 ( 6766 PWs) bands (ev): -20.1145 -20.1145 -20.0683 -20.0683 -17.7899 -17.7899 -17.7594 -17.7594 -17.2503 -17.2501 -17.1958 -17.1953 -17.0802 -17.0797 -16.9573 -16.9571 -7.9577 -7.9576 -7.3078 -7.3077 -6.6666 -6.6663 -6.0972 -6.0968 -5.1709 -5.1705 -5.1133 -5.1131 -4.9035 -4.9031 -4.7997 -4.7997 -2.5465 -2.5462 -2.5055 -2.5049 -2.3900 -2.3894 -2.1860 -2.1850 -1.9654 -1.9650 -1.8515 -1.8509 -1.6636 -1.6617 -1.6335 -1.6331 -1.5393 -1.5376 -1.2196 -1.2193 -0.2370 -0.2358 -0.1652 -0.1648 0.0304 0.0309 0.1103 0.1111 0.3088 0.3094 0.8147 0.8149 8.5913 8.5914 9.0998 9.0999 9.5577 9.5577 10.5451 10.5485 10.6129 10.6132 10.8066 10.8102 k = 0.0789-0.0000 0.9390 ( 6766 PWs) bands (ev): -20.1141 -20.1141 -20.0687 -20.0687 -17.7897 -17.7897 -17.7598 -17.7597 -17.2500 -17.2498 -17.1967 -17.1960 -17.0788 -17.0781 -16.9582 -16.9579 -7.9542 -7.9542 -7.3196 -7.3194 -6.6553 -6.6548 -6.0997 -6.0991 -5.1697 -5.1690 -5.1119 -5.1116 -4.9051 -4.9045 -4.8020 -4.8019 -2.5455 -2.5451 -2.5059 -2.5049 -2.3863 -2.3855 -2.1844 -2.1828 -1.9655 -1.9648 -1.8522 -1.8514 -1.6653 -1.6626 -1.6365 -1.6360 -1.5425 -1.5400 -1.2269 -1.2265 -0.2326 -0.2307 -0.1610 -0.1603 0.0309 0.0317 0.1115 0.1126 0.3116 0.3124 0.8095 0.8099 8.5957 8.5958 9.1033 9.1035 9.5457 9.5457 10.5070 10.5109 10.6273 10.6278 10.8278 10.8321 k = 0.1053-0.0000 0.9390 ( 6768 PWs) bands (ev): -20.1136 -20.1136 -20.0692 -20.0692 -17.7895 -17.7894 -17.7603 -17.7602 -17.2496 -17.2492 -17.1979 -17.1970 -17.0769 -17.0760 -16.9595 -16.9591 -7.9493 -7.9493 -7.3353 -7.3351 -6.6403 -6.6396 -6.1030 -6.1023 -5.1679 -5.1671 -5.1099 -5.1095 -4.9072 -4.9064 -4.8051 -4.8051 -2.5442 -2.5437 -2.5064 -2.5051 -2.3811 -2.3802 -2.1821 -2.1800 -1.9656 -1.9647 -1.8531 -1.8520 -1.6677 -1.6642 -1.6408 -1.6401 -1.5463 -1.5431 -1.2368 -1.2362 -0.2265 -0.2240 -0.1554 -0.1544 0.0318 0.0329 0.1131 0.1145 0.3155 0.3167 0.8022 0.8028 8.6018 8.6019 9.1078 9.1080 9.5302 9.5302 10.4625 10.4665 10.6462 10.6469 10.8494 10.8540 k = 0.1316-0.0000 0.9390 ( 6772 PWs) bands (ev): -20.1129 -20.1129 -20.0699 -20.0699 -17.7891 -17.7891 -17.7608 -17.7608 -17.2490 -17.2485 -17.1994 -17.1983 -17.0745 -17.0734 -16.9610 -16.9605 -7.9431 -7.9431 -7.3542 -7.3540 -6.6221 -6.6212 -6.1074 -6.1065 -5.1656 -5.1646 -5.1073 -5.1069 -4.9098 -4.9088 -4.8091 -4.8090 -2.5426 -2.5421 -2.5069 -2.5054 -2.3744 -2.3733 -2.1791 -2.1765 -1.9657 -1.9645 -1.8542 -1.8530 -1.6711 -1.6668 -1.6462 -1.6453 -1.5503 -1.5465 -1.2490 -1.2483 -0.2189 -0.2159 -0.1486 -0.1473 0.0331 0.0344 0.1150 0.1168 0.3207 0.3221 0.7931 0.7938 8.6097 8.6098 9.1128 9.1131 9.5125 9.5126 10.4139 10.4180 10.6686 10.6694 10.8694 10.8740 k = 0.1579-0.0000 0.9390 ( 6774 PWs) bands (ev): -20.1120 -20.1120 -20.0708 -20.0708 -17.7887 -17.7886 -17.7616 -17.7615 -17.2483 -17.2477 -17.2010 -17.1998 -17.0715 -17.0703 -16.9629 -16.9623 -7.9355 -7.9355 -7.3759 -7.3756 -6.6013 -6.6003 -6.1128 -6.1117 -5.1627 -5.1616 -5.1044 -5.1039 -4.9128 -4.9117 -4.8138 -4.8138 -2.5408 -2.5403 -2.5075 -2.5057 -2.3661 -2.3649 -2.1756 -2.1724 -1.9658 -1.9643 -1.8555 -1.8542 -1.6756 -1.6709 -1.6527 -1.6516 -1.5539 -1.5496 -1.2632 -1.2624 -0.2101 -0.2065 -0.1408 -0.1392 0.0347 0.0364 0.1172 0.1193 0.3271 0.3288 0.7821 0.7829 8.6193 8.6195 9.1175 9.1179 9.4942 9.4942 10.3627 10.3666 10.6932 10.6941 10.8867 10.8912 k = 0.1842-0.0000 0.9390 ( 6780 PWs) bands (ev): -20.1111 -20.1110 -20.0718 -20.0718 -17.7882 -17.7881 -17.7624 -17.7623 -17.2475 -17.2468 -17.2029 -17.2015 -17.0682 -17.0668 -16.9652 -16.9644 -7.9265 -7.9265 -7.3996 -7.3994 -6.5786 -6.5775 -6.1192 -6.1180 -5.1594 -5.1581 -5.1011 -5.1006 -4.9162 -4.9148 -4.8193 -4.8193 -2.5389 -2.5384 -2.5082 -2.5062 -2.3562 -2.3551 -2.1716 -2.1679 -1.9658 -1.9640 -1.8571 -1.8557 -1.6815 -1.6765 -1.6601 -1.6589 -1.5566 -1.5519 -1.2789 -1.2781 -0.2003 -0.1963 -0.1325 -0.1305 0.0369 0.0389 0.1195 0.1218 0.3348 0.3368 0.7693 0.7703 8.6307 8.6308 9.1210 9.1214 9.4768 9.4769 10.3097 10.3134 10.7188 10.7198 10.9008 10.9050 k = 0.2105-0.0000 0.9390 ( 6776 PWs) bands (ev): -20.1099 -20.1099 -20.0729 -20.0729 -17.7877 -17.7876 -17.7633 -17.7632 -17.2465 -17.2458 -17.2049 -17.2034 -17.0645 -17.0630 -16.9677 -16.9669 -7.9162 -7.9162 -7.4249 -7.4247 -6.5545 -6.5533 -6.1266 -6.1253 -5.1555 -5.1541 -5.0976 -5.0970 -4.9196 -4.9182 -4.8255 -4.8255 -2.5368 -2.5365 -2.5089 -2.5067 -2.3449 -2.3439 -2.1673 -2.1631 -1.9659 -1.9636 -1.8590 -1.8576 -1.6888 -1.6839 -1.6685 -1.6671 -1.5579 -1.5532 -1.2959 -1.2951 -0.1898 -0.1854 -0.1240 -0.1216 0.0397 0.0420 0.1218 0.1243 0.3438 0.3460 0.7548 0.7560 8.6437 8.6438 9.1220 9.1225 9.4624 9.4625 10.2555 10.2590 10.7442 10.7453 10.9116 10.9156 k = 0.2368-0.0000 0.9390 ( 6780 PWs) bands (ev): -20.1087 -20.1087 -20.0742 -20.0742 -17.7870 -17.7869 -17.7643 -17.7642 -17.2454 -17.2446 -17.2069 -17.2054 -17.0604 -17.0589 -16.9705 -16.9696 -7.9046 -7.9045 -7.4514 -7.4512 -6.5294 -6.5281 -6.1352 -6.1337 -5.1512 -5.1497 -5.0940 -5.0934 -4.9231 -4.9215 -4.8324 -4.8323 -2.5348 -2.5346 -2.5096 -2.5073 -2.3323 -2.3313 -2.1629 -2.1582 -1.9658 -1.9631 -1.8612 -1.8599 -1.6973 -1.6928 -1.6777 -1.6762 -1.5576 -1.5531 -1.3138 -1.3130 -0.1788 -0.1741 -0.1157 -0.1128 0.0431 0.0459 0.1238 0.1265 0.3541 0.3566 0.7388 0.7401 8.6584 8.6586 9.1192 9.1197 9.4529 9.4530 10.2007 10.2039 10.7684 10.7696 10.9194 10.9231 k = 0.2632-0.0000 0.9390 ( 6782 PWs) bands (ev): -20.1074 -20.1073 -20.0756 -20.0755 -17.7863 -17.7862 -17.7654 -17.7652 -17.2442 -17.2433 -17.2091 -17.2075 -17.0561 -17.0545 -16.9736 -16.9726 -7.8916 -7.8915 -7.4786 -7.4785 -6.5037 -6.5023 -6.1449 -6.1433 -5.1464 -5.1448 -5.0904 -5.0898 -4.9264 -4.9247 -4.8397 -4.8397 -2.5327 -2.5327 -2.5104 -2.5080 -2.3184 -2.3176 -2.1587 -2.1535 -1.9655 -1.9623 -1.8639 -1.8627 -1.7068 -1.7028 -1.6874 -1.6858 -1.5557 -1.5515 -1.3322 -1.3315 -0.1678 -0.1627 -0.1079 -0.1045 0.0473 0.0504 0.1255 0.1284 0.3659 0.3686 0.7214 0.7228 8.6747 8.6749 9.1114 9.1120 9.4499 9.4500 10.1456 10.1486 10.7907 10.7920 10.9243 10.9276 k = 0.2895-0.0000 0.9390 ( 6788 PWs) bands (ev): -20.1059 -20.1058 -20.0771 -20.0770 -17.7855 -17.7854 -17.7665 -17.7664 -17.2429 -17.2419 -17.2113 -17.2097 -17.0516 -17.0499 -16.9770 -16.9759 -7.8773 -7.8772 -7.5063 -7.5062 -6.4777 -6.4762 -6.1557 -6.1540 -5.1412 -5.1395 -5.0872 -5.0866 -4.9292 -4.9275 -4.8476 -4.8475 -2.5309 -2.5307 -2.5113 -2.5087 -2.3033 -2.3029 -2.1548 -2.1492 -1.9648 -1.9611 -1.8670 -1.8662 -1.7168 -1.7136 -1.6976 -1.6959 -1.5523 -1.5484 -1.3508 -1.3502 -0.1568 -0.1514 -0.1010 -0.0972 0.0523 0.0558 0.1267 0.1298 0.3790 0.3819 0.7027 0.7043 8.6927 8.6929 9.0982 9.0988 9.4542 9.4542 10.0907 10.0935 10.8106 10.8118 10.9266 10.9297 k = 0.3158-0.0000 0.9390 ( 6788 PWs) bands (ev): -20.1043 -20.1043 -20.0787 -20.0786 -17.7846 -17.7845 -17.7677 -17.7676 -17.2415 -17.2404 -17.2136 -17.2119 -17.0469 -17.0451 -16.9806 -16.9795 -7.8617 -7.8616 -7.5342 -7.5341 -6.4517 -6.4501 -6.1677 -6.1659 -5.1356 -5.1339 -5.0845 -5.0840 -4.9314 -4.9296 -4.8558 -4.8557 -2.5292 -2.5288 -2.5122 -2.5096 -2.2875 -2.2873 -2.1518 -2.1458 -1.9637 -1.9594 -1.8709 -1.8705 -1.7269 -1.7244 -1.7079 -1.7060 -1.5474 -1.5440 -1.3693 -1.3688 -0.1461 -0.1405 -0.0952 -0.0910 0.0581 0.0619 0.1273 0.1305 0.3935 0.3965 0.6828 0.6846 8.7123 8.7125 9.0799 9.0805 9.4658 9.4658 10.0362 10.0387 10.8278 10.8290 10.9269 10.9296 k = 0.3421-0.0000 0.9390 ( 6794 PWs) bands (ev): -20.1027 -20.1026 -20.0804 -20.0803 -17.7837 -17.7836 -17.7690 -17.7688 -17.2400 -17.2388 -17.2158 -17.2141 -17.0420 -17.0402 -16.9845 -16.9833 -7.8449 -7.8448 -7.5621 -7.5620 -6.4260 -6.4243 -6.1809 -6.1790 -5.1297 -5.1280 -5.0825 -5.0821 -4.9326 -4.9309 -4.8643 -4.8642 -2.5275 -2.5269 -2.5131 -2.5105 -2.2712 -2.2709 -2.1498 -2.1437 -1.9618 -1.9570 -1.8757 -1.8755 -1.7363 -1.7347 -1.7181 -1.7161 -1.5412 -1.5383 -1.3874 -1.3870 -0.1359 -0.1302 -0.0907 -0.0861 0.0646 0.0687 0.1272 0.1305 0.4094 0.4125 0.6621 0.6640 8.7334 8.7336 9.0574 9.0580 9.4840 9.4842 9.9824 9.9847 10.8424 10.8437 10.9253 10.9278 k = 0.3684-0.0000 0.9390 ( 6786 PWs) bands (ev): -20.1009 -20.1009 -20.0821 -20.0820 -17.7827 -17.7825 -17.7703 -17.7701 -17.2384 -17.2371 -17.2181 -17.2164 -17.0370 -17.0352 -16.9886 -16.9873 -7.8268 -7.8268 -7.5897 -7.5896 -6.4006 -6.3989 -6.1953 -6.1933 -5.1236 -5.1220 -5.0814 -5.0813 -4.9327 -4.9311 -4.8730 -4.8728 -2.5260 -2.5251 -2.5140 -2.5115 -2.2548 -2.2540 -2.1495 -2.1433 -1.9588 -1.9537 -1.8819 -1.8810 -1.7445 -1.7439 -1.7279 -1.7257 -1.5339 -1.5314 -1.4050 -1.4048 -0.1263 -0.1206 -0.0876 -0.0827 0.0717 0.0759 0.1262 0.1297 0.4265 0.4297 0.6405 0.6426 8.7559 8.7562 9.0319 9.0324 9.5080 9.5083 9.9296 9.9317 10.8549 10.8561 10.9224 10.9246 k = 0.3947-0.0000 0.9390 ( 6788 PWs) bands (ev): -20.0991 -20.0991 -20.0839 -20.0838 -17.7816 -17.7815 -17.7716 -17.7714 -17.2366 -17.2353 -17.2203 -17.2186 -17.0320 -17.0302 -16.9929 -16.9915 -7.8076 -7.8075 -7.6170 -7.6169 -6.3758 -6.3740 -6.2108 -6.2089 -5.1174 -5.1158 -5.0815 -5.0815 -4.9315 -4.9300 -4.8817 -4.8814 -2.5245 -2.5234 -2.5150 -2.5125 -2.2384 -2.2371 -2.1511 -2.1450 -1.9547 -1.9493 -1.8892 -1.8876 -1.7514 -1.7512 -1.7369 -1.7346 -1.5254 -1.5233 -1.4219 -1.4218 -0.1176 -0.1118 -0.0859 -0.0807 0.0792 0.0834 0.1243 0.1279 0.4449 0.4482 0.6184 0.6207 8.7799 8.7802 9.0042 9.0047 9.5368 9.5372 9.8780 9.8798 10.8654 10.8666 10.9184 10.9204 k = 0.4211-0.0000 0.9390 ( 6784 PWs) bands (ev): -20.0973 -20.0972 -20.0858 -20.0857 -17.7805 -17.7803 -17.7729 -17.7727 -17.2348 -17.2334 -17.2226 -17.2209 -17.0269 -17.0251 -16.9974 -16.9959 -7.7872 -7.7871 -7.6437 -7.6436 -6.3518 -6.3499 -6.2276 -6.2256 -5.1112 -5.1097 -5.0830 -5.0828 -4.9289 -4.9275 -4.8902 -4.8898 -2.5231 -2.5218 -2.5160 -2.5136 -2.2223 -2.2204 -2.1549 -2.1492 -1.9492 -1.9438 -1.8976 -1.8951 -1.7569 -1.7559 -1.7449 -1.7425 -1.5159 -1.5142 -1.4381 -1.4380 -0.1098 -0.1039 -0.0856 -0.0802 0.0867 0.0910 0.1215 0.1252 0.4644 0.4677 0.5959 0.5984 8.8052 8.8055 8.9754 8.9758 9.5698 9.5703 9.8278 9.8294 10.8745 10.8757 10.9137 10.9154 k = 0.4474-0.0000 0.9390 ( 6780 PWs) bands (ev): -20.0954 -20.0953 -20.0877 -20.0876 -17.7793 -17.7791 -17.7742 -17.7741 -17.2330 -17.2315 -17.2247 -17.2231 -17.0218 -17.0201 -17.0021 -17.0005 -7.7656 -7.7656 -7.6697 -7.6697 -6.3285 -6.3266 -6.2456 -6.2436 -5.1051 -5.1038 -5.0857 -5.0852 -4.9249 -4.9237 -4.8985 -4.8980 -2.5218 -2.5202 -2.5171 -2.5148 -2.2070 -2.2045 -2.1611 -2.1558 -1.9423 -1.9371 -1.9066 -1.9034 -1.7602 -1.7585 -1.7516 -1.7491 -1.5054 -1.5040 -1.4534 -1.4531 -0.1029 -0.0971 -0.0866 -0.0811 0.0940 0.0983 0.1177 0.1216 0.4849 0.4881 0.5732 0.5759 8.8316 8.8319 8.9460 8.9464 9.6063 9.6070 9.7793 9.7807 10.8824 10.8837 10.9083 10.9099 k = 0.4737-0.0000 0.9390 ( 6790 PWs) bands (ev): -20.0935 -20.0934 -20.0896 -20.0895 -17.7781 -17.7779 -17.7755 -17.7754 -17.2310 -17.2295 -17.2269 -17.2253 -17.0167 -17.0151 -17.0068 -17.0053 -7.7431 -7.7431 -7.6951 -7.6950 -6.3062 -6.3043 -6.2647 -6.2627 -5.0994 -5.0982 -5.0895 -5.0887 -4.9197 -4.9187 -4.9063 -4.9056 -2.5205 -2.5187 -2.5182 -2.5160 -2.1929 -2.1897 -2.1696 -2.1650 -1.9343 -1.9294 -1.9160 -1.9121 -1.7612 -1.7590 -1.7567 -1.7542 -1.4939 -1.4928 -1.4679 -1.4673 -0.0971 -0.0913 -0.0889 -0.0833 0.1010 0.1052 0.1130 0.1169 0.5062 0.5093 0.5506 0.5534 8.8591 8.8595 8.9166 8.9170 9.6458 9.6466 9.7326 9.7338 10.8896 10.8909 10.9025 10.9040 k = 0.5000-0.0000 0.9390 ( 6792 PWs) bands (ev): -20.0915 -20.0915 -20.0915 -20.0915 -17.7768 -17.7768 -17.7767 -17.7767 -17.2290 -17.2290 -17.2274 -17.2274 -17.0117 -17.0117 -17.0101 -17.0101 -7.7195 -7.7195 -7.7195 -7.7195 -6.2849 -6.2849 -6.2830 -6.2830 -5.0941 -5.0941 -5.0931 -5.0931 -4.9134 -4.9134 -4.9126 -4.9126 -2.5193 -2.5193 -2.5174 -2.5174 -2.1803 -2.1803 -2.1764 -2.1764 -1.9254 -1.9254 -1.9209 -1.9209 -1.7600 -1.7600 -1.7575 -1.7575 -1.4814 -1.4814 -1.4805 -1.4805 -0.0925 -0.0925 -0.0867 -0.0867 0.1073 0.1073 0.1114 0.1114 0.5282 0.5282 0.5311 0.5311 8.8875 8.8875 8.8879 8.8879 9.6880 9.6880 9.6890 9.6890 10.8963 10.8963 10.8977 10.8977 Writing output data file AlPO4.save init_run : 3.49s CPU 13.33s WALL ( 1 calls) electrons : 1983.00s CPU 2002.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.36s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 1982.98s CPU 2002.63s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.98s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.05s CPU 0.67s WALL ( 1 calls) newd : 0.82s CPU 0.85s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.17s WALL ( 266 calls) cegterg : 1853.99s CPU 1869.30s WALL ( 916 calls) Called by sum_band: Called by *egterg: h_psi : 665.94s CPU 677.55s WALL ( 16685 calls) s_psi : 94.53s CPU 94.90s WALL ( 16685 calls) g_psi : 1.72s CPU 1.74s WALL ( 15503 calls) cdiaghg : 833.35s CPU 830.64s WALL ( 15769 calls) cegterg:over : 146.24s CPU 142.28s WALL ( 15503 calls) cegterg:upda : 52.47s CPU 56.57s WALL ( 15503 calls) cegterg:last : 32.72s CPU 33.40s WALL ( 2019 calls) Called by h_psi: h_psi:vloc : 473.86s CPU 482.31s WALL ( 16685 calls) h_psi:vnl : 191.28s CPU 193.50s WALL ( 16685 calls) add_vuspsi : 74.88s CPU 79.89s WALL ( 16685 calls) General routines calbec : 116.32s CPU 113.45s WALL ( 16685 calls) fft : 0.41s CPU 1.05s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 441.84s CPU 447.72s WALL ( 1923292 calls) interpolate : 0.12s CPU 0.16s WALL ( 4 calls) davcio : 0.04s CPU 4.54s WALL ( 532 calls) Parallel routines fft_scatter : 282.17s CPU 285.32s WALL ( 1923315 calls) PWSCF : 34m34.37s CPU 39m27.76s WALL This run was terminated on: 17:20:44 15Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=