Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:57:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Zr2NiP.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 30 8 1513 1178 183 Max 36 31 9 1522 1195 190 Sum 1293 1103 321 54691 42689 6763 bravais-lattice index = 14 lattice parameter (alat) = 6.9466 a.u. unit-cell volume = 893.5389 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.946633 celldm(2)= 1.431991 celldm(3)= 1.983950 celldm(4)= 0.345953 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 1.431991 0.000000 ) a(3) = ( 0.000000 0.686354 1.861444 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.698328 -0.257488 ) b(3) = ( 0.000000 0.000000 0.537217 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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: /users/gautes/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 Zr 4.00 91.22400 Zr( 1.00) Ni 10.00 58.69340 Ni( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -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_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0000000 0.0000000 0.0116786), wk = 0.0034722 k( 3) = ( 0.0000000 0.0000000 0.0233573), wk = 0.0034722 k( 4) = ( 0.0000000 0.0000000 0.0350359), wk = 0.0034722 k( 5) = ( 0.0000000 0.0000000 0.0467145), wk = 0.0034722 k( 6) = ( 0.0000000 0.0000000 0.0583932), wk = 0.0034722 k( 7) = ( 0.0000000 0.0000000 0.0700718), wk = 0.0034722 k( 8) = ( 0.0000000 0.0000000 0.0817504), wk = 0.0034722 k( 9) = ( 0.0000000 0.0000000 0.0934291), wk = 0.0034722 k( 10) = ( 0.0000000 0.0000000 0.1051077), wk = 0.0034722 k( 11) = ( 0.0000000 0.0000000 0.1167863), wk = 0.0034722 k( 12) = ( 0.0000000 0.0000000 0.1284650), wk = 0.0034722 k( 13) = ( 0.0000000 0.0000000 0.1401436), wk = 0.0034722 k( 14) = ( 0.0000000 0.0000000 0.1518223), wk = 0.0034722 k( 15) = ( 0.0000000 0.0000000 0.1635009), wk = 0.0034722 k( 16) = ( 0.0000000 0.0000000 0.1751795), wk = 0.0034722 k( 17) = ( 0.0000000 0.0000000 0.1868582), wk = 0.0034722 k( 18) = ( 0.0000000 0.0000000 0.1985368), wk = 0.0034722 k( 19) = ( 0.0000000 0.0000000 0.2102154), wk = 0.0034722 k( 20) = ( 0.0000000 0.0000000 0.2218941), wk = 0.0034722 k( 21) = ( 0.0000000 0.0000000 0.2335727), wk = 0.0034722 k( 22) = ( 0.0000000 0.0000000 0.2452513), wk = 0.0034722 k( 23) = ( 0.0000000 0.0000000 0.2569300), wk = 0.0034722 k( 24) = ( 0.0000000 0.0000000 0.2686086), wk = 0.0034722 k( 25) = ( 0.0000000 0.0000000 0.2686086), wk = 0.0034722 k( 26) = ( 0.0000000 0.0114459 0.2686086), wk = 0.0034722 k( 27) = ( 0.0000000 0.0228918 0.2686086), wk = 0.0034722 k( 28) = ( 0.0000000 0.0343377 0.2686086), wk = 0.0034722 k( 29) = ( 0.0000000 0.0457836 0.2686086), wk = 0.0034722 k( 30) = ( 0.0000000 0.0572295 0.2686086), wk = 0.0034722 k( 31) = ( 0.0000000 0.0686753 0.2686086), wk = 0.0034722 k( 32) = ( 0.0000000 0.0801212 0.2686086), wk = 0.0034722 k( 33) = ( 0.0000000 0.0915671 0.2686086), wk = 0.0034722 k( 34) = ( 0.0000000 0.1030130 0.2686086), wk = 0.0034722 k( 35) = ( 0.0000000 0.1144589 0.2686086), wk = 0.0034722 k( 36) = ( 0.0000000 0.1259048 0.2686086), wk = 0.0034722 k( 37) = ( 0.0000000 0.1373507 0.2686086), wk = 0.0034722 k( 38) = ( 0.0000000 0.1487966 0.2686086), wk = 0.0034722 k( 39) = ( 0.0000000 0.1602425 0.2686086), wk = 0.0034722 k( 40) = ( 0.0000000 0.1716884 0.2686086), wk = 0.0034722 k( 41) = ( 0.0000000 0.1831343 0.2686086), wk = 0.0034722 k( 42) = ( 0.0000000 0.1945801 0.2686086), wk = 0.0034722 k( 43) = ( 0.0000000 0.2060260 0.2686086), wk = 0.0034722 k( 44) = ( 0.0000000 0.2174719 0.2686086), wk = 0.0034722 k( 45) = ( 0.0000000 0.2289178 0.2686086), wk = 0.0034722 k( 46) = ( 0.0000000 0.2403637 0.2686086), wk = 0.0034722 k( 47) = ( 0.0000000 0.2518096 0.2686086), wk = 0.0034722 k( 48) = ( 0.0000000 0.2632555 0.2686086), wk = 0.0034722 k( 49) = ( 0.0000000 0.2747014 0.2686086), wk = 0.0034722 k( 50) = ( 0.0000000 0.2861473 0.2686086), wk = 0.0034722 k( 51) = ( 0.0000000 0.2975932 0.2686086), wk = 0.0034722 k( 52) = ( 0.0000000 0.2975932 0.2686086), wk = 0.0034722 k( 53) = ( 0.0000000 0.3018908 0.2578799), wk = 0.0034722 k( 54) = ( 0.0000000 0.3061883 0.2471512), wk = 0.0034722 k( 55) = ( 0.0000000 0.3104859 0.2364226), wk = 0.0034722 k( 56) = ( 0.0000000 0.3147835 0.2256939), wk = 0.0034722 k( 57) = ( 0.0000000 0.3190811 0.2149652), wk = 0.0034722 k( 58) = ( 0.0000000 0.3233786 0.2042365), wk = 0.0034722 k( 59) = ( 0.0000000 0.3276762 0.1935078), wk = 0.0034722 k( 60) = ( 0.0000000 0.3319738 0.1827791), wk = 0.0034722 k( 61) = ( 0.0000000 0.3362714 0.1720504), wk = 0.0034722 k( 62) = ( 0.0000000 0.3405690 0.1613218), wk = 0.0034722 k( 63) = ( 0.0000000 0.3448666 0.1505931), wk = 0.0034722 k( 64) = ( 0.0000000 0.3491641 0.1398644), wk = 0.0034722 k( 65) = ( 0.0000000 0.3491641 0.1398644), wk = 0.0034722 k( 66) = ( 0.0116279 0.3491641 0.1398644), wk = 0.0034722 k( 67) = ( 0.0232558 0.3491641 0.1398644), wk = 0.0034722 k( 68) = ( 0.0348837 0.3491641 0.1398644), wk = 0.0034722 k( 69) = ( 0.0465116 0.3491641 0.1398644), wk = 0.0034722 k( 70) = ( 0.0581395 0.3491641 0.1398644), wk = 0.0034722 k( 71) = ( 0.0697674 0.3491641 0.1398644), wk = 0.0034722 k( 72) = ( 0.0813954 0.3491641 0.1398644), wk = 0.0034722 k( 73) = ( 0.0930233 0.3491641 0.1398644), wk = 0.0034722 k( 74) = ( 0.1046512 0.3491641 0.1398644), wk = 0.0034722 k( 75) = ( 0.1162791 0.3491641 0.1398644), wk = 0.0034722 k( 76) = ( 0.1279070 0.3491641 0.1398644), wk = 0.0034722 k( 77) = ( 0.1395349 0.3491641 0.1398644), wk = 0.0034722 k( 78) = ( 0.1511628 0.3491641 0.1398644), wk = 0.0034722 k( 79) = ( 0.1627907 0.3491641 0.1398644), wk = 0.0034722 k( 80) = ( 0.1744186 0.3491641 0.1398644), wk = 0.0034722 k( 81) = ( 0.1860465 0.3491641 0.1398644), wk = 0.0034722 k( 82) = ( 0.1976744 0.3491641 0.1398644), wk = 0.0034722 k( 83) = ( 0.2093023 0.3491641 0.1398644), wk = 0.0034722 k( 84) = ( 0.2209302 0.3491641 0.1398644), wk = 0.0034722 k( 85) = ( 0.2325581 0.3491641 0.1398644), wk = 0.0034722 k( 86) = ( 0.2441860 0.3491641 0.1398644), wk = 0.0034722 k( 87) = ( 0.2558140 0.3491641 0.1398644), wk = 0.0034722 k( 88) = ( 0.2674419 0.3491641 0.1398644), wk = 0.0034722 k( 89) = ( 0.2790698 0.3491641 0.1398644), wk = 0.0034722 k( 90) = ( 0.2906977 0.3491641 0.1398644), wk = 0.0034722 k( 91) = ( 0.3023256 0.3491641 0.1398644), wk = 0.0034722 k( 92) = ( 0.3139535 0.3491641 0.1398644), wk = 0.0034722 k( 93) = ( 0.3255814 0.3491641 0.1398644), wk = 0.0034722 k( 94) = ( 0.3372093 0.3491641 0.1398644), wk = 0.0034722 k( 95) = ( 0.3488372 0.3491641 0.1398644), wk = 0.0034722 k( 96) = ( 0.3604651 0.3491641 0.1398644), wk = 0.0034722 k( 97) = ( 0.3720930 0.3491641 0.1398644), wk = 0.0034722 k( 98) = ( 0.3837209 0.3491641 0.1398644), wk = 0.0034722 k( 99) = ( 0.3953488 0.3491641 0.1398644), wk = 0.0034722 k( 100) = ( 0.4069767 0.3491641 0.1398644), wk = 0.0034722 k( 101) = ( 0.4186047 0.3491641 0.1398644), wk = 0.0034722 k( 102) = ( 0.4302326 0.3491641 0.1398644), wk = 0.0034722 k( 103) = ( 0.4418605 0.3491641 0.1398644), wk = 0.0034722 k( 104) = ( 0.4534884 0.3491641 0.1398644), wk = 0.0034722 k( 105) = ( 0.4651163 0.3491641 0.1398644), wk = 0.0034722 k( 106) = ( 0.4767442 0.3491641 0.1398644), wk = 0.0034722 k( 107) = ( 0.4883721 0.3491641 0.1398644), wk = 0.0034722 k( 108) = ( 0.5000000 0.3491641 0.1398644), wk = 0.0034722 k( 109) = ( 0.5000000 0.3491641 0.1398644), wk = 0.0034722 k( 110) = ( 0.5000000 0.3534617 0.1291357), wk = 0.0034722 k( 111) = ( 0.5000000 0.3577593 0.1184070), wk = 0.0034722 k( 112) = ( 0.5000000 0.3620569 0.1076783), wk = 0.0034722 k( 113) = ( 0.5000000 0.3663545 0.0969496), wk = 0.0034722 k( 114) = ( 0.5000000 0.3706520 0.0862210), wk = 0.0034722 k( 115) = ( 0.5000000 0.3749496 0.0754923), wk = 0.0034722 k( 116) = ( 0.5000000 0.3792472 0.0647636), wk = 0.0034722 k( 117) = ( 0.5000000 0.3835448 0.0540349), wk = 0.0034722 k( 118) = ( 0.5000000 0.3878424 0.0433062), wk = 0.0034722 k( 119) = ( 0.5000000 0.3921399 0.0325775), wk = 0.0034722 k( 120) = ( 0.5000000 0.3964375 0.0218488), wk = 0.0034722 k( 121) = ( 0.5000000 0.4007351 0.0111202), wk = 0.0034722 k( 122) = ( 0.5000000 0.4007351 0.0111202), wk = 0.0034722 k( 123) = ( 0.5000000 0.3967681 0.0003614), wk = 0.0034722 k( 124) = ( 0.5000000 0.3928011 -0.0103974), wk = 0.0034722 k( 125) = ( 0.5000000 0.3888341 -0.0211562), wk = 0.0034722 k( 126) = ( 0.5000000 0.3848671 -0.0319150), wk = 0.0034722 k( 127) = ( 0.5000000 0.3809001 -0.0426738), wk = 0.0034722 k( 128) = ( 0.5000000 0.3769331 -0.0534326), wk = 0.0034722 k( 129) = ( 0.5000000 0.3729661 -0.0641914), wk = 0.0034722 k( 130) = ( 0.5000000 0.3689991 -0.0749502), wk = 0.0034722 k( 131) = ( 0.5000000 0.3650321 -0.0857090), wk = 0.0034722 k( 132) = ( 0.5000000 0.3610651 -0.0964678), wk = 0.0034722 k( 133) = ( 0.5000000 0.3570981 -0.1072266), wk = 0.0034722 k( 134) = ( 0.5000000 0.3531311 -0.1179854), wk = 0.0034722 k( 135) = ( 0.5000000 0.3491641 -0.1287442), wk = 0.0034722 k( 136) = ( 0.5000000 0.3491641 -0.1287442), wk = 0.0034722 k( 137) = ( 0.4883721 0.3491641 -0.1287442), wk = 0.0034722 k( 138) = ( 0.4767442 0.3491641 -0.1287442), wk = 0.0034722 k( 139) = ( 0.4651163 0.3491641 -0.1287442), wk = 0.0034722 k( 140) = ( 0.4534884 0.3491641 -0.1287442), wk = 0.0034722 k( 141) = ( 0.4418605 0.3491641 -0.1287442), wk = 0.0034722 k( 142) = ( 0.4302326 0.3491641 -0.1287442), wk = 0.0034722 k( 143) = ( 0.4186047 0.3491641 -0.1287442), wk = 0.0034722 k( 144) = ( 0.4069767 0.3491641 -0.1287442), wk = 0.0034722 k( 145) = ( 0.3953488 0.3491641 -0.1287442), wk = 0.0034722 k( 146) = ( 0.3837209 0.3491641 -0.1287442), wk = 0.0034722 k( 147) = ( 0.3720930 0.3491641 -0.1287442), wk = 0.0034722 k( 148) = ( 0.3604651 0.3491641 -0.1287442), wk = 0.0034722 k( 149) = ( 0.3488372 0.3491641 -0.1287442), wk = 0.0034722 k( 150) = ( 0.3372093 0.3491641 -0.1287442), wk = 0.0034722 k( 151) = ( 0.3255814 0.3491641 -0.1287442), wk = 0.0034722 k( 152) = ( 0.3139535 0.3491641 -0.1287442), wk = 0.0034722 k( 153) = ( 0.3023256 0.3491641 -0.1287442), wk = 0.0034722 k( 154) = ( 0.2906977 0.3491641 -0.1287442), wk = 0.0034722 k( 155) = ( 0.2790698 0.3491641 -0.1287442), wk = 0.0034722 k( 156) = ( 0.2674419 0.3491641 -0.1287442), wk = 0.0034722 k( 157) = ( 0.2558140 0.3491641 -0.1287442), wk = 0.0034722 k( 158) = ( 0.2441860 0.3491641 -0.1287442), wk = 0.0034722 k( 159) = ( 0.2325581 0.3491641 -0.1287442), wk = 0.0034722 k( 160) = ( 0.2209302 0.3491641 -0.1287442), wk = 0.0034722 k( 161) = ( 0.2093023 0.3491641 -0.1287442), wk = 0.0034722 k( 162) = ( 0.1976744 0.3491641 -0.1287442), wk = 0.0034722 k( 163) = ( 0.1860465 0.3491641 -0.1287442), wk = 0.0034722 k( 164) = ( 0.1744186 0.3491641 -0.1287442), wk = 0.0034722 k( 165) = ( 0.1627907 0.3491641 -0.1287442), wk = 0.0034722 k( 166) = ( 0.1511628 0.3491641 -0.1287442), wk = 0.0034722 k( 167) = ( 0.1395349 0.3491641 -0.1287442), wk = 0.0034722 k( 168) = ( 0.1279070 0.3491641 -0.1287442), wk = 0.0034722 k( 169) = ( 0.1162791 0.3491641 -0.1287442), wk = 0.0034722 k( 170) = ( 0.1046512 0.3491641 -0.1287442), wk = 0.0034722 k( 171) = ( 0.0930233 0.3491641 -0.1287442), wk = 0.0034722 k( 172) = ( 0.0813954 0.3491641 -0.1287442), wk = 0.0034722 k( 173) = ( 0.0697674 0.3491641 -0.1287442), wk = 0.0034722 k( 174) = ( 0.0581395 0.3491641 -0.1287442), wk = 0.0034722 k( 175) = ( 0.0465116 0.3491641 -0.1287442), wk = 0.0034722 k( 176) = ( 0.0348837 0.3491641 -0.1287442), wk = 0.0034722 k( 177) = ( 0.0232558 0.3491641 -0.1287442), wk = 0.0034722 k( 178) = ( 0.0116279 0.3491641 -0.1287442), wk = 0.0034722 k( 179) = ( 0.0000000 0.3491641 -0.1287442), wk = 0.0034722 k( 180) = ( 0.0000000 0.3491641 -0.1287442), wk = 0.0034722 k( 181) = ( 0.0000000 0.3531311 -0.1179854), wk = 0.0034722 k( 182) = ( 0.0000000 0.3570981 -0.1072266), wk = 0.0034722 k( 183) = ( 0.0000000 0.3610651 -0.0964678), wk = 0.0034722 k( 184) = ( 0.0000000 0.3650321 -0.0857090), wk = 0.0034722 k( 185) = ( 0.0000000 0.3689991 -0.0749502), wk = 0.0034722 k( 186) = ( 0.0000000 0.3729661 -0.0641914), wk = 0.0034722 k( 187) = ( 0.0000000 0.3769331 -0.0534326), wk = 0.0034722 k( 188) = ( 0.0000000 0.3809001 -0.0426738), wk = 0.0034722 k( 189) = ( 0.0000000 0.3848671 -0.0319150), wk = 0.0034722 k( 190) = ( 0.0000000 0.3888341 -0.0211562), wk = 0.0034722 k( 191) = ( 0.0000000 0.3928011 -0.0103974), wk = 0.0034722 k( 192) = ( 0.0000000 0.3967681 0.0003614), wk = 0.0034722 k( 193) = ( 0.0000000 0.4007351 0.0111202), wk = 0.0034722 k( 194) = ( 0.5000000 0.2975932 0.2686086), wk = 0.0034722 k( 195) = ( 0.5000000 0.2861473 0.2686086), wk = 0.0034722 k( 196) = ( 0.5000000 0.2747014 0.2686086), wk = 0.0034722 k( 197) = ( 0.5000000 0.2632555 0.2686086), wk = 0.0034722 k( 198) = ( 0.5000000 0.2518096 0.2686086), wk = 0.0034722 k( 199) = ( 0.5000000 0.2403637 0.2686086), wk = 0.0034722 k( 200) = ( 0.5000000 0.2289178 0.2686086), wk = 0.0034722 k( 201) = ( 0.5000000 0.2174719 0.2686086), wk = 0.0034722 k( 202) = ( 0.5000000 0.2060260 0.2686086), wk = 0.0034722 k( 203) = ( 0.5000000 0.1945801 0.2686086), wk = 0.0034722 k( 204) = ( 0.5000000 0.1831343 0.2686086), wk = 0.0034722 k( 205) = ( 0.5000000 0.1716884 0.2686086), wk = 0.0034722 k( 206) = ( 0.5000000 0.1602425 0.2686086), wk = 0.0034722 k( 207) = ( 0.5000000 0.1487966 0.2686086), wk = 0.0034722 k( 208) = ( 0.5000000 0.1373507 0.2686086), wk = 0.0034722 k( 209) = ( 0.5000000 0.1259048 0.2686086), wk = 0.0034722 k( 210) = ( 0.5000000 0.1144589 0.2686086), wk = 0.0034722 k( 211) = ( 0.5000000 0.1030130 0.2686086), wk = 0.0034722 k( 212) = ( 0.5000000 0.0915671 0.2686086), wk = 0.0034722 k( 213) = ( 0.5000000 0.0801212 0.2686086), wk = 0.0034722 k( 214) = ( 0.5000000 0.0686753 0.2686086), wk = 0.0034722 k( 215) = ( 0.5000000 0.0572295 0.2686086), wk = 0.0034722 k( 216) = ( 0.5000000 0.0457836 0.2686086), wk = 0.0034722 k( 217) = ( 0.5000000 0.0343377 0.2686086), wk = 0.0034722 k( 218) = ( 0.5000000 0.0228918 0.2686086), wk = 0.0034722 k( 219) = ( 0.5000000 0.0114459 0.2686086), wk = 0.0034722 k( 220) = ( 0.5000000 -0.0000000 0.2686086), wk = 0.0034722 k( 221) = ( 0.5000000 -0.0000000 0.2686086), wk = 0.0034722 k( 222) = ( 0.5000000 -0.0000000 0.2569300), wk = 0.0034722 k( 223) = ( 0.5000000 -0.0000000 0.2452513), wk = 0.0034722 k( 224) = ( 0.5000000 -0.0000000 0.2335727), wk = 0.0034722 k( 225) = ( 0.5000000 -0.0000000 0.2218941), wk = 0.0034722 k( 226) = ( 0.5000000 -0.0000000 0.2102154), wk = 0.0034722 k( 227) = ( 0.5000000 -0.0000000 0.1985368), wk = 0.0034722 k( 228) = ( 0.5000000 -0.0000000 0.1868582), wk = 0.0034722 k( 229) = ( 0.5000000 -0.0000000 0.1751795), wk = 0.0034722 k( 230) = ( 0.5000000 -0.0000000 0.1635009), wk = 0.0034722 k( 231) = ( 0.5000000 -0.0000000 0.1518223), wk = 0.0034722 k( 232) = ( 0.5000000 -0.0000000 0.1401436), wk = 0.0034722 k( 233) = ( 0.5000000 -0.0000000 0.1284650), wk = 0.0034722 k( 234) = ( 0.5000000 -0.0000000 0.1167863), wk = 0.0034722 k( 235) = ( 0.5000000 -0.0000000 0.1051077), wk = 0.0034722 k( 236) = ( 0.5000000 -0.0000000 0.0934291), wk = 0.0034722 k( 237) = ( 0.5000000 -0.0000000 0.0817504), wk = 0.0034722 k( 238) = ( 0.5000000 -0.0000000 0.0700718), wk = 0.0034722 k( 239) = ( 0.5000000 -0.0000000 0.0583932), wk = 0.0034722 k( 240) = ( 0.5000000 -0.0000000 0.0467145), wk = 0.0034722 k( 241) = ( 0.5000000 -0.0000000 0.0350359), wk = 0.0034722 k( 242) = ( 0.5000000 -0.0000000 0.0233573), wk = 0.0034722 k( 243) = ( 0.5000000 -0.0000000 0.0116786), wk = 0.0034722 k( 244) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 245) = ( 0.0000000 0.0000000 0.2686086), wk = 0.0034722 k( 246) = ( 0.0116279 -0.0000000 0.2686086), wk = 0.0034722 k( 247) = ( 0.0232558 -0.0000000 0.2686086), wk = 0.0034722 k( 248) = ( 0.0348837 -0.0000000 0.2686086), wk = 0.0034722 k( 249) = ( 0.0465116 -0.0000000 0.2686086), wk = 0.0034722 k( 250) = ( 0.0581395 -0.0000000 0.2686086), wk = 0.0034722 k( 251) = ( 0.0697674 -0.0000000 0.2686086), wk = 0.0034722 k( 252) = ( 0.0813954 -0.0000000 0.2686086), wk = 0.0034722 k( 253) = ( 0.0930233 -0.0000000 0.2686086), wk = 0.0034722 k( 254) = ( 0.1046512 -0.0000000 0.2686086), wk = 0.0034722 k( 255) = ( 0.1162791 -0.0000000 0.2686086), wk = 0.0034722 k( 256) = ( 0.1279070 -0.0000000 0.2686086), wk = 0.0034722 k( 257) = ( 0.1395349 -0.0000000 0.2686086), wk = 0.0034722 k( 258) = ( 0.1511628 -0.0000000 0.2686086), wk = 0.0034722 k( 259) = ( 0.1627907 -0.0000000 0.2686086), wk = 0.0034722 k( 260) = ( 0.1744186 -0.0000000 0.2686086), wk = 0.0034722 k( 261) = ( 0.1860465 -0.0000000 0.2686086), wk = 0.0034722 k( 262) = ( 0.1976744 -0.0000000 0.2686086), wk = 0.0034722 k( 263) = ( 0.2093023 -0.0000000 0.2686086), wk = 0.0034722 k( 264) = ( 0.2209302 -0.0000000 0.2686086), wk = 0.0034722 k( 265) = ( 0.2325581 -0.0000000 0.2686086), wk = 0.0034722 k( 266) = ( 0.2441860 -0.0000000 0.2686086), wk = 0.0034722 k( 267) = ( 0.2558140 -0.0000000 0.2686086), wk = 0.0034722 k( 268) = ( 0.2674419 -0.0000000 0.2686086), wk = 0.0034722 k( 269) = ( 0.2790698 -0.0000000 0.2686086), wk = 0.0034722 k( 270) = ( 0.2906977 -0.0000000 0.2686086), wk = 0.0034722 k( 271) = ( 0.3023256 -0.0000000 0.2686086), wk = 0.0034722 k( 272) = ( 0.3139535 -0.0000000 0.2686086), wk = 0.0034722 k( 273) = ( 0.3255814 -0.0000000 0.2686086), wk = 0.0034722 k( 274) = ( 0.3372093 -0.0000000 0.2686086), wk = 0.0034722 k( 275) = ( 0.3488372 -0.0000000 0.2686086), wk = 0.0034722 k( 276) = ( 0.3604651 -0.0000000 0.2686086), wk = 0.0034722 k( 277) = ( 0.3720930 -0.0000000 0.2686086), wk = 0.0034722 k( 278) = ( 0.3837209 -0.0000000 0.2686086), wk = 0.0034722 k( 279) = ( 0.3953488 -0.0000000 0.2686086), wk = 0.0034722 k( 280) = ( 0.4069767 -0.0000000 0.2686086), wk = 0.0034722 k( 281) = ( 0.4186047 -0.0000000 0.2686086), wk = 0.0034722 k( 282) = ( 0.4302326 -0.0000000 0.2686086), wk = 0.0034722 k( 283) = ( 0.4418605 -0.0000000 0.2686086), wk = 0.0034722 k( 284) = ( 0.4534884 -0.0000000 0.2686086), wk = 0.0034722 k( 285) = ( 0.4651163 -0.0000000 0.2686086), wk = 0.0034722 k( 286) = ( 0.4767442 -0.0000000 0.2686086), wk = 0.0034722 k( 287) = ( 0.4883721 -0.0000000 0.2686086), wk = 0.0034722 k( 288) = ( 0.5000000 -0.0000000 0.2686086), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0034722 k( 3) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0034722 k( 4) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0034722 k( 5) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0034722 k( 6) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0034722 k( 7) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0034722 k( 8) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0034722 k( 9) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0034722 k( 10) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0034722 k( 11) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0034722 k( 12) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0034722 k( 13) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0034722 k( 14) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0034722 k( 15) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0034722 k( 16) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0034722 k( 17) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0034722 k( 18) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0034722 k( 19) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0034722 k( 20) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0034722 k( 21) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0034722 k( 22) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0034722 k( 23) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0034722 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 26) = ( 0.0000000 0.0163904 0.5078559), wk = 0.0034722 k( 27) = ( 0.0000000 0.0327808 0.5157119), wk = 0.0034722 k( 28) = ( 0.0000000 0.0491712 0.5235678), wk = 0.0034722 k( 29) = ( 0.0000000 0.0655617 0.5314237), wk = 0.0034722 k( 30) = ( 0.0000000 0.0819521 0.5392797), wk = 0.0034722 k( 31) = ( 0.0000000 0.0983425 0.5471356), wk = 0.0034722 k( 32) = ( 0.0000000 0.1147329 0.5549915), wk = 0.0034722 k( 33) = ( 0.0000000 0.1311233 0.5628475), wk = 0.0034722 k( 34) = ( 0.0000000 0.1475137 0.5707034), wk = 0.0034722 k( 35) = ( 0.0000000 0.1639042 0.5785593), wk = 0.0034722 k( 36) = ( 0.0000000 0.1802946 0.5864153), wk = 0.0034722 k( 37) = ( 0.0000000 0.1966850 0.5942712), wk = 0.0034722 k( 38) = ( 0.0000000 0.2130754 0.6021271), wk = 0.0034722 k( 39) = ( 0.0000000 0.2294658 0.6099831), wk = 0.0034722 k( 40) = ( 0.0000000 0.2458563 0.6178390), wk = 0.0034722 k( 41) = ( 0.0000000 0.2622467 0.6256949), wk = 0.0034722 k( 42) = ( 0.0000000 0.2786371 0.6335509), wk = 0.0034722 k( 43) = ( 0.0000000 0.2950275 0.6414068), wk = 0.0034722 k( 44) = ( 0.0000000 0.3114179 0.6492627), wk = 0.0034722 k( 45) = ( 0.0000000 0.3278083 0.6571187), wk = 0.0034722 k( 46) = ( 0.0000000 0.3441987 0.6649746), wk = 0.0034722 k( 47) = ( 0.0000000 0.3605892 0.6728305), wk = 0.0034722 k( 48) = ( 0.0000000 0.3769796 0.6806865), wk = 0.0034722 k( 49) = ( 0.0000000 0.3933700 0.6885424), wk = 0.0034722 k( 50) = ( 0.0000000 0.4097604 0.6963983), wk = 0.0034722 k( 51) = ( 0.0000000 0.4261508 0.7042543), wk = 0.0034722 k( 52) = ( 0.0000000 0.4261508 0.7042543), wk = 0.0034722 k( 53) = ( 0.0000000 0.4323049 0.6872331), wk = 0.0034722 k( 54) = ( 0.0000000 0.4384590 0.6702119), wk = 0.0034722 k( 55) = ( 0.0000000 0.4446131 0.6531907), wk = 0.0034722 k( 56) = ( 0.0000000 0.4507672 0.6361695), wk = 0.0034722 k( 57) = ( 0.0000000 0.4569213 0.6191483), wk = 0.0034722 k( 58) = ( 0.0000000 0.4630754 0.6021271), wk = 0.0034722 k( 59) = ( 0.0000000 0.4692295 0.5851059), wk = 0.0034722 k( 60) = ( 0.0000000 0.4753836 0.5680848), wk = 0.0034722 k( 61) = ( 0.0000000 0.4815377 0.5510636), wk = 0.0034722 k( 62) = ( 0.0000000 0.4876918 0.5340424), wk = 0.0034722 k( 63) = ( 0.0000000 0.4938459 0.5170212), wk = 0.0034722 k( 64) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034722 k( 65) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034722 k( 66) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0034722 k( 67) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0034722 k( 68) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0034722 k( 69) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0034722 k( 70) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0034722 k( 71) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0034722 k( 72) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0034722 k( 73) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0034722 k( 74) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0034722 k( 75) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0034722 k( 76) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0034722 k( 77) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0034722 k( 78) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0034722 k( 79) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0034722 k( 80) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0034722 k( 81) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0034722 k( 82) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0034722 k( 83) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0034722 k( 84) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0034722 k( 85) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0034722 k( 86) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0034722 k( 87) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0034722 k( 88) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0034722 k( 89) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0034722 k( 90) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0034722 k( 91) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0034722 k( 92) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0034722 k( 93) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0034722 k( 94) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0034722 k( 95) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0034722 k( 96) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0034722 k( 97) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0034722 k( 98) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0034722 k( 99) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0034722 k( 100) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0034722 k( 101) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0034722 k( 102) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0034722 k( 103) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0034722 k( 104) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0034722 k( 105) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0034722 k( 106) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0034722 k( 107) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0034722 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 109) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 110) = ( 0.5000000 0.5061541 0.4829788), wk = 0.0034722 k( 111) = ( 0.5000000 0.5123082 0.4659576), wk = 0.0034722 k( 112) = ( 0.5000000 0.5184623 0.4489364), wk = 0.0034722 k( 113) = ( 0.5000000 0.5246164 0.4319152), wk = 0.0034722 k( 114) = ( 0.5000000 0.5307705 0.4148941), wk = 0.0034722 k( 115) = ( 0.5000000 0.5369246 0.3978729), wk = 0.0034722 k( 116) = ( 0.5000000 0.5430787 0.3808517), wk = 0.0034722 k( 117) = ( 0.5000000 0.5492328 0.3638305), wk = 0.0034722 k( 118) = ( 0.5000000 0.5553869 0.3468093), wk = 0.0034722 k( 119) = ( 0.5000000 0.5615410 0.3297881), wk = 0.0034722 k( 120) = ( 0.5000000 0.5676951 0.3127669), wk = 0.0034722 k( 121) = ( 0.5000000 0.5738492 0.2957457), wk = 0.0034722 k( 122) = ( 0.5000000 0.5738492 0.2957457), wk = 0.0034722 k( 123) = ( 0.5000000 0.5681685 0.2729960), wk = 0.0034722 k( 124) = ( 0.5000000 0.5624878 0.2502464), wk = 0.0034722 k( 125) = ( 0.5000000 0.5568071 0.2274967), wk = 0.0034722 k( 126) = ( 0.5000000 0.5511263 0.2047470), wk = 0.0034722 k( 127) = ( 0.5000000 0.5454456 0.1819974), wk = 0.0034722 k( 128) = ( 0.5000000 0.5397649 0.1592477), wk = 0.0034722 k( 129) = ( 0.5000000 0.5340842 0.1364980), wk = 0.0034722 k( 130) = ( 0.5000000 0.5284035 0.1137484), wk = 0.0034722 k( 131) = ( 0.5000000 0.5227228 0.0909987), wk = 0.0034722 k( 132) = ( 0.5000000 0.5170421 0.0682490), wk = 0.0034722 k( 133) = ( 0.5000000 0.5113614 0.0454993), wk = 0.0034722 k( 134) = ( 0.5000000 0.5056807 0.0227497), wk = 0.0034722 k( 135) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 136) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 137) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0034722 k( 138) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0034722 k( 139) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0034722 k( 140) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0034722 k( 141) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0034722 k( 142) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0034722 k( 143) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0034722 k( 144) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0034722 k( 145) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0034722 k( 146) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0034722 k( 147) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0034722 k( 148) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0034722 k( 149) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0034722 k( 150) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0034722 k( 151) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0034722 k( 152) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0034722 k( 153) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0034722 k( 154) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0034722 k( 155) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0034722 k( 156) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0034722 k( 157) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0034722 k( 158) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0034722 k( 159) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0034722 k( 160) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0034722 k( 161) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0034722 k( 162) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0034722 k( 163) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0034722 k( 164) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0034722 k( 165) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0034722 k( 166) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0034722 k( 167) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0034722 k( 168) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0034722 k( 169) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0034722 k( 170) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0034722 k( 171) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0034722 k( 172) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0034722 k( 173) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0034722 k( 174) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0034722 k( 175) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0034722 k( 176) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0034722 k( 177) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0034722 k( 178) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0034722 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034722 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034722 k( 181) = ( 0.0000000 0.5056807 0.0227497), wk = 0.0034722 k( 182) = ( 0.0000000 0.5113614 0.0454993), wk = 0.0034722 k( 183) = ( 0.0000000 0.5170421 0.0682490), wk = 0.0034722 k( 184) = ( 0.0000000 0.5227228 0.0909987), wk = 0.0034722 k( 185) = ( 0.0000000 0.5284035 0.1137484), wk = 0.0034722 k( 186) = ( 0.0000000 0.5340842 0.1364980), wk = 0.0034722 k( 187) = ( 0.0000000 0.5397649 0.1592477), wk = 0.0034722 k( 188) = ( 0.0000000 0.5454456 0.1819974), wk = 0.0034722 k( 189) = ( 0.0000000 0.5511263 0.2047470), wk = 0.0034722 k( 190) = ( 0.0000000 0.5568071 0.2274967), wk = 0.0034722 k( 191) = ( 0.0000000 0.5624878 0.2502464), wk = 0.0034722 k( 192) = ( 0.0000000 0.5681685 0.2729960), wk = 0.0034722 k( 193) = ( 0.0000000 0.5738492 0.2957457), wk = 0.0034722 k( 194) = ( 0.5000000 0.4261508 0.7042543), wk = 0.0034722 k( 195) = ( 0.5000000 0.4097604 0.6963983), wk = 0.0034722 k( 196) = ( 0.5000000 0.3933700 0.6885424), wk = 0.0034722 k( 197) = ( 0.5000000 0.3769796 0.6806865), wk = 0.0034722 k( 198) = ( 0.5000000 0.3605892 0.6728305), wk = 0.0034722 k( 199) = ( 0.5000000 0.3441987 0.6649746), wk = 0.0034722 k( 200) = ( 0.5000000 0.3278083 0.6571187), wk = 0.0034722 k( 201) = ( 0.5000000 0.3114179 0.6492627), wk = 0.0034722 k( 202) = ( 0.5000000 0.2950275 0.6414068), wk = 0.0034722 k( 203) = ( 0.5000000 0.2786371 0.6335509), wk = 0.0034722 k( 204) = ( 0.5000000 0.2622467 0.6256949), wk = 0.0034722 k( 205) = ( 0.5000000 0.2458563 0.6178390), wk = 0.0034722 k( 206) = ( 0.5000000 0.2294658 0.6099831), wk = 0.0034722 k( 207) = ( 0.5000000 0.2130754 0.6021271), wk = 0.0034722 k( 208) = ( 0.5000000 0.1966850 0.5942712), wk = 0.0034722 k( 209) = ( 0.5000000 0.1802946 0.5864153), wk = 0.0034722 k( 210) = ( 0.5000000 0.1639042 0.5785593), wk = 0.0034722 k( 211) = ( 0.5000000 0.1475137 0.5707034), wk = 0.0034722 k( 212) = ( 0.5000000 0.1311233 0.5628475), wk = 0.0034722 k( 213) = ( 0.5000000 0.1147329 0.5549915), wk = 0.0034722 k( 214) = ( 0.5000000 0.0983425 0.5471356), wk = 0.0034722 k( 215) = ( 0.5000000 0.0819521 0.5392797), wk = 0.0034722 k( 216) = ( 0.5000000 0.0655617 0.5314237), wk = 0.0034722 k( 217) = ( 0.5000000 0.0491712 0.5235678), wk = 0.0034722 k( 218) = ( 0.5000000 0.0327808 0.5157119), wk = 0.0034722 k( 219) = ( 0.5000000 0.0163904 0.5078559), wk = 0.0034722 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 222) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0034722 k( 223) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0034722 k( 224) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0034722 k( 225) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0034722 k( 226) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0034722 k( 227) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0034722 k( 228) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0034722 k( 229) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0034722 k( 230) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0034722 k( 231) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0034722 k( 232) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0034722 k( 233) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0034722 k( 234) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0034722 k( 235) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0034722 k( 236) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0034722 k( 237) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0034722 k( 238) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0034722 k( 239) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0034722 k( 240) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0034722 k( 241) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0034722 k( 242) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0034722 k( 243) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0034722 k( 244) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034722 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 246) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0034722 k( 247) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0034722 k( 248) = ( 0.0348837 -0.0000000 0.5000000), wk = 0.0034722 k( 249) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0034722 k( 250) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0034722 k( 251) = ( 0.0697674 -0.0000000 0.5000000), wk = 0.0034722 k( 252) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0034722 k( 253) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0034722 k( 254) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0034722 k( 255) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0034722 k( 256) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0034722 k( 257) = ( 0.1395349 -0.0000000 0.5000000), wk = 0.0034722 k( 258) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0034722 k( 259) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0034722 k( 260) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0034722 k( 261) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0034722 k( 262) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0034722 k( 263) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0034722 k( 264) = ( 0.2209302 -0.0000000 0.5000000), wk = 0.0034722 k( 265) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0034722 k( 266) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0034722 k( 267) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0034722 k( 268) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0034722 k( 269) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0034722 k( 270) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0034722 k( 271) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0034722 k( 272) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0034722 k( 273) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0034722 k( 274) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0034722 k( 275) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0034722 k( 276) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0034722 k( 277) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0034722 k( 278) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0034722 k( 279) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0034722 k( 280) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0034722 k( 281) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0034722 k( 282) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0034722 k( 283) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0034722 k( 284) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0034722 k( 285) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0034722 k( 286) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0034722 k( 287) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0034722 k( 288) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 Dense grid: 54691 G-vectors FFT dimensions: ( 36, 50, 72) Smooth grid: 42689 G-vectors FFT dimensions: ( 32, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 322, 56) NL pseudopotentials 0.49 Mb ( 161, 200) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1522) G-vector shells 0.01 Mb ( 1522) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 322, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.34 Mb ( 200, 2, 56) The potential is recalculated from file : ./Zr2NiP.save/charge-density.dat Starting wfc are 124 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.9 secs Computing kpt #: 2 total cpu time spent up to now is 7.8 secs Computing kpt #: 3 total cpu time spent up to now is 8.7 secs Computing kpt #: 4 total cpu time spent up to now is 9.6 secs Computing kpt #: 5 total cpu time spent up to now is 10.4 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.0 secs Computing kpt #: 9 total cpu time spent up to now is 13.8 secs Computing kpt #: 10 total cpu time spent up to now is 14.6 secs Computing kpt #: 11 total cpu time spent up to now is 15.5 secs Computing kpt #: 12 total cpu time spent up to now is 16.4 secs Computing kpt #: 13 total cpu time spent up to now is 17.3 secs Computing kpt #: 14 total cpu time spent up to now is 18.2 secs Computing kpt #: 15 total cpu time spent up to now is 19.2 secs Computing kpt #: 16 total cpu time spent up to now is 20.2 secs Computing kpt #: 17 total cpu time spent up to now is 21.3 secs Computing kpt #: 18 total cpu time spent up to now is 22.5 secs Computing kpt #: 19 total cpu time spent up to now is 23.7 secs Computing kpt #: 20 total cpu time spent up to now is 24.7 secs Computing kpt #: 21 total cpu time spent up to now is 25.6 secs Computing kpt #: 22 total cpu time spent up to now is 26.5 secs Computing kpt #: 23 total cpu time spent up to now is 27.4 secs Computing kpt #: 24 total cpu time spent up to now is 28.2 secs Computing kpt #: 25 total cpu time spent up to now is 28.9 secs Computing kpt #: 26 total cpu time spent up to now is 29.7 secs Computing kpt #: 27 total cpu time spent up to now is 30.5 secs Computing kpt #: 28 total cpu time spent up to now is 31.4 secs Computing kpt #: 29 total cpu time spent up to now is 32.5 secs Computing kpt #: 30 total cpu time spent up to now is 33.7 secs Computing kpt #: 31 total cpu time spent up to now is 35.3 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 37.2 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.0 secs Computing kpt #: 34 total cpu time spent up to now is 40.7 secs Computing kpt #: 35 total cpu time spent up to now is 42.1 secs Computing kpt #: 36 total cpu time spent up to now is 43.4 secs Computing kpt #: 37 total cpu time spent up to now is 44.7 secs Computing kpt #: 38 total cpu time spent up to now is 45.9 secs Computing kpt #: 39 total cpu time spent up to now is 47.2 secs Computing kpt #: 40 total cpu time spent up to now is 48.4 secs Computing kpt #: 41 total cpu time spent up to now is 49.7 secs Computing kpt #: 42 total cpu time spent up to now is 50.9 secs Computing kpt #: 43 total cpu time spent up to now is 52.1 secs Computing kpt #: 44 total cpu time spent up to now is 53.3 secs Computing kpt #: 45 total cpu time spent up to now is 54.5 secs Computing kpt #: 46 total cpu time spent up to now is 55.7 secs Computing kpt #: 47 total cpu time spent up to now is 56.8 secs Computing kpt #: 48 total cpu time spent up to now is 58.0 secs Computing kpt #: 49 total cpu time spent up to now is 59.1 secs Computing kpt #: 50 total cpu time spent up to now is 60.2 secs Computing kpt #: 51 total cpu time spent up to now is 61.2 secs Computing kpt #: 52 total cpu time spent up to now is 62.4 secs Computing kpt #: 53 total cpu time spent up to now is 63.4 secs Computing kpt #: 54 total cpu time spent up to now is 64.4 secs Computing kpt #: 55 total cpu time spent up to now is 65.4 secs Computing kpt #: 56 total cpu time spent up to now is 66.4 secs Computing kpt #: 57 total cpu time spent up to now is 67.3 secs Computing kpt #: 58 total cpu time spent up to now is 68.2 secs Computing kpt #: 59 total cpu time spent up to now is 69.1 secs Computing kpt #: 60 total cpu time spent up to now is 70.0 secs Computing kpt #: 61 total cpu time spent up to now is 70.8 secs Computing kpt #: 62 total cpu time spent up to now is 71.7 secs Computing kpt #: 63 total cpu time spent up to now is 72.6 secs Computing kpt #: 64 total cpu time spent up to now is 73.4 secs Computing kpt #: 65 total cpu time spent up to now is 74.2 secs Computing kpt #: 66 total cpu time spent up to now is 75.1 secs Computing kpt #: 67 total cpu time spent up to now is 76.0 secs Computing kpt #: 68 total cpu time spent up to now is 77.0 secs Computing kpt #: 69 total cpu time spent up to now is 78.0 secs Computing kpt #: 70 total cpu time spent up to now is 79.0 secs Computing kpt #: 71 total cpu time spent up to now is 80.0 secs Computing kpt #: 72 total cpu time spent up to now is 81.0 secs Computing kpt #: 73 total cpu time spent up to now is 82.1 secs Computing kpt #: 74 total cpu time spent up to now is 83.1 secs Computing kpt #: 75 total cpu time spent up to now is 84.1 secs Computing kpt #: 76 total cpu time spent up to now is 85.2 secs Computing kpt #: 77 total cpu time spent up to now is 86.3 secs Computing kpt #: 78 total cpu time spent up to now is 87.3 secs Computing kpt #: 79 total cpu time spent up to now is 88.4 secs Computing kpt #: 80 total cpu time spent up to now is 89.4 secs Computing kpt #: 81 total cpu time spent up to now is 90.4 secs Computing kpt #: 82 total cpu time spent up to now is 91.3 secs Computing kpt #: 83 total cpu time spent up to now is 92.1 secs Computing kpt #: 84 total cpu time spent up to now is 93.0 secs Computing kpt #: 85 total cpu time spent up to now is 93.8 secs Computing kpt #: 86 total cpu time spent up to now is 94.5 secs Computing kpt #: 87 total cpu time spent up to now is 95.3 secs Computing kpt #: 88 total cpu time spent up to now is 96.0 secs Computing kpt #: 89 total cpu time spent up to now is 96.7 secs Computing kpt #: 90 total cpu time spent up to now is 97.5 secs Computing kpt #: 91 total cpu time spent up to now is 98.2 secs Computing kpt #: 92 total cpu time spent up to now is 98.9 secs Computing kpt #: 93 total cpu time spent up to now is 99.6 secs Computing kpt #: 94 total cpu time spent up to now is 100.3 secs Computing kpt #: 95 total cpu time spent up to now is 101.0 secs Computing kpt #: 96 total cpu time spent up to now is 101.7 secs Computing kpt #: 97 total cpu time spent up to now is 102.4 secs Computing kpt #: 98 total cpu time spent up to now is 103.1 secs Computing kpt #: 99 total cpu time spent up to now is 103.8 secs Computing kpt #: 100 total cpu time spent up to now is 104.5 secs Computing kpt #: 101 total cpu time spent up to now is 105.3 secs Computing kpt #: 102 total cpu time spent up to now is 106.1 secs Computing kpt #: 103 total cpu time spent up to now is 107.0 secs Computing kpt #: 104 total cpu time spent up to now is 107.9 secs Computing kpt #: 105 total cpu time spent up to now is 108.9 secs Computing kpt #: 106 total cpu time spent up to now is 110.0 secs Computing kpt #: 107 total cpu time spent up to now is 111.1 secs Computing kpt #: 108 total cpu time spent up to now is 112.2 secs Computing kpt #: 109 total cpu time spent up to now is 113.2 secs Computing kpt #: 110 total cpu time spent up to now is 114.2 secs Computing kpt #: 111 total cpu time spent up to now is 115.1 secs Computing kpt #: 112 total cpu time spent up to now is 116.0 secs Computing kpt #: 113 total cpu time spent up to now is 116.8 secs Computing kpt #: 114 total cpu time spent up to now is 117.5 secs Computing kpt #: 115 total cpu time spent up to now is 118.3 secs Computing kpt #: 116 total cpu time spent up to now is 119.0 secs Computing kpt #: 117 total cpu time spent up to now is 119.6 secs Computing kpt #: 118 total cpu time spent up to now is 120.3 secs Computing kpt #: 119 total cpu time spent up to now is 121.1 secs Computing kpt #: 120 total cpu time spent up to now is 121.7 secs Computing kpt #: 121 total cpu time spent up to now is 122.4 secs Computing kpt #: 122 total cpu time spent up to now is 123.0 secs Computing kpt #: 123 total cpu time spent up to now is 123.7 secs Computing kpt #: 124 total cpu time spent up to now is 124.4 secs Computing kpt #: 125 total cpu time spent up to now is 125.0 secs Computing kpt #: 126 total cpu time spent up to now is 125.7 secs Computing kpt #: 127 total cpu time spent up to now is 126.5 secs Computing kpt #: 128 total cpu time spent up to now is 127.1 secs Computing kpt #: 129 total cpu time spent up to now is 127.8 secs Computing kpt #: 130 total cpu time spent up to now is 128.6 secs Computing kpt #: 131 total cpu time spent up to now is 129.3 secs Computing kpt #: 132 total cpu time spent up to now is 130.1 secs Computing kpt #: 133 total cpu time spent up to now is 130.8 secs Computing kpt #: 134 total cpu time spent up to now is 131.5 secs Computing kpt #: 135 total cpu time spent up to now is 132.2 secs Computing kpt #: 136 total cpu time spent up to now is 133.0 secs Computing kpt #: 137 total cpu time spent up to now is 133.7 secs Computing kpt #: 138 total cpu time spent up to now is 134.5 secs Computing kpt #: 139 total cpu time spent up to now is 135.3 secs Computing kpt #: 140 total cpu time spent up to now is 136.2 secs Computing kpt #: 141 total cpu time spent up to now is 137.1 secs Computing kpt #: 142 total cpu time spent up to now is 138.3 secs Computing kpt #: 143 total cpu time spent up to now is 139.9 secs Computing kpt #: 144 total cpu time spent up to now is 141.0 secs Computing kpt #: 145 total cpu time spent up to now is 142.0 secs Computing kpt #: 146 total cpu time spent up to now is 142.9 secs Computing kpt #: 147 total cpu time spent up to now is 143.9 secs Computing kpt #: 148 total cpu time spent up to now is 144.7 secs Computing kpt #: 149 total cpu time spent up to now is 145.6 secs Computing kpt #: 150 total cpu time spent up to now is 146.4 secs Computing kpt #: 151 total cpu time spent up to now is 147.1 secs Computing kpt #: 152 total cpu time spent up to now is 148.0 secs Computing kpt #: 153 total cpu time spent up to now is 148.7 secs Computing kpt #: 154 total cpu time spent up to now is 149.5 secs Computing kpt #: 155 total cpu time spent up to now is 150.3 secs Computing kpt #: 156 total cpu time spent up to now is 151.1 secs Computing kpt #: 157 total cpu time spent up to now is 152.0 secs Computing kpt #: 158 total cpu time spent up to now is 152.9 secs Computing kpt #: 159 total cpu time spent up to now is 153.9 secs Computing kpt #: 160 total cpu time spent up to now is 154.9 secs Computing kpt #: 161 total cpu time spent up to now is 156.0 secs Computing kpt #: 162 total cpu time spent up to now is 157.0 secs Computing kpt #: 163 total cpu time spent up to now is 157.9 secs Computing kpt #: 164 total cpu time spent up to now is 158.7 secs Computing kpt #: 165 total cpu time spent up to now is 159.5 secs Computing kpt #: 166 total cpu time spent up to now is 160.3 secs Computing kpt #: 167 total cpu time spent up to now is 161.1 secs Computing kpt #: 168 total cpu time spent up to now is 161.9 secs Computing kpt #: 169 total cpu time spent up to now is 162.9 secs Computing kpt #: 170 total cpu time spent up to now is 163.8 secs Computing kpt #: 171 total cpu time spent up to now is 164.6 secs Computing kpt #: 172 total cpu time spent up to now is 165.5 secs Computing kpt #: 173 total cpu time spent up to now is 166.5 secs Computing kpt #: 174 total cpu time spent up to now is 167.3 secs Computing kpt #: 175 total cpu time spent up to now is 168.3 secs Computing kpt #: 176 total cpu time spent up to now is 169.3 secs Computing kpt #: 177 total cpu time spent up to now is 170.4 secs Computing kpt #: 178 total cpu time spent up to now is 171.3 secs Computing kpt #: 179 total cpu time spent up to now is 172.2 secs Computing kpt #: 180 total cpu time spent up to now is 172.9 secs Computing kpt #: 181 total cpu time spent up to now is 173.9 secs Computing kpt #: 182 total cpu time spent up to now is 174.7 secs Computing kpt #: 183 total cpu time spent up to now is 175.4 secs Computing kpt #: 184 total cpu time spent up to now is 176.5 secs Computing kpt #: 185 total cpu time spent up to now is 177.7 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.5 secs Computing kpt #: 187 total cpu time spent up to now is 180.9 secs Computing kpt #: 188 total cpu time spent up to now is 182.0 secs Computing kpt #: 189 total cpu time spent up to now is 183.2 secs Computing kpt #: 190 total cpu time spent up to now is 184.3 secs Computing kpt #: 191 total cpu time spent up to now is 185.5 secs Computing kpt #: 192 total cpu time spent up to now is 186.5 secs Computing kpt #: 193 total cpu time spent up to now is 187.5 secs Computing kpt #: 194 total cpu time spent up to now is 188.2 secs Computing kpt #: 195 total cpu time spent up to now is 188.8 secs Computing kpt #: 196 total cpu time spent up to now is 189.5 secs Computing kpt #: 197 total cpu time spent up to now is 190.1 secs Computing kpt #: 198 total cpu time spent up to now is 190.8 secs Computing kpt #: 199 total cpu time spent up to now is 191.4 secs Computing kpt #: 200 total cpu time spent up to now is 192.1 secs Computing kpt #: 201 total cpu time spent up to now is 192.8 secs Computing kpt #: 202 total cpu time spent up to now is 193.5 secs Computing kpt #: 203 total cpu time spent up to now is 194.1 secs Computing kpt #: 204 total cpu time spent up to now is 194.9 secs Computing kpt #: 205 total cpu time spent up to now is 195.6 secs Computing kpt #: 206 total cpu time spent up to now is 196.3 secs Computing kpt #: 207 total cpu time spent up to now is 197.0 secs Computing kpt #: 208 total cpu time spent up to now is 197.7 secs Computing kpt #: 209 total cpu time spent up to now is 198.4 secs Computing kpt #: 210 total cpu time spent up to now is 199.2 secs Computing kpt #: 211 total cpu time spent up to now is 199.8 secs Computing kpt #: 212 total cpu time spent up to now is 200.6 secs Computing kpt #: 213 total cpu time spent up to now is 201.4 secs Computing kpt #: 214 total cpu time spent up to now is 202.2 secs Computing kpt #: 215 total cpu time spent up to now is 203.1 secs Computing kpt #: 216 total cpu time spent up to now is 203.9 secs Computing kpt #: 217 total cpu time spent up to now is 204.8 secs Computing kpt #: 218 total cpu time spent up to now is 205.6 secs Computing kpt #: 219 total cpu time spent up to now is 206.5 secs Computing kpt #: 220 total cpu time spent up to now is 207.4 secs Computing kpt #: 221 total cpu time spent up to now is 208.2 secs Computing kpt #: 222 total cpu time spent up to now is 209.1 secs Computing kpt #: 223 total cpu time spent up to now is 210.0 secs Computing kpt #: 224 total cpu time spent up to now is 210.9 secs Computing kpt #: 225 total cpu time spent up to now is 211.8 secs Computing kpt #: 226 total cpu time spent up to now is 212.7 secs Computing kpt #: 227 total cpu time spent up to now is 213.6 secs Computing kpt #: 228 total cpu time spent up to now is 214.6 secs Computing kpt #: 229 total cpu time spent up to now is 215.6 secs Computing kpt #: 230 total cpu time spent up to now is 216.6 secs Computing kpt #: 231 total cpu time spent up to now is 217.6 secs Computing kpt #: 232 total cpu time spent up to now is 218.7 secs Computing kpt #: 233 total cpu time spent up to now is 219.7 secs Computing kpt #: 234 total cpu time spent up to now is 220.7 secs Computing kpt #: 235 total cpu time spent up to now is 221.9 secs Computing kpt #: 236 total cpu time spent up to now is 223.2 secs Computing kpt #: 237 total cpu time spent up to now is 224.5 secs Computing kpt #: 238 total cpu time spent up to now is 225.8 secs Computing kpt #: 239 total cpu time spent up to now is 227.3 secs Computing kpt #: 240 total cpu time spent up to now is 228.7 secs Computing kpt #: 241 total cpu time spent up to now is 230.2 secs Computing kpt #: 242 total cpu time spent up to now is 231.8 secs Computing kpt #: 243 total cpu time spent up to now is 233.1 secs Computing kpt #: 244 total cpu time spent up to now is 234.6 secs Computing kpt #: 245 total cpu time spent up to now is 235.4 secs Computing kpt #: 246 total cpu time spent up to now is 236.3 secs Computing kpt #: 247 total cpu time spent up to now is 237.2 secs Computing kpt #: 248 total cpu time spent up to now is 238.1 secs Computing kpt #: 249 total cpu time spent up to now is 238.9 secs Computing kpt #: 250 total cpu time spent up to now is 239.8 secs Computing kpt #: 251 total cpu time spent up to now is 240.6 secs Computing kpt #: 252 total cpu time spent up to now is 241.6 secs Computing kpt #: 253 total cpu time spent up to now is 242.8 secs Computing kpt #: 254 total cpu time spent up to now is 243.8 secs Computing kpt #: 255 total cpu time spent up to now is 244.7 secs Computing kpt #: 256 total cpu time spent up to now is 245.6 secs Computing kpt #: 257 total cpu time spent up to now is 246.5 secs Computing kpt #: 258 total cpu time spent up to now is 247.4 secs Computing kpt #: 259 total cpu time spent up to now is 248.3 secs Computing kpt #: 260 total cpu time spent up to now is 249.1 secs Computing kpt #: 261 total cpu time spent up to now is 250.0 secs Computing kpt #: 262 total cpu time spent up to now is 250.8 secs Computing kpt #: 263 total cpu time spent up to now is 251.7 secs Computing kpt #: 264 total cpu time spent up to now is 252.5 secs Computing kpt #: 265 total cpu time spent up to now is 253.3 secs Computing kpt #: 266 total cpu time spent up to now is 254.2 secs Computing kpt #: 267 total cpu time spent up to now is 255.0 secs Computing kpt #: 268 total cpu time spent up to now is 255.9 secs Computing kpt #: 269 total cpu time spent up to now is 256.7 secs Computing kpt #: 270 total cpu time spent up to now is 257.6 secs Computing kpt #: 271 total cpu time spent up to now is 258.5 secs Computing kpt #: 272 total cpu time spent up to now is 259.3 secs Computing kpt #: 273 total cpu time spent up to now is 260.2 secs Computing kpt #: 274 total cpu time spent up to now is 261.1 secs Computing kpt #: 275 total cpu time spent up to now is 262.0 secs Computing kpt #: 276 total cpu time spent up to now is 262.9 secs Computing kpt #: 277 total cpu time spent up to now is 263.9 secs Computing kpt #: 278 total cpu time spent up to now is 264.9 secs Computing kpt #: 279 total cpu time spent up to now is 265.9 secs Computing kpt #: 280 total cpu time spent up to now is 266.9 secs Computing kpt #: 281 total cpu time spent up to now is 267.8 secs Computing kpt #: 282 total cpu time spent up to now is 268.8 secs Computing kpt #: 283 total cpu time spent up to now is 269.8 secs Computing kpt #: 284 total cpu time spent up to now is 270.8 secs Computing kpt #: 285 total cpu time spent up to now is 271.8 secs Computing kpt #: 286 total cpu time spent up to now is 272.6 secs Computing kpt #: 287 total cpu time spent up to now is 273.5 secs Computing kpt #: 288 total cpu time spent up to now is 274.3 secs ethr = 2.17E-08, avg # of iterations = 38.4 total cpu time spent up to now is 274.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5329 PWs) bands (ev): -1.3654 -1.3654 -0.6207 -0.6207 5.0991 5.0991 5.1486 5.1486 6.2606 6.2606 6.3744 6.3744 6.5815 6.5815 6.9601 6.9601 7.2340 7.2340 7.6433 7.6433 7.9827 7.9827 8.0938 8.0938 8.2009 8.2009 8.2224 8.2224 8.5067 8.5067 8.7318 8.7318 8.8232 8.8232 8.9033 8.9033 9.0529 9.0529 10.2322 10.2322 10.3322 10.3322 10.3907 10.3907 10.5811 10.5811 11.3034 11.3034 11.5279 11.5279 11.7141 11.7141 11.7578 11.7578 12.5242 12.5242 k = 0.0000 0.0000 0.0117 ( 5328 PWs) bands (ev): -1.3645 -1.3645 -0.6216 -0.6216 5.0981 5.0981 5.1499 5.1499 6.2594 6.2594 6.3697 6.3697 6.5820 6.5820 6.9600 6.9600 7.2362 7.2362 7.6471 7.6471 7.9832 7.9832 8.0935 8.0935 8.2003 8.2003 8.2220 8.2220 8.5065 8.5065 8.7301 8.7301 8.8256 8.8256 8.9057 8.9057 9.0545 9.0545 10.2328 10.2328 10.3297 10.3297 10.3879 10.3879 10.5812 10.5812 11.3062 11.3062 11.5311 11.5311 11.7130 11.7130 11.7576 11.7576 12.5163 12.5163 k = 0.0000 0.0000 0.0234 ( 5333 PWs) bands (ev): -1.3619 -1.3619 -0.6241 -0.6241 5.0953 5.0953 5.1537 5.1537 6.2558 6.2558 6.3561 6.3561 6.5832 6.5832 6.9598 6.9598 7.2427 7.2427 7.6581 7.6581 7.9850 7.9850 8.0925 8.0925 8.1983 8.1983 8.2208 8.2208 8.5056 8.5056 8.7255 8.7255 8.8323 8.8323 8.9127 8.9127 9.0596 9.0596 10.2343 10.2343 10.3222 10.3222 10.3796 10.3796 10.5815 10.5815 11.3142 11.3142 11.5406 11.5406 11.7092 11.7092 11.7575 11.7575 12.4935 12.4936 k = 0.0000 0.0000 0.0350 ( 5335 PWs) bands (ev): -1.3576 -1.3576 -0.6282 -0.6282 5.0912 5.0912 5.1595 5.1595 6.2497 6.2497 6.3341 6.3341 6.5853 6.5853 6.9595 6.9595 7.2535 7.2535 7.6757 7.6757 7.9879 7.9879 8.0909 8.0909 8.1950 8.1950 8.2191 8.2191 8.5042 8.5042 8.7186 8.7186 8.8424 8.8424 8.9233 8.9233 9.0692 9.0692 10.2363 10.2363 10.3102 10.3102 10.3665 10.3665 10.5823 10.5823 11.3263 11.3263 11.5567 11.5567 11.7016 11.7016 11.7590 11.7590 12.4586 12.4586 k = 0.0000 0.0000 0.0467 ( 5335 PWs) bands (ev): -1.3516 -1.3516 -0.6340 -0.6340 5.0860 5.0860 5.1672 5.1672 6.2409 6.2409 6.3052 6.3052 6.5881 6.5881 6.9591 6.9591 7.2684 7.2684 7.6989 7.6989 7.9919 7.9919 8.0888 8.0888 8.1905 8.1905 8.2170 8.2170 8.5021 8.5021 8.7101 8.7101 8.8550 8.8550 8.9357 8.9357 9.0846 9.0846 10.2375 10.2375 10.2946 10.2946 10.3492 10.3492 10.5843 10.5843 11.3410 11.3410 11.5795 11.5795 11.6901 11.6901 11.7630 11.7630 12.4148 12.4148 k = 0.0000 0.0000 0.0584 ( 5341 PWs) bands (ev): -1.3439 -1.3439 -0.6413 -0.6413 5.0802 5.0802 5.1765 5.1765 6.2285 6.2285 6.2715 6.2715 6.5917 6.5917 6.9586 6.9586 7.2872 7.2872 7.7264 7.7264 7.9972 7.9972 8.0863 8.0863 8.1849 8.1849 8.2149 8.2149 8.4992 8.4992 8.7002 8.7002 8.8697 8.8697 8.9478 8.9478 9.1073 9.1073 10.2361 10.2361 10.2769 10.2769 10.3289 10.3289 10.5882 10.5882 11.3568 11.3568 11.6073 11.6073 11.6766 11.6766 11.7695 11.7695 12.3652 12.3652 k = 0.0000 0.0000 0.0701 ( 5341 PWs) bands (ev): -1.3345 -1.3345 -0.6503 -0.6503 5.0740 5.0740 5.1873 5.1873 6.2082 6.2082 6.2386 6.2386 6.5961 6.5961 6.9579 6.9579 7.3097 7.3097 7.7569 7.7569 8.0035 8.0035 8.0837 8.0837 8.1783 8.1783 8.2129 8.2129 8.4954 8.4954 8.6893 8.6893 8.8860 8.8860 8.9583 8.9583 9.1384 9.1384 10.2284 10.2284 10.2601 10.2601 10.3067 10.3067 10.5949 10.5949 11.3729 11.3729 11.6278 11.6278 11.6741 11.6741 11.7784 11.7784 12.3127 12.3127 k = 0.0000 0.0000 0.0818 ( 5345 PWs) bands (ev): -1.3236 -1.3236 -0.6608 -0.6608 5.0676 5.0676 5.1997 5.1997 6.1725 6.1725 6.2154 6.2154 6.6011 6.6011 6.9570 6.9570 7.3355 7.3355 7.7890 7.7890 8.0108 8.0108 8.0813 8.0813 8.1708 8.1708 8.2114 8.2114 8.4908 8.4908 8.6773 8.6773 8.9032 8.9032 8.9671 8.9671 9.1774 9.1774 10.2114 10.2114 10.2461 10.2461 10.2840 10.2840 10.6054 10.6054 11.3890 11.3890 11.6178 11.6178 11.7050 11.7050 11.7897 11.7897 12.2592 12.2592 k = 0.0000 0.0000 0.0934 ( 5344 PWs) bands (ev): -1.3111 -1.3111 -0.6729 -0.6729 5.0614 5.0614 5.2134 5.2134 6.1276 6.1276 6.1968 6.1968 6.6067 6.6067 6.9560 6.9560 7.3644 7.3644 7.8215 7.8215 8.0187 8.0187 8.0797 8.0797 8.1626 8.1626 8.2106 8.2106 8.4854 8.4854 8.6645 8.6645 8.9193 8.9193 8.9763 8.9763 9.2231 9.2231 10.1875 10.1875 10.2310 10.2310 10.2626 10.2626 10.6206 10.6206 11.4050 11.4050 11.5960 11.5960 11.7485 11.7485 11.8056 11.8056 12.2065 12.2065 k = 0.0000 0.0000 0.1051 ( 5344 PWs) bands (ev): -1.2971 -1.2971 -0.6864 -0.6864 5.0555 5.0555 5.2284 5.2284 6.0793 6.0793 6.1782 6.1782 6.6129 6.6129 6.9549 6.9549 7.3961 7.3961 7.8530 7.8530 8.0264 8.0264 8.0800 8.0800 8.1540 8.1540 8.2106 8.2106 8.4793 8.4793 8.6508 8.6508 8.9311 8.9311 8.9898 8.9898 9.2740 9.2740 10.1599 10.1599 10.2115 10.2115 10.2428 10.2428 10.6409 10.6409 11.4211 11.4211 11.5714 11.5714 11.7858 11.7858 11.8347 11.8347 12.1557 12.1557 k = 0.0000 0.0000 0.1168 ( 5346 PWs) bands (ev): -1.2816 -1.2816 -0.7013 -0.7013 5.0502 5.0502 5.2447 5.2447 6.0297 6.0297 6.1587 6.1587 6.6194 6.6194 6.9536 6.9536 7.4301 7.4301 7.8824 7.8824 8.0323 8.0323 8.0835 8.0835 8.1454 8.1454 8.2115 8.2115 8.4726 8.4726 8.6362 8.6362 8.9363 8.9363 9.0104 9.0104 9.3284 9.3284 10.1299 10.1299 10.1888 10.1888 10.2234 10.2234 10.6663 10.6663 11.4378 11.4378 11.5463 11.5463 11.8073 11.8073 11.8840 11.8840 12.1078 12.1078 k = 0.0000 0.0000 0.1285 ( 5342 PWs) bands (ev): -1.2649 -1.2649 -0.7176 -0.7176 5.0457 5.0457 5.2619 5.2619 5.9799 5.9799 6.1381 6.1381 6.6264 6.6264 6.9522 6.9522 7.4663 7.4663 7.9089 7.9089 8.0352 8.0352 8.0906 8.0906 8.1377 8.1377 8.2136 8.2136 8.4653 8.4653 8.6209 8.6209 8.9362 8.9362 9.0373 9.0373 9.3849 9.3849 10.0981 10.0981 10.1635 10.1635 10.2040 10.2040 10.6965 10.6965 11.4546 11.4546 11.5221 11.5221 11.8223 11.8223 11.9423 11.9423 12.0640 12.0640 k = 0.0000 0.0000 0.1401 ( 5341 PWs) bands (ev): -1.2468 -1.2468 -0.7352 -0.7352 5.0421 5.0421 5.2800 5.2800 5.9308 5.9308 6.1165 6.1165 6.6336 6.6336 6.9507 6.9507 7.5041 7.5041 7.9320 7.9320 8.0355 8.0355 8.0978 8.0978 8.1335 8.1335 8.2170 8.2170 8.4578 8.4578 8.6050 8.6050 8.9332 8.9332 9.0688 9.0688 9.4420 9.4420 10.0653 10.0653 10.1347 10.1347 10.1859 10.1859 10.7308 10.7308 11.4682 11.4682 11.5033 11.5033 11.8352 11.8352 11.9970 11.9970 12.0315 12.0315 k = 0.0000 0.0000 0.1518 ( 5340 PWs) bands (ev): -1.2275 -1.2275 -0.7539 -0.7539 5.0395 5.0395 5.2987 5.2987 5.8831 5.8831 6.0941 6.0941 6.6408 6.6408 6.9490 6.9490 7.5433 7.5433 7.9514 7.9514 8.0344 8.0344 8.0986 8.0986 8.1372 8.1372 8.2220 8.2220 8.4501 8.4501 8.5884 8.5884 8.9287 8.9287 9.1038 9.1038 9.4984 9.4984 10.0323 10.0323 10.1014 10.1014 10.1707 10.1707 10.7686 10.7686 11.4626 11.4626 11.5067 11.5067 11.8470 11.8470 11.9812 11.9812 12.0753 12.0753 k = 0.0000 0.0000 0.1635 ( 5333 PWs) bands (ev): -1.2072 -1.2072 -0.7738 -0.7738 5.0381 5.0381 5.3178 5.3178 5.8375 5.8375 6.0713 6.0713 6.6481 6.6481 6.9473 6.9473 7.5835 7.5835 7.9673 7.9673 8.0329 8.0329 8.0930 8.0930 8.1468 8.1468 8.2289 8.2289 8.4425 8.4425 8.5714 8.5714 8.9238 8.9238 9.1418 9.1418 9.5524 9.5524 9.9999 9.9999 10.0637 10.0637 10.1586 10.1586 10.8090 10.8090 11.4439 11.4439 11.5264 11.5264 11.8576 11.8576 11.9502 11.9502 12.1393 12.1393 k = 0.0000 0.0000 0.1752 ( 5332 PWs) bands (ev): -1.1858 -1.1858 -0.7948 -0.7948 5.0377 5.0377 5.3367 5.3367 5.7946 5.7946 6.0483 6.0483 6.6552 6.6552 6.9455 6.9455 7.6242 7.6242 7.9797 7.9797 8.0320 8.0320 8.0850 8.0850 8.1564 8.1564 8.2375 8.2375 8.4352 8.4352 8.5543 8.5543 8.9192 8.9192 9.1825 9.1825 9.6025 9.6025 9.9687 9.9687 10.0228 10.0228 10.1494 10.1494 10.8511 10.8511 11.4247 11.4247 11.5504 11.5504 11.8666 11.8666 11.9232 11.9232 12.2039 12.2039 k = 0.0000 0.0000 0.1869 ( 5325 PWs) bands (ev): -1.1636 -1.1636 -0.8166 -0.8166 5.0385 5.0385 5.3552 5.3552 5.7553 5.7553 6.0256 6.0256 6.6620 6.6620 6.9437 6.9437 7.6649 7.6649 7.9888 7.9888 8.0320 8.0320 8.0764 8.0764 8.1632 8.1632 8.2473 8.2473 8.4286 8.4286 8.5374 8.5374 8.9155 8.9155 9.2255 9.2255 9.6468 9.6468 9.9387 9.9387 9.9812 9.9812 10.1424 10.1424 10.8940 10.8940 11.4068 11.4068 11.5767 11.5767 11.8726 11.8726 11.9023 11.9023 12.2669 12.2669 k = 0.0000 0.0000 0.1985 ( 5328 PWs) bands (ev): -1.1406 -1.1406 -0.8393 -0.8393 5.0401 5.0401 5.3727 5.3727 5.7200 5.7200 6.0037 6.0037 6.6683 6.6683 6.9420 6.9420 7.7051 7.7051 7.9946 7.9946 8.0333 8.0333 8.0681 8.0681 8.1667 8.1667 8.2570 8.2570 8.4231 8.4231 8.5211 8.5211 8.9130 8.9130 9.2707 9.2707 9.6831 9.6831 9.9053 9.9053 9.9461 9.9461 10.1371 10.1371 10.9365 10.9365 11.3908 11.3908 11.6044 11.6044 11.8702 11.8703 11.8926 11.8926 12.3178 12.3178 k = 0.0000 0.0000 0.2102 ( 5329 PWs) bands (ev): -1.1170 -1.1170 -0.8626 -0.8626 5.0424 5.0424 5.3885 5.3885 5.6896 5.6896 5.9831 5.9831 6.6740 6.6740 6.9403 6.9403 7.7439 7.7439 7.9976 7.9976 8.0353 8.0353 8.0603 8.0603 8.1672 8.1672 8.2655 8.2655 8.4188 8.4188 8.5059 8.5059 8.9118 8.9118 9.3176 9.3176 9.7089 9.7089 9.8627 9.8627 9.9263 9.9263 10.1332 10.1332 10.9773 10.9773 11.3766 11.3766 11.6326 11.6326 11.8608 11.8608 11.8930 11.8930 12.2657 12.2657 k = 0.0000 0.0000 0.2219 ( 5328 PWs) bands (ev): -1.0929 -1.0929 -0.8864 -0.8864 5.0450 5.0450 5.4019 5.4019 5.6645 5.6645 5.9646 5.9646 6.6790 6.6790 6.9389 6.9389 7.7805 7.7805 7.9987 7.9987 8.0369 8.0369 8.0535 8.0535 8.1652 8.1652 8.2722 8.2722 8.4160 8.4160 8.4923 8.4923 8.9117 8.9117 9.3661 9.3661 9.7227 9.7227 9.8147 9.8147 9.9203 9.9203 10.1302 10.1302 11.0148 11.0148 11.3645 11.3645 11.6602 11.6602 11.8531 11.8531 11.8941 11.8941 12.2057 12.2057 k = 0.0000 0.0000 0.2336 ( 5327 PWs) bands (ev): -1.0686 -1.0686 -0.9105 -0.9105 5.0476 5.0476 5.4125 5.4125 5.6453 5.6453 5.9490 5.9490 6.6830 6.6830 6.9376 6.9376 7.8135 7.8135 7.9988 7.9988 8.0371 8.0371 8.0480 8.0480 8.1617 8.1617 8.2769 8.2769 8.4145 8.4145 8.4809 8.4809 8.9125 8.9125 9.4153 9.4153 9.7236 9.7236 9.7680 9.7680 9.9229 9.9229 10.1279 10.1279 11.0474 11.0474 11.3544 11.3544 11.6855 11.6855 11.8495 11.8495 11.8936 11.8936 12.1538 12.1538 k = 0.0000 0.0000 0.2453 ( 5326 PWs) bands (ev): -1.0446 -1.0446 -0.9344 -0.9344 5.0499 5.0499 5.4200 5.4200 5.6320 5.6320 5.9370 5.9370 6.6859 6.6859 6.9367 6.9367 7.8407 7.8407 7.9981 7.9981 8.0357 8.0357 8.0441 8.0441 8.1579 8.1579 8.2799 8.2799 8.4141 8.4141 8.4722 8.4722 8.9135 8.9135 9.4640 9.4640 9.7002 9.7002 9.7408 9.7408 9.9291 9.9291 10.1262 10.1262 11.0729 11.0729 11.3467 11.3467 11.7065 11.7065 11.8497 11.8497 11.8912 11.8912 12.1129 12.1129 k = 0.0000 0.0000 0.2569 ( 5323 PWs) bands (ev): -1.0223 -1.0223 -0.9566 -0.9566 5.0514 5.0514 5.4243 5.4243 5.6244 5.6244 5.9295 5.9295 6.6877 6.6877 6.9361 6.9361 7.8594 7.8594 7.9971 7.9971 8.0337 8.0337 8.0419 8.0419 8.1550 8.1550 8.2815 8.2815 8.4142 8.4142 8.4667 8.4667 8.9143 8.9143 9.5081 9.5081 9.6596 9.6596 9.7345 9.7345 9.9345 9.9345 10.1251 10.1251 11.0893 11.0893 11.3417 11.3417 11.7206 11.7206 11.8520 11.8520 11.8882 11.8882 12.0863 12.0863 k = 0.0000 0.0000 0.2686 ( 5320 PWs) bands (ev): -1.0101 -1.0101 -0.9688 -0.9688 5.0519 5.0519 5.4257 5.4257 5.6219 5.6219 5.9269 5.9269 6.6884 6.6884 6.9359 6.9359 7.8662 7.8662 7.9966 7.9966 8.0328 8.0328 8.0412 8.0412 8.1539 8.1539 8.2820 8.2820 8.4143 8.4143 8.4647 8.4647 8.9146 8.9146 9.5308 9.5308 9.6373 9.6373 9.7329 9.7329 9.9366 9.9366 10.1247 10.1247 11.0950 11.0950 11.3399 11.3399 11.7256 11.7256 11.8533 11.8533 11.8867 11.8867 12.0769 12.0769 k = 0.0000 0.0000 0.2686 ( 5320 PWs) bands (ev): -1.0101 -1.0101 -0.9688 -0.9688 5.0519 5.0519 5.4257 5.4257 5.6219 5.6219 5.9269 5.9269 6.6884 6.6884 6.9359 6.9359 7.8662 7.8662 7.9966 7.9966 8.0328 8.0328 8.0412 8.0412 8.1539 8.1539 8.2820 8.2820 8.4143 8.4143 8.4647 8.4647 8.9146 8.9146 9.5308 9.5308 9.6373 9.6373 9.7329 9.7329 9.9366 9.9366 10.1247 10.1247 11.0950 11.0950 11.3399 11.3399 11.7257 11.7257 11.8533 11.8533 11.8867 11.8867 12.0769 12.0769 k = 0.0000 0.0114 0.2686 ( 5329 PWs) bands (ev): -1.0095 -1.0095 -0.9685 -0.9685 5.0504 5.0504 5.4262 5.4262 5.6173 5.6173 5.9314 5.9314 6.6885 6.6885 6.9357 6.9357 7.8661 7.8661 7.9959 7.9959 8.0311 8.0311 8.0427 8.0427 8.1509 8.1509 8.2843 8.2843 8.4161 8.4161 8.4648 8.4648 8.9147 8.9147 9.5297 9.5297 9.6369 9.6369 9.7320 9.7320 9.9381 9.9381 10.1251 10.1251 11.0970 11.0970 11.3419 11.3419 11.7193 11.7193 11.8369 11.8369 11.8910 11.8910 12.0937 12.0937 k = 0.0000 0.0229 0.2686 ( 5322 PWs) bands (ev): -1.0077 -1.0077 -0.9677 -0.9677 5.0457 5.0457 5.4278 5.4278 5.6048 5.6048 5.9441 5.9441 6.6889 6.6889 6.9350 6.9350 7.8660 7.8660 7.9940 7.9940 8.0273 8.0273 8.0457 8.0457 8.1427 8.1427 8.2901 8.2901 8.4214 8.4214 8.4649 8.4649 8.9148 8.9148 9.5264 9.5264 9.6359 9.6359 9.7292 9.7292 9.9426 9.9426 10.1263 10.1263 11.1031 11.1031 11.3477 11.3477 11.7011 11.7011 11.7993 11.7993 11.9009 11.9009 12.1349 12.1349 k = 0.0000 0.0343 0.2686 ( 5322 PWs) bands (ev): -1.0049 -1.0049 -0.9663 -0.9663 5.0379 5.0379 5.4297 5.4297 5.5867 5.5867 5.9630 5.9630 6.6896 6.6896 6.9338 6.9338 7.8656 7.8656 7.9911 7.9911 8.0225 8.0225 8.0490 8.0490 8.1313 8.1313 8.2972 8.2972 8.4303 8.4303 8.4652 8.4652 8.9151 8.9151 9.5210 9.5210 9.6342 9.6342 9.7247 9.7247 9.9499 9.9499 10.1282 10.1282 11.1131 11.1131 11.3572 11.3572 11.6727 11.6727 11.7536 11.7536 11.9145 11.9145 12.1879 12.1879 k = 0.0000 0.0458 0.2686 ( 5320 PWs) bands (ev): -1.0009 -1.0009 -0.9644 -0.9644 5.0272 5.0272 5.4307 5.4307 5.5667 5.5667 5.9860 5.9860 6.6904 6.6904 6.9322 6.9322 7.8649 7.8649 7.9871 7.9871 8.0170 8.0170 8.0520 8.0520 8.1188 8.1188 8.3036 8.3036 8.4420 8.4420 8.4667 8.4667 8.9159 8.9159 9.5135 9.5135 9.6319 9.6319 9.7188 9.7188 9.9597 9.9597 10.1310 10.1310 11.1264 11.1264 11.3702 11.3702 11.6361 11.6361 11.7062 11.7062 11.9311 11.9311 12.2463 12.2463 k = 0.0000 0.0572 0.2686 ( 5324 PWs) bands (ev): -0.9958 -0.9958 -0.9620 -0.9620 5.0137 5.0137 5.4284 5.4284 5.5487 5.5487 6.0112 6.0112 6.6915 6.6915 6.9302 6.9302 7.8637 7.8637 7.9823 7.9823 8.0113 8.0113 8.0540 8.0540 8.1070 8.1070 8.3079 8.3079 8.4523 8.4523 8.4732 8.4732 8.9176 8.9176 9.5041 9.5041 9.6290 9.6290 9.7116 9.7116 9.9719 9.9719 10.1346 10.1346 11.1425 11.1425 11.3861 11.3861 11.5929 11.5929 11.6604 11.6604 11.9500 11.9500 12.3071 12.3071 k = 0.0000 0.0687 0.2686 ( 5321 PWs) bands (ev): -0.9897 -0.9897 -0.9591 -0.9591 4.9974 4.9974 5.4194 5.4194 5.5375 5.5375 6.0376 6.0376 6.6928 6.6928 6.9279 6.9279 7.8615 7.8615 7.9762 7.9762 8.0057 8.0057 8.0542 8.0542 8.0979 8.0979 8.3097 8.3097 8.4559 8.4559 8.4890 8.4890 8.9206 8.9206 9.4928 9.4928 9.6255 9.6255 9.7033 9.7033 9.9860 9.9860 10.1393 10.1393 11.1602 11.1602 11.4044 11.4044 11.5442 11.5442 11.6191 11.6191 11.9704 11.9704 12.3685 12.3685 k = 0.0000 0.0801 0.2686 ( 5323 PWs) bands (ev): -0.9826 -0.9826 -0.9557 -0.9557 4.9786 4.9786 5.4020 5.4020 5.5356 5.5356 6.0643 6.0643 6.6941 6.6941 6.9254 6.9254 7.8582 7.8582 7.9685 7.9685 8.0008 8.0008 8.0521 8.0521 8.0928 8.0928 8.3090 8.3090 8.4559 8.4559 8.5098 8.5098 8.9255 8.9255 9.4798 9.4798 9.6217 9.6217 9.6941 9.6941 10.0014 10.0014 10.1454 10.1454 11.1778 11.1778 11.4236 11.4236 11.4915 11.4915 11.5857 11.5857 11.9913 11.9913 12.4223 12.4225 k = 0.0000 0.0916 0.2686 ( 5326 PWs) bands (ev): -0.9747 -0.9747 -0.9519 -0.9519 4.9575 4.9575 5.3780 5.3780 5.5418 5.5418 6.0907 6.0907 6.6955 6.6955 6.9226 6.9226 7.8533 7.8533 7.9588 7.9588 7.9968 7.9968 8.0488 8.0488 8.0915 8.0915 8.3059 8.3059 8.4547 8.4547 8.5318 8.5318 8.9329 8.9329 9.4652 9.4652 9.6175 9.6175 9.6842 9.6842 10.0171 10.0171 10.1534 10.1534 11.1924 11.1924 11.4297 11.4297 11.4482 11.4482 11.5645 11.5645 12.0116 12.0116 12.4219 12.4219 k = 0.0000 0.1030 0.2686 ( 5324 PWs) bands (ev): -0.9661 -0.9661 -0.9476 -0.9476 4.9342 4.9342 5.3502 5.3502 5.5537 5.5537 6.1165 6.1165 6.6969 6.6969 6.9197 6.9197 7.8466 7.8466 7.9474 7.9474 7.9938 7.9938 8.0465 8.0465 8.0925 8.0925 8.3007 8.3007 8.4527 8.4527 8.5533 8.5533 8.9436 8.9436 9.4491 9.4491 9.6130 9.6130 9.6738 9.6738 10.0320 10.0320 10.1644 10.1644 11.2005 11.2005 11.3744 11.3744 11.4631 11.4631 11.5598 11.5598 12.0295 12.0295 12.4062 12.4062 k = 0.0000 0.1145 0.2686 ( 5319 PWs) bands (ev): -0.9571 -0.9571 -0.9425 -0.9425 4.9091 4.9091 5.3210 5.3210 5.5693 5.5693 6.1413 6.1413 6.6982 6.6982 6.9167 6.9167 7.8379 7.8379 7.9346 7.9346 7.9919 7.9919 8.0463 8.0463 8.0946 8.0946 8.2937 8.2937 8.4502 8.4502 8.5728 8.5728 8.9579 8.9579 9.4315 9.4315 9.6084 9.6084 9.6629 9.6629 10.0445 10.0445 10.1795 10.1795 11.1989 11.1989 11.3146 11.3146 11.4829 11.4829 11.5716 11.5716 12.0425 12.0425 12.3874 12.3874 k = 0.0000 0.1259 0.2686 ( 5326 PWs) bands (ev): -0.9485 -0.9485 -0.9361 -0.9361 4.8822 4.8822 5.2915 5.2915 5.5875 5.5875 6.1650 6.1650 6.6993 6.6993 6.9138 6.9138 7.8272 7.8272 7.9212 7.9212 7.9909 7.9909 8.0487 8.0487 8.0970 8.0970 8.2849 8.2849 8.4473 8.4473 8.5897 8.5897 8.9761 8.9761 9.4126 9.4126 9.6038 9.6038 9.6519 9.6519 10.0534 10.0534 10.1995 10.1995 11.1871 11.1871 11.2544 11.2544 11.5098 11.5098 11.5947 11.5947 12.0475 12.0475 12.3707 12.3707 k = 0.0000 0.1374 0.2686 ( 5323 PWs) bands (ev): -0.9413 -0.9413 -0.9275 -0.9275 4.8539 4.8539 5.2627 5.2627 5.6077 5.6077 6.1875 6.1875 6.7002 6.7002 6.9109 6.9109 7.8143 7.8143 7.9079 7.9079 7.9909 7.9909 8.0534 8.0534 8.0996 8.0996 8.2747 8.2747 8.4440 8.4440 8.6033 8.6033 8.9979 8.9979 9.3925 9.3925 9.5991 9.5991 9.6411 9.6411 10.0582 10.0582 10.2247 10.2247 11.1661 11.1661 11.1963 11.1963 11.5457 11.5457 11.6240 11.6240 12.0416 12.0416 12.3610 12.3610 k = 0.0000 0.1488 0.2686 ( 5332 PWs) bands (ev): -0.9357 -0.9357 -0.9167 -0.9167 4.8244 4.8244 5.2352 5.2352 5.6294 5.6294 6.2087 6.2087 6.7009 6.7009 6.9083 6.9083 7.7997 7.7997 7.8953 7.8953 7.9920 7.9920 8.0599 8.0599 8.1020 8.1020 8.2634 8.2634 8.4404 8.4404 8.6136 8.6136 9.0225 9.0225 9.3712 9.3712 9.5945 9.5945 9.6310 9.6310 10.0589 10.0589 10.2545 10.2545 11.1272 11.1272 11.1530 11.1530 11.5896 11.5896 11.6568 11.6568 12.0234 12.0234 12.3609 12.3609 k = 0.0000 0.1602 0.2686 ( 5323 PWs) bands (ev): -0.9309 -0.9309 -0.9047 -0.9047 4.7939 4.7939 5.2093 5.2093 5.6522 5.6522 6.2286 6.2286 6.7012 6.7012 6.9059 6.9059 7.7834 7.7834 7.8839 7.8839 7.9939 7.9939 8.0673 8.0673 8.1046 8.1046 8.2514 8.2514 8.4366 8.4366 8.6210 8.6210 9.0487 9.0487 9.3490 9.3490 9.5899 9.5899 9.6222 9.6222 10.0559 10.0559 10.2882 10.2882 11.0726 11.0726 11.1254 11.1254 11.6399 11.6399 11.6914 11.6914 11.9943 11.9943 12.3701 12.3701 k = 0.0000 0.1717 0.2686 ( 5321 PWs) bands (ev): -0.9266 -0.9266 -0.8918 -0.8918 4.7628 4.7628 5.1855 5.1855 5.6757 5.6757 6.2471 6.2471 6.7011 6.7011 6.9038 6.9038 7.7658 7.7658 7.8737 7.8737 7.9968 7.9968 8.0749 8.0749 8.1072 8.1072 8.2390 8.2390 8.4329 8.4329 8.6258 8.6258 9.0750 9.0750 9.3258 9.3258 9.5854 9.5854 9.6154 9.6154 10.0494 10.0494 10.3249 10.3249 11.0179 11.0179 11.1004 11.1004 11.6949 11.6949 11.7270 11.7270 11.9576 11.9576 12.3864 12.3864 k = 0.0000 0.1831 0.2686 ( 5324 PWs) bands (ev): -0.9228 -0.9228 -0.8783 -0.8783 4.7312 4.7312 5.1639 5.1639 5.6997 5.6997 6.2642 6.2642 6.7007 6.7007 6.9020 6.9020 7.7474 7.7474 7.8649 7.8649 8.0005 8.0005 8.0815 8.0815 8.1103 8.1103 8.2269 8.2269 8.4294 8.4294 8.6285 8.6285 9.0998 9.0998 9.3019 9.3019 9.5816 9.5816 9.6110 9.6110 10.0398 10.0398 10.3640 10.3640 10.9658 10.9658 11.0769 11.0769 11.7509 11.7509 11.7645 11.7645 11.9173 11.9173 12.4075 12.4075 k = 0.0000 0.1946 0.2686 ( 5330 PWs) bands (ev): -0.9195 -0.9195 -0.8645 -0.8645 4.6996 4.6996 5.1449 5.1449 5.7238 5.7238 6.2800 6.2800 6.6999 6.6999 6.9006 6.9006 7.7285 7.7285 7.8574 7.8574 8.0050 8.0050 8.0861 8.0861 8.1137 8.1137 8.2160 8.2160 8.4263 8.4263 8.6296 8.6296 9.1212 9.1212 9.2774 9.2774 9.5794 9.5794 9.6091 9.6091 10.0271 10.0271 10.4047 10.4047 10.9170 10.9170 11.0555 11.0555 11.7920 11.7920 11.8129 11.8129 11.8813 11.8813 12.4314 12.4314 k = 0.0000 0.2060 0.2686 ( 5335 PWs) bands (ev): -0.9167 -0.9167 -0.8505 -0.8505 4.6682 4.6682 5.1286 5.1286 5.7477 5.7477 6.2945 6.2945 6.6986 6.6986 6.8995 6.8995 7.7095 7.7095 7.8511 7.8511 8.0101 8.0101 8.0881 8.0881 8.1165 8.1165 8.2074 8.2074 8.4242 8.4242 8.6295 8.6295 9.1378 9.1378 9.2527 9.2527 9.5799 9.5799 9.6095 9.6095 10.0114 10.0114 10.4467 10.4467 10.8722 10.8722 11.0363 11.0363 11.8055 11.8055 11.8354 11.8354 11.8997 11.8997 12.4569 12.4569 k = 0.0000 0.2175 0.2686 ( 5326 PWs) bands (ev): -0.9146 -0.9146 -0.8362 -0.8362 4.6373 4.6373 5.1152 5.1152 5.7709 5.7709 6.3078 6.3078 6.6970 6.6970 6.8988 6.8988 7.6906 7.6906 7.8460 7.8460 8.0158 8.0158 8.0875 8.0875 8.1175 8.1175 8.2021 8.2021 8.4234 8.4234 8.6285 8.6285 9.1482 9.1482 9.2283 9.2283 9.5836 9.5836 9.6124 9.6124 9.9927 9.9927 10.4891 10.4891 10.8318 10.8318 11.0195 11.0195 11.7702 11.7702 11.8632 11.8632 11.9622 11.9622 12.4828 12.4828 k = 0.0000 0.2289 0.2686 ( 5328 PWs) bands (ev): -0.9132 -0.9132 -0.8220 -0.8220 4.6073 4.6073 5.1048 5.1048 5.7932 5.7932 6.3199 6.3199 6.6951 6.6951 6.8983 6.8983 7.6721 7.6721 7.8418 7.8418 8.0219 8.0219 8.0841 8.0841 8.1161 8.1161 8.2004 8.2004 8.4245 8.4245 8.6268 8.6268 9.1510 9.1510 9.2051 9.2051 9.5906 9.5906 9.6180 9.6180 9.9711 9.9711 10.5314 10.5314 10.7965 10.7965 11.0054 11.0054 11.7287 11.7287 11.8920 11.8920 12.0301 12.0301 12.5085 12.5085 k = 0.0000 0.2404 0.2686 ( 5315 PWs) bands (ev): -0.9126 -0.9126 -0.8077 -0.8077 4.5783 4.5783 5.0975 5.0975 5.8142 5.8142 6.3309 6.3309 6.6929 6.6929 6.8982 6.8982 7.6543 7.6543 7.8384 7.8384 8.0280 8.0280 8.0779 8.0779 8.1134 8.1134 8.2012 8.2012 8.4280 8.4280 8.6249 8.6249 9.1447 9.1447 9.1854 9.1854 9.5999 9.5999 9.6268 9.6268 9.9467 9.9467 10.5721 10.5721 10.7671 10.7671 10.9939 10.9939 11.6879 11.6879 11.9183 11.9183 12.0992 12.0992 12.5334 12.5334 k = 0.0000 0.2518 0.2686 ( 5317 PWs) bands (ev): -0.9129 -0.9129 -0.7936 -0.7936 4.5507 4.5507 5.0935 5.0935 5.8335 5.8335 6.3409 6.3409 6.6905 6.6905 6.8983 6.8983 7.6373 7.6373 7.8356 7.8356 8.0334 8.0334 8.0697 8.0697 8.1105 8.1105 8.2025 8.2025 8.4343 8.4343 8.6228 8.6228 9.1289 9.1289 9.1705 9.1705 9.6103 9.6103 9.6393 9.6393 9.9198 9.9198 10.6083 10.6083 10.7461 10.7461 10.9850 10.9850 11.6489 11.6489 11.9413 11.9413 12.1678 12.1678 12.5569 12.5569 k = 0.0000 0.2633 0.2686 ( 5312 PWs) bands (ev): -0.9141 -0.9141 -0.7797 -0.7797 4.5249 4.5249 5.0928 5.0928 5.8507 5.8507 6.3499 6.3499 6.6879 6.6879 6.8985 6.8985 7.6213 7.6213 7.8333 7.8333 8.0356 8.0356 8.0623 8.0623 8.1081 8.1081 8.2031 8.2031 8.4435 8.4435 8.6210 8.6210 9.1073 9.1073 9.1582 9.1582 9.6212 9.6212 9.6550 9.6550 9.8907 9.8907 10.6330 10.6330 10.7401 10.7401 10.9787 10.9787 11.6124 11.6124 11.9606 11.9606 12.2341 12.2341 12.5786 12.5786 k = 0.0000 0.2747 0.2686 ( 5323 PWs) bands (ev): -0.9164 -0.9164 -0.7662 -0.7662 4.5010 4.5010 5.0954 5.0954 5.8655 5.8655 6.3581 6.3581 6.6852 6.6852 6.8989 6.8989 7.6064 7.6064 7.8311 7.8311 8.0303 8.0303 8.0611 8.0611 8.1062 8.1062 8.2020 8.2020 8.4556 8.4556 8.6197 8.6197 9.0836 9.0836 9.1462 9.1462 9.6329 9.6329 9.6727 9.6727 9.8598 9.8598 10.6380 10.6380 10.7566 10.7566 10.9747 10.9747 11.5783 11.5783 11.9757 11.9757 12.2963 12.2963 12.5979 12.5979 k = 0.0000 0.2861 0.2686 ( 5331 PWs) bands (ev): -0.9198 -0.9198 -0.7530 -0.7530 4.4793 4.4793 5.1014 5.1014 5.8776 5.8776 6.3654 6.3654 6.6824 6.6824 6.8993 6.8993 7.5928 7.5928 7.8288 7.8288 8.0188 8.0188 8.0651 8.0651 8.1048 8.1048 8.1990 8.1990 8.4700 8.4700 8.6193 8.6193 9.0595 9.0595 9.1344 9.1344 9.6457 9.6457 9.6911 9.6911 9.8275 9.8275 10.6289 10.6289 10.7890 10.7890 10.9729 10.9729 11.5469 11.5469 11.9863 11.9863 12.3518 12.3518 12.6143 12.6143 k = 0.0000 0.2976 0.2686 ( 5334 PWs) bands (ev): -0.9244 -0.9244 -0.7402 -0.7402 4.4600 4.4600 5.1107 5.1107 5.8867 5.8867 6.3719 6.3719 6.6796 6.6796 6.8997 6.8997 7.5805 7.5805 7.8260 7.8260 8.0054 8.0054 8.0706 8.0706 8.1038 8.1038 8.1941 8.1941 8.4858 8.4858 8.6201 8.6201 9.0357 9.0357 9.1234 9.1234 9.6599 9.6599 9.7092 9.7092 9.7943 9.7943 10.6146 10.6146 10.8279 10.8279 10.9732 10.9732 11.5183 11.5183 11.9924 11.9924 12.3977 12.3977 12.6274 12.6274 k = 0.0000 0.2976 0.2686 ( 5334 PWs) bands (ev): -0.9244 -0.9244 -0.7402 -0.7402 4.4600 4.4600 5.1107 5.1107 5.8867 5.8867 6.3719 6.3719 6.6796 6.6796 6.8997 6.8997 7.5805 7.5805 7.8260 7.8260 8.0054 8.0054 8.0706 8.0706 8.1038 8.1038 8.1941 8.1941 8.4858 8.4858 8.6201 8.6201 9.0357 9.0357 9.1234 9.1234 9.6599 9.6599 9.7092 9.7092 9.7943 9.7943 10.6146 10.6146 10.8279 10.8279 10.9732 10.9732 11.5183 11.5183 11.9924 11.9924 12.3977 12.3977 12.6274 12.6274 k = 0.0000 0.3019 0.2579 ( 5339 PWs) bands (ev): -0.9248 -0.9248 -0.7383 -0.7383 4.4648 4.4648 5.1091 5.1091 5.8862 5.8862 6.3713 6.3713 6.6840 6.6840 6.8921 6.8921 7.6069 7.6069 7.8311 7.8311 8.0039 8.0039 8.0718 8.0718 8.1043 8.1043 8.1729 8.1729 8.5149 8.5149 8.6269 8.6269 9.0503 9.0503 9.1206 9.1206 9.6255 9.6255 9.6618 9.6618 9.8068 9.8068 10.6206 10.6206 10.8280 10.8280 11.0038 11.0038 11.5047 11.5047 11.9601 11.9601 12.4153 12.4153 12.6135 12.6135 k = 0.0000 0.3062 0.2472 ( 5331 PWs) bands (ev): -0.9263 -0.9263 -0.7356 -0.7356 4.4707 4.4707 5.1055 5.1055 5.8891 5.8891 6.3699 6.3699 6.6884 6.6884 6.8844 6.8844 7.6329 7.6329 7.8351 7.8351 8.0019 8.0019 8.0720 8.0720 8.1049 8.1049 8.1527 8.1527 8.5451 8.5451 8.6354 8.6354 9.0638 9.0638 9.1186 9.1186 9.5895 9.5895 9.6153 9.6153 9.8163 9.8163 10.6233 10.6233 10.8353 10.8353 11.0368 11.0368 11.4909 11.4909 11.9269 11.9269 12.4289 12.4289 12.5998 12.5998 k = 0.0000 0.3105 0.2364 ( 5326 PWs) bands (ev): -0.9285 -0.9285 -0.7325 -0.7325 4.4775 4.4775 5.1000 5.1000 5.8950 5.8950 6.3679 6.3679 6.6927 6.6927 6.8769 6.8769 7.6581 7.6581 7.8380 7.8380 7.9996 7.9996 8.0704 8.0704 8.1054 8.1054 8.1349 8.1349 8.5762 8.5762 8.6456 8.6456 9.0742 9.0742 9.1196 9.1196 9.5486 9.5486 9.5735 9.5735 9.8227 9.8227 10.6245 10.6245 10.8481 10.8481 11.0719 11.0719 11.4770 11.4770 11.8928 11.8928 12.4391 12.4391 12.5868 12.5868 k = 0.0000 0.3148 0.2257 ( 5332 PWs) bands (ev): -0.9311 -0.9311 -0.7291 -0.7291 4.4851 4.4851 5.0928 5.0928 5.9034 5.9034 6.3652 6.3652 6.6968 6.6968 6.8697 6.8697 7.6822 7.6822 7.8400 7.8400 7.9968 7.9968 8.0657 8.0657 8.1056 8.1056 8.1213 8.1213 8.6076 8.6076 8.6577 8.6577 9.0786 9.0786 9.1262 9.1262 9.5024 9.5024 9.5379 9.5379 9.8260 9.8260 10.6258 10.6258 10.8642 10.8642 11.1086 11.1086 11.4631 11.4631 11.8578 11.8578 12.4465 12.4465 12.5748 12.5748 k = 0.0000 0.3191 0.2150 ( 5329 PWs) bands (ev): -0.9340 -0.9340 -0.7256 -0.7256 4.4932 4.4932 5.0845 5.0845 5.9136 5.9136 6.3621 6.3621 6.7008 6.7008 6.8629 6.8629 7.7051 7.7051 7.8412 7.8412 7.9935 7.9935 8.0568 8.0568 8.1050 8.1050 8.1139 8.1139 8.6374 8.6374 8.6731 8.6731 9.0766 9.0766 9.1386 9.1386 9.4546 9.4546 9.5056 9.5056 9.8265 9.8265 10.6278 10.6278 10.8820 10.8820 11.1467 11.1467 11.4494 11.4494 11.8220 11.8220 12.4516 12.4516 12.5641 12.5641 k = 0.0000 0.3234 0.2042 ( 5330 PWs) bands (ev): -0.9368 -0.9368 -0.7224 -0.7224 4.5014 4.5014 5.0756 5.0756 5.9249 5.9249 6.3587 6.3587 6.7045 6.7045 6.8565 6.8565 7.7265 7.7265 7.8418 7.8418 7.9898 7.9898 8.0449 8.0449 8.1038 8.1038 8.1115 8.1115 8.6605 8.6605 8.6963 8.6963 9.0702 9.0702 9.1543 9.1543 9.4079 9.4079 9.4750 9.4750 9.8249 9.8249 10.6308 10.6308 10.9003 10.9003 11.1855 11.1855 11.4362 11.4362 11.7855 11.7855 12.4550 12.4550 12.5549 12.5549 k = 0.0000 0.3277 0.1935 ( 5332 PWs) bands (ev): -0.9395 -0.9395 -0.7194 -0.7194 4.5094 4.5094 5.0665 5.0665 5.9363 5.9363 6.3552 6.3552 6.7079 6.7079 6.8508 6.8508 7.7460 7.7460 7.8419 7.8419 7.9853 7.9853 8.0326 8.0326 8.1031 8.1031 8.1112 8.1112 8.6756 8.6756 8.7279 8.7279 9.0605 9.0605 9.1717 9.1717 9.3640 9.3640 9.4459 9.4459 9.8219 9.8219 10.6345 10.6345 10.9180 10.9180 11.2245 11.2245 11.4238 11.4238 11.7490 11.7490 12.4571 12.4571 12.5471 12.5471 k = 0.0000 0.3320 0.1828 ( 5329 PWs) bands (ev): -0.9418 -0.9418 -0.7168 -0.7168 4.5167 4.5167 5.0581 5.0581 5.9471 5.9471 6.3517 6.3517 6.7109 6.7109 6.8458 6.8458 7.7633 7.7633 7.8417 7.8417 7.9799 7.9799 8.0219 8.0219 8.1032 8.1032 8.1114 8.1114 8.6865 8.6865 8.7632 8.7632 9.0477 9.0477 9.1899 9.1899 9.3247 9.3247 9.4185 9.4185 9.8182 9.8182 10.6385 10.6385 10.9342 10.9342 11.2627 11.2627 11.4125 11.4125 11.7131 11.7131 12.4584 12.4584 12.5407 12.5408 k = 0.0000 0.3363 0.1721 ( 5336 PWs) bands (ev): -0.9437 -0.9437 -0.7148 -0.7148 4.5229 4.5229 5.0507 5.0507 5.9565 5.9565 6.3487 6.3487 6.7135 6.7135 6.8417 6.8417 7.7781 7.7781 7.8412 7.8412 7.9738 7.9738 8.0138 8.0138 8.1036 8.1036 8.1116 8.1116 8.6949 8.6949 8.7991 8.7991 9.0314 9.0314 9.2079 9.2079 9.2918 9.2918 9.3933 9.3933 9.8145 9.8145 10.6423 10.6423 10.9480 10.9480 11.2985 11.2985 11.4029 11.4029 11.6793 11.6793 12.4590 12.4590 12.5359 12.5359 k = 0.0000 0.3406 0.1613 ( 5342 PWs) bands (ev): -0.9452 -0.9452 -0.7132 -0.7132 4.5277 4.5277 5.0451 5.0451 5.9638 5.9638 6.3462 6.3462 6.7153 6.7153 6.8387 6.8387 7.7896 7.7896 7.8406 7.8406 7.9679 7.9679 8.0086 8.0086 8.1040 8.1040 8.1118 8.1118 8.7010 8.7010 8.8332 8.8332 9.0124 9.0124 9.2246 9.2246 9.2672 9.2672 9.3714 9.3714 9.8115 9.8115 10.6454 10.6454 10.9585 10.9585 11.3294 11.3294 11.3955 11.3955 11.6498 11.6498 12.4593 12.4593 12.5324 12.5324 k = 0.0000 0.3449 0.1506 ( 5339 PWs) bands (ev): -0.9460 -0.9460 -0.7123 -0.7123 4.5307 4.5307 5.0415 5.0415 5.9684 5.9684 6.3447 6.3447 6.7165 6.7165 6.8368 6.8368 7.7970 7.7970 7.8401 7.8401 7.9635 7.9635 8.0057 8.0057 8.1043 8.1043 8.1119 8.1119 8.7047 8.7047 8.8609 8.8609 8.9939 8.9939 9.2372 9.2372 9.2526 9.2526 9.3553 9.3553 9.8094 9.8094 10.6474 10.6474 10.9651 10.9651 11.3517 11.3517 11.3906 11.3906 11.6287 11.6287 12.4594 12.4594 12.5304 12.5304 k = 0.0000 0.3492 0.1399 ( 5340 PWs) bands (ev): -0.9463 -0.9463 -0.7120 -0.7120 4.5317 4.5317 5.0403 5.0403 5.9700 5.9700 6.3441 6.3441 6.7169 6.7169 6.8361 6.8361 7.7996 7.7996 7.8399 7.8399 7.9620 7.9620 8.0048 8.0048 8.1044 8.1044 8.1119 8.1119 8.7060 8.7060 8.8728 8.8728 8.9851 8.9851 9.2411 9.2411 9.2488 9.2488 9.3490 9.3490 9.8087 9.8087 10.6481 10.6481 10.9674 10.9674 11.3600 11.3600 11.3888 11.3888 11.6209 11.6209 12.4594 12.4594 12.5297 12.5297 k = 0.0000 0.3492 0.1399 ( 5340 PWs) bands (ev): -0.9463 -0.9463 -0.7120 -0.7120 4.5317 4.5317 5.0403 5.0403 5.9700 5.9700 6.3441 6.3441 6.7169 6.7169 6.8361 6.8361 7.7996 7.7996 7.8399 7.8399 7.9620 7.9620 8.0048 8.0048 8.1044 8.1044 8.1119 8.1119 8.7060 8.7060 8.8728 8.8728 8.9851 8.9851 9.2411 9.2411 9.2488 9.2488 9.3490 9.3490 9.8087 9.8087 10.6481 10.6481 10.9674 10.9674 11.3600 11.3600 11.3888 11.3888 11.6209 11.6209 12.4594 12.4594 12.5297 12.5297 k = 0.0116 0.3492 0.1399 ( 5338 PWs) bands (ev): -0.9455 -0.9455 -0.7113 -0.7113 4.5332 4.5332 5.0415 5.0415 5.9706 5.9706 6.3445 6.3445 6.7140 6.7140 6.8336 6.8336 7.8001 7.8001 7.8407 7.8407 7.9614 7.9614 8.0035 8.0035 8.1059 8.1059 8.1136 8.1136 8.7054 8.7054 8.8745 8.8745 8.9841 8.9841 9.2328 9.2328 9.2533 9.2533 9.3485 9.3485 9.8077 9.8077 10.6467 10.6467 10.9628 10.9628 11.3382 11.3382 11.4074 11.4074 11.6262 11.6262 12.4602 12.4602 12.5286 12.5286 k = 0.0233 0.3492 0.1399 ( 5340 PWs) bands (ev): -0.9431 -0.9431 -0.7093 -0.7093 4.5375 4.5375 5.0452 5.0452 5.9726 5.9726 6.3454 6.3454 6.7052 6.7052 6.8259 6.8259 7.8017 7.8017 7.8433 7.8433 7.9598 7.9598 8.0001 8.0001 8.1097 8.1097 8.1188 8.1188 8.7035 8.7035 8.8796 8.8796 8.9809 8.9809 9.2176 9.2176 9.2570 9.2570 9.3473 9.3473 9.8046 9.8046 10.6426 10.6426 10.9494 10.9494 11.3027 11.3027 11.4332 11.4332 11.6415 11.6415 12.4626 12.4626 12.5253 12.5253 k = 0.0349 0.3492 0.1399 ( 5340 PWs) bands (ev): -0.9391 -0.9391 -0.7059 -0.7059 4.5448 4.5448 5.0513 5.0513 5.9758 5.9758 6.3469 6.3469 6.6908 6.6908 6.8132 6.8132 7.8041 7.8041 7.8473 7.8473 7.9574 7.9574 7.9952 7.9952 8.1150 8.1150 8.1277 8.1277 8.7000 8.7000 8.8879 8.8879 8.9761 8.9761 9.1978 9.1978 9.2583 9.2583 9.3456 9.3456 9.7994 9.7994 10.6356 10.6356 10.9287 10.9287 11.2622 11.2622 11.4579 11.4579 11.6651 11.6651 12.4659 12.4659 12.5200 12.5200 k = 0.0465 0.3492 0.1399 ( 5348 PWs) bands (ev): -0.9335 -0.9335 -0.7012 -0.7012 4.5549 4.5549 5.0598 5.0598 5.9803 5.9803 6.3489 6.3489 6.6707 6.6707 6.7958 6.7958 7.8074 7.8074 7.8527 7.8527 7.9544 7.9544 7.9896 7.9896 8.1215 8.1215 8.1396 8.1396 8.6943 8.6943 8.8990 8.8990 8.9703 8.9703 9.1738 9.1738 9.2572 9.2572 9.3436 9.3436 9.7920 9.7920 10.6260 10.6260 10.9024 10.9024 11.2172 11.2172 11.4810 11.4810 11.6944 11.6944 12.4695 12.4695 12.5129 12.5129 k = 0.0581 0.3492 0.1399 ( 5340 PWs) bands (ev): -0.9264 -0.9264 -0.6951 -0.6951 4.5678 4.5678 5.0707 5.0707 5.9860 5.9860 6.3513 6.3513 6.6454 6.6454 6.7738 6.7738 7.8113 7.8113 7.8590 7.8590 7.9512 7.9512 7.9840 7.9840 8.1291 8.1291 8.1538 8.1538 8.6859 8.6859 8.9126 8.9126 8.9646 8.9646 9.1461 9.1461 9.2543 9.2543 9.3419 9.3419 9.7827 9.7827 10.6138 10.6138 10.8722 10.8722 11.1680 11.1680 11.5025 11.5025 11.7267 11.7267 12.4726 12.4726 12.5048 12.5048 k = 0.0698 0.3492 0.1399 ( 5338 PWs) bands (ev): -0.9177 -0.9177 -0.6878 -0.6878 4.5834 4.5834 5.0839 5.0839 5.9928 5.9928 6.3538 6.3538 6.6150 6.6150 6.7477 6.7477 7.8155 7.8155 7.8659 7.8659 7.9482 7.9482 7.9790 7.9790 8.1379 8.1379 8.1697 8.1697 8.6740 8.6740 8.9272 8.9272 8.9608 8.9608 9.1153 9.1153 9.2498 9.2498 9.3407 9.3407 9.7715 9.7715 10.5991 10.5991 10.8396 10.8396 11.1151 11.1151 11.5218 11.5218 11.7592 11.7592 12.4743 12.4743 12.4972 12.4972 k = 0.0814 0.3492 0.1399 ( 5338 PWs) bands (ev): -0.9075 -0.9075 -0.6791 -0.6791 4.6018 4.6018 5.0994 5.0994 6.0005 6.0005 6.3563 6.3563 6.5800 6.5800 6.7179 6.7179 7.8198 7.8198 7.8730 7.8730 7.9456 7.9456 7.9749 7.9749 8.1477 8.1477 8.1870 8.1870 8.6582 8.6582 8.9389 8.9389 8.9628 8.9628 9.0823 9.0823 9.2437 9.2437 9.3404 9.3404 9.7590 9.7590 10.5820 10.5820 10.8056 10.8056 11.0591 11.0591 11.5386 11.5386 11.7889 11.7889 12.4742 12.4742 12.4916 12.4916 k = 0.0930 0.3492 0.1399 ( 5338 PWs) bands (ev): -0.8958 -0.8958 -0.6693 -0.6693 4.6226 4.6226 5.1172 5.1172 6.0091 6.0091 6.3582 6.3582 6.5406 6.5406 6.6851 6.6851 7.8238 7.8238 7.8798 7.8798 7.9438 7.9438 7.9723 7.9723 8.1586 8.1586 8.2055 8.2055 8.6386 8.6386 8.9430 8.9430 8.9744 8.9744 9.0488 9.0488 9.2363 9.2363 9.3412 9.3412 9.7458 9.7458 10.5627 10.5627 10.7713 10.7713 11.0006 11.0006 11.5522 11.5522 11.8128 11.8128 12.4723 12.4723 12.4897 12.4897 k = 0.1047 0.3492 0.1399 ( 5326 PWs) bands (ev): -0.8826 -0.8826 -0.6582 -0.6582 4.6460 4.6460 5.1371 5.1371 6.0184 6.0184 6.3589 6.3589 6.4972 6.4972 6.6503 6.6503 7.8270 7.8270 7.8860 7.8860 7.9429 7.9429 7.9716 7.9716 8.1704 8.1704 8.2249 8.2249 8.6154 8.6154 8.9441 8.9441 8.9830 8.9830 9.0227 9.0227 9.2281 9.2281 9.3428 9.3428 9.7328 9.7328 10.5416 10.5416 10.7373 10.7373 10.9403 10.9403 11.5620 11.5620 11.8284 11.8284 12.4687 12.4687 12.4933 12.4933 k = 0.1163 0.3492 0.1399 ( 5326 PWs) bands (ev): -0.8681 -0.8681 -0.6460 -0.6460 4.6716 4.6716 5.1592 5.1592 6.0281 6.0281 6.3572 6.3572 6.4505 6.4505 6.6147 6.6147 7.8290 7.8290 7.8914 7.8914 7.9431 7.9431 7.9731 7.9731 8.1832 8.1832 8.2450 8.2450 8.5895 8.5895 8.9434 8.9434 8.9642 8.9642 9.0261 9.0261 9.2198 9.2198 9.3451 9.3451 9.7210 9.7210 10.5188 10.5188 10.7040 10.7040 10.8788 10.8788 11.5676 11.5676 11.8337 11.8337 12.4626 12.4626 12.5045 12.5045 k = 0.1279 0.3492 0.1399 ( 5322 PWs) bands (ev): -0.8521 -0.8521 -0.6326 -0.6326 4.6994 4.6994 5.1832 5.1832 6.0380 6.0380 6.3514 6.3514 6.4011 6.4011 6.5803 6.5803 7.8294 7.8294 7.8960 7.8960 7.9446 7.9446 7.9766 7.9766 8.1968 8.1968 8.2655 8.2655 8.5618 8.5618 8.9226 8.9226 8.9524 8.9524 9.0409 9.0409 9.2131 9.2131 9.3479 9.3479 9.7114 9.7114 10.4948 10.4948 10.6718 10.6718 10.8167 10.8167 11.5687 11.5687 11.8282 11.8282 12.4538 12.4538 12.5224 12.5224 k = 0.1395 0.3492 0.1399 ( 5322 PWs) bands (ev): -0.8349 -0.8349 -0.6182 -0.6182 4.7292 4.7292 5.2092 5.2092 6.0473 6.0473 6.3372 6.3372 6.3516 6.3516 6.5499 6.5499 7.8280 7.8280 7.9002 7.9002 7.9475 7.9475 7.9817 7.9817 8.2111 8.2111 8.2864 8.2864 8.5333 8.5333 8.8874 8.8874 8.9528 8.9528 9.0527 9.0527 9.2106 9.2106 9.3510 9.3510 9.7050 9.7050 10.4698 10.4698 10.6409 10.6409 10.7548 10.7548 11.5651 11.5651 11.8122 11.8122 12.4426 12.4426 12.5394 12.5394 k = 0.1512 0.3492 0.1399 ( 5320 PWs) bands (ev): -0.8164 -0.8164 -0.6028 -0.6028 4.7607 4.7607 5.2370 5.2370 6.0551 6.0551 6.2944 6.2944 6.3211 6.3211 6.5263 6.5263 7.8244 7.8244 7.9042 7.9042 7.9521 7.9521 7.9880 7.9880 8.2262 8.2262 8.3073 8.3073 8.5049 8.5049 8.8517 8.8517 8.9526 8.9526 9.0568 9.0568 9.2152 9.2152 9.3547 9.3547 9.7025 9.7025 10.4443 10.4443 10.6115 10.6115 10.6938 10.6938 11.5571 11.5571 11.7873 11.7873 12.4291 12.4291 12.5296 12.5296 k = 0.1628 0.3492 0.1399 ( 5320 PWs) bands (ev): -0.7967 -0.7967 -0.5864 -0.5864 4.7937 4.7937 5.2665 5.2665 6.0589 6.0589 6.2443 6.2443 6.2900 6.2900 6.5111 6.5111 7.8189 7.8189 7.9085 7.9085 7.9582 7.9582 7.9948 7.9948 8.2416 8.2416 8.3278 8.3278 8.4775 8.4775 8.8170 8.8170 8.9500 8.9500 9.0514 9.0514 9.2278 9.2278 9.3596 9.3596 9.7045 9.7045 10.4187 10.4187 10.5832 10.5832 10.6344 10.6344 11.5448 11.5448 11.7553 11.7553 12.4137 12.4137 12.4942 12.4942 k = 0.1744 0.3492 0.1399 ( 5318 PWs) bands (ev): -0.7759 -0.7759 -0.5692 -0.5692 4.8278 4.8278 5.2976 5.2976 6.0532 6.0532 6.2014 6.2014 6.2509 6.2509 6.5031 6.5031 7.8115 7.8115 7.9132 7.9132 7.9659 7.9659 8.0016 8.0016 8.2573 8.2573 8.3475 8.3475 8.4522 8.4522 8.7842 8.7842 8.9437 8.9437 9.0380 9.0380 9.2469 9.2469 9.3663 9.3663 9.7108 9.7108 10.3931 10.3931 10.5545 10.5545 10.5793 10.5793 11.5288 11.5288 11.7178 11.7178 12.3967 12.3967 12.4535 12.4535 k = 0.1860 0.3492 0.1399 ( 5316 PWs) bands (ev): -0.7540 -0.7540 -0.5511 -0.5511 4.8627 4.8627 5.3302 5.3302 6.0290 6.0290 6.1749 6.1749 6.2062 6.2062 6.5005 6.5005 7.8023 7.8023 7.9187 7.9187 7.9748 7.9748 8.0082 8.0082 8.2727 8.2727 8.3647 8.3647 8.4307 8.4307 8.7538 8.7538 8.9330 8.9330 9.0188 9.0188 9.2696 9.2696 9.3752 9.3752 9.7211 9.7211 10.3682 10.3682 10.5139 10.5139 10.5406 10.5406 11.5094 11.5094 11.6765 11.6765 12.3783 12.3783 12.4132 12.4132 k = 0.1977 0.3492 0.1399 ( 5316 PWs) bands (ev): -0.7312 -0.7312 -0.5324 -0.5324 4.8978 4.8978 5.3641 5.3641 5.9849 5.9849 6.1554 6.1554 6.1698 6.1698 6.5012 6.5012 7.7915 7.7915 7.9250 7.9250 7.9843 7.9843 8.0148 8.0148 8.2873 8.2873 8.3738 8.3738 8.4189 8.4189 8.7264 8.7264 8.9179 8.9179 8.9957 8.9957 9.2938 9.2938 9.3866 9.3866 9.7351 9.7351 10.3442 10.3442 10.4642 10.4642 10.5163 10.5163 11.4872 11.4872 11.6326 11.6326 12.3589 12.3589 12.3751 12.3751 k = 0.2093 0.3492 0.1399 ( 5322 PWs) bands (ev): -0.7074 -0.7074 -0.5130 -0.5130 4.9327 4.9327 5.3990 5.3990 5.9288 5.9288 6.1070 6.1070 6.1719 6.1719 6.5038 6.5038 7.7795 7.7795 7.9323 7.9323 7.9937 7.9937 8.0216 8.0216 8.3001 8.3001 8.3674 8.3674 8.4246 8.4246 8.7026 8.7026 8.8986 8.8986 8.9701 8.9701 9.3180 9.3180 9.3999 9.3999 9.7522 9.7522 10.3217 10.3217 10.4168 10.4168 10.4958 10.4958 11.4626 11.4626 11.5871 11.5871 12.3351 12.3351 12.3435 12.3435 k = 0.2209 0.3492 0.1399 ( 5330 PWs) bands (ev): -0.6829 -0.6829 -0.4931 -0.4931 4.9666 4.9666 5.4348 5.4348 5.8674 5.8674 6.0578 6.0578 6.1800 6.1800 6.5076 6.5076 7.7664 7.7664 7.9406 7.9406 8.0012 8.0012 8.0301 8.0301 8.3093 8.3093 8.3553 8.3553 8.4391 8.4391 8.6829 8.6829 8.8758 8.8758 8.9429 8.9429 9.3408 9.3408 9.4139 9.4139 9.7721 9.7721 10.3011 10.3011 10.3741 10.3741 10.4776 10.4776 11.4361 11.4361 11.5411 11.5411 12.3037 12.3037 12.3227 12.3227 k = 0.2326 0.3492 0.1399 ( 5324 PWs) bands (ev): -0.6576 -0.6576 -0.4727 -0.4727 4.9987 4.9987 5.4711 5.4711 5.8038 5.8038 6.0103 6.0103 6.1904 6.1904 6.5119 6.5119 7.7526 7.7526 7.9500 7.9500 8.0055 8.0055 8.0413 8.0413 8.3110 8.3110 8.3477 8.3477 8.4552 8.4552 8.6678 8.6678 8.8507 8.8507 8.9147 8.9147 9.3613 9.3613 9.4272 9.4272 9.7946 9.7946 10.2831 10.2831 10.3370 10.3370 10.4613 10.4613 11.4080 11.4080 11.4953 11.4953 12.2741 12.2741 12.3042 12.3042 k = 0.2442 0.3492 0.1399 ( 5324 PWs) bands (ev): -0.6318 -0.6318 -0.4520 -0.4520 5.0278 5.0278 5.5067 5.5067 5.7403 5.7403 5.9661 5.9661 6.2018 6.2018 6.5163 6.5163 7.7384 7.7384 7.9602 7.9602 8.0066 8.0066 8.0552 8.0552 8.3033 8.3033 8.3473 8.3473 8.4707 8.4707 8.6578 8.6578 8.8242 8.8242 8.8861 8.8861 9.3784 9.3784 9.4379 9.4379 9.8195 9.8195 10.2683 10.2683 10.3066 10.3066 10.4466 10.4466 11.3787 11.3787 11.4503 11.4503 12.2479 12.2479 12.2873 12.2873 k = 0.2558 0.3492 0.1399 ( 5326 PWs) bands (ev): -0.6055 -0.6055 -0.4311 -0.4311 5.0528 5.0528 5.5387 5.5387 5.6807 5.6807 5.9269 5.9269 6.2137 6.2137 6.5206 6.5206 7.7240 7.7240 7.9710 7.9710 8.0049 8.0049 8.0710 8.0710 8.2914 8.2914 8.3492 8.3492 8.4848 8.4848 8.6530 8.6530 8.7976 8.7976 8.8576 8.8576 9.3913 9.3913 9.4446 9.4446 9.8472 9.8472 10.2573 10.2573 10.2835 10.2835 10.4334 10.4334 11.3484 11.3484 11.4069 11.4069 12.2255 12.2255 12.2723 12.2723 k = 0.2674 0.3492 0.1399 ( 5330 PWs) bands (ev): -0.5787 -0.5787 -0.4101 -0.4101 5.0722 5.0722 5.5505 5.5505 5.6419 5.6419 5.8942 5.8942 6.2258 6.2258 6.5245 6.5245 7.7097 7.7097 7.9816 7.9816 8.0017 8.0017 8.0882 8.0882 8.2786 8.2786 8.3499 8.3499 8.4965 8.4965 8.6530 8.6530 8.7723 8.7723 8.8298 8.8298 9.3989 9.3989 9.4462 9.4462 9.8774 9.8774 10.2506 10.2506 10.2680 10.2680 10.4216 10.4216 11.3174 11.3174 11.3656 11.3656 12.2072 12.2072 12.2596 12.2596 k = 0.2791 0.3492 0.1399 ( 5328 PWs) bands (ev): -0.5517 -0.5517 -0.3891 -0.3891 5.0847 5.0847 5.5137 5.5137 5.6526 5.6526 5.8696 5.8696 6.2378 6.2378 6.5279 6.5279 7.6959 7.6959 7.9867 7.9867 8.0023 8.0023 8.1065 8.1065 8.2657 8.2657 8.3486 8.3486 8.5050 8.5050 8.6573 8.6573 8.7495 8.7495 8.8033 8.8033 9.4007 9.4007 9.4422 9.4422 9.9102 9.9102 10.2484 10.2484 10.2604 10.2604 10.4108 10.4108 11.2860 11.2860 11.3268 11.3268 12.1932 12.1932 12.2497 12.2497 k = 0.2907 0.3492 0.1399 ( 5336 PWs) bands (ev): -0.5246 -0.5246 -0.3683 -0.3683 5.0894 5.0894 5.4560 5.4560 5.6853 5.6853 5.8543 5.8543 6.2498 6.2498 6.5306 6.5306 7.6827 7.6827 7.9807 7.9807 8.0123 8.0123 8.1255 8.1255 8.2531 8.2531 8.3454 8.3454 8.5092 8.5092 8.6645 8.6645 8.7310 8.7310 8.7787 8.7787 9.3961 9.3961 9.4329 9.4329 9.9447 9.9447 10.2506 10.2506 10.2604 10.2604 10.4011 10.4011 11.2542 11.2542 11.2910 11.2910 12.1838 12.1838 12.2430 12.2430 k = 0.3023 0.3492 0.1399 ( 5336 PWs) bands (ev): -0.4975 -0.4975 -0.3477 -0.3477 5.0858 5.0858 5.3949 5.3949 5.7227 5.7227 5.8487 5.8487 6.2616 6.2616 6.5326 6.5326 7.6705 7.6705 7.9702 7.9702 8.0251 8.0251 8.1450 8.1450 8.2407 8.2407 8.3408 8.3408 8.5080 8.5080 8.6726 8.6726 8.7185 8.7185 8.7572 8.7572 9.3850 9.3850 9.4191 9.4191 9.9799 9.9799 10.2567 10.2567 10.2680 10.2680 10.3924 10.3924 11.2223 11.2223 11.2585 11.2585 12.1790 12.1790 12.2397 12.2397 k = 0.3140 0.3492 0.1399 ( 5340 PWs) bands (ev): -0.4705 -0.4705 -0.3276 -0.3276 5.0742 5.0742 5.3340 5.3340 5.7614 5.7614 5.8525 5.8525 6.2732 6.2732 6.5337 6.5337 7.6595 7.6595 7.9575 7.9575 8.0384 8.0384 8.1645 8.1645 8.2285 8.2285 8.3353 8.3353 8.5012 8.5012 8.6769 8.6769 8.7147 8.7147 8.7407 8.7407 9.3681 9.3681 9.4016 9.4016 10.0143 10.0143 10.2658 10.2658 10.2831 10.2831 10.3853 10.3853 11.1904 11.1904 11.2294 11.2294 12.1791 12.1791 12.2401 12.2401 k = 0.3256 0.3492 0.1399 ( 5334 PWs) bands (ev): -0.4438 -0.4438 -0.3080 -0.3080 5.0557 5.0557 5.2744 5.2744 5.8002 5.8002 5.8647 5.8647 6.2847 6.2847 6.5340 6.5340 7.6498 7.6498 7.9431 7.9431 8.0518 8.0518 8.1830 8.1830 8.2173 8.2173 8.3292 8.3292 8.4895 8.4895 8.6725 8.6725 8.7204 8.7204 8.7322 8.7322 9.3467 9.3467 9.3810 9.3810 10.0460 10.0460 10.2760 10.2760 10.3056 10.3056 10.3808 10.3808 11.1587 11.1587 11.2038 11.2038 12.1841 12.1841 12.2443 12.2443 k = 0.3372 0.3492 0.1399 ( 5336 PWs) bands (ev): -0.4175 -0.4175 -0.2891 -0.2891 5.0319 5.0319 5.2167 5.2167 5.8388 5.8388 5.8838 5.8838 6.2959 6.2959 6.5333 6.5333 7.6417 7.6417 7.9273 7.9273 8.0648 8.0648 8.1944 8.1944 8.2127 8.2127 8.3234 8.3234 8.4745 8.4745 8.6617 8.6617 8.7260 8.7260 8.7372 8.7372 9.3222 9.3222 9.3575 9.3575 10.0737 10.0737 10.2848 10.2848 10.3349 10.3349 10.3812 10.3812 11.1273 11.1273 11.1817 11.1817 12.1941 12.1941 12.2524 12.2524 k = 0.3488 0.3492 0.1399 ( 5336 PWs) bands (ev): -0.3918 -0.3918 -0.2710 -0.2710 5.0043 5.0043 5.1612 5.1612 5.8768 5.8768 5.9080 5.9080 6.3070 6.3070 6.5316 6.5316 7.6352 7.6352 7.9104 7.9104 8.0771 8.0771 8.1879 8.1879 8.2244 8.2244 8.3190 8.3190 8.4576 8.4576 8.6485 8.6485 8.7303 8.7303 8.7510 8.7510 9.2959 9.2959 9.3318 9.3318 10.0967 10.0967 10.2890 10.2890 10.3675 10.3675 10.3918 10.3918 11.0960 11.0960 11.1632 11.1632 12.2091 12.2091 12.2642 12.2642 k = 0.3605 0.3492 0.1399 ( 5336 PWs) bands (ev): -0.3667 -0.3667 -0.2540 -0.2540 4.9744 4.9744 5.1084 5.1084 5.9138 5.9138 5.9358 5.9358 6.3180 6.3180 6.5290 6.5290 7.6304 7.6304 7.8927 7.8927 8.0880 8.0880 8.1778 8.1778 8.2368 8.2368 8.3177 8.3177 8.4401 8.4401 8.6352 8.6352 8.7370 8.7370 8.7660 8.7660 9.2691 9.2691 9.3045 9.3045 10.1150 10.1150 10.2875 10.2875 10.3916 10.3916 10.4240 10.4240 11.0648 11.0648 11.1477 11.1477 12.2292 12.2292 12.2797 12.2797 k = 0.3721 0.3492 0.1399 ( 5322 PWs) bands (ev): -0.3426 -0.3426 -0.2380 -0.2380 4.9438 4.9438 5.0585 5.0585 5.9496 5.9496 5.9656 5.9656 6.3288 6.3288 6.5254 6.5254 7.6274 7.6274 7.8745 7.8745 8.0966 8.0966 8.1687 8.1687 8.2439 8.2439 8.3220 8.3220 8.4228 8.4228 8.6227 8.6227 8.7451 8.7451 8.7807 8.7807 9.2425 9.2425 9.2764 9.2764 10.1293 10.1293 10.2814 10.2814 10.4123 10.4123 10.4695 10.4695 11.0339 11.0339 11.1350 11.1350 12.2543 12.2543 12.2986 12.2986 k = 0.3837 0.3492 0.1399 ( 5326 PWs) bands (ev): -0.3194 -0.3194 -0.2234 -0.2234 4.9133 4.9133 5.0117 5.0117 5.9838 5.9838 5.9963 5.9963 6.3395 6.3395 6.5209 6.5209 7.6262 7.6262 7.8559 7.8559 8.1016 8.1016 8.1621 8.1621 8.2447 8.2447 8.3324 8.3324 8.4064 8.4064 8.6111 8.6111 8.7540 8.7540 8.7946 8.7946 9.2167 9.2167 9.2481 9.2481 10.1401 10.1401 10.2724 10.2724 10.4350 10.4350 10.5194 10.5194 11.0033 11.0033 11.1244 11.1244 12.2843 12.2843 12.3206 12.3206 k = 0.3953 0.3492 0.1399 ( 5338 PWs) bands (ev): -0.2974 -0.2974 -0.2102 -0.2102 4.8840 4.8840 4.9683 4.9683 6.0163 6.0163 6.0267 6.0267 6.3501 6.3501 6.5155 6.5155 7.6268 7.6268 7.8373 7.8373 8.1022 8.1022 8.1588 8.1588 8.2416 8.2416 8.3466 8.3466 8.3916 8.3916 8.6004 8.6004 8.7630 8.7630 8.8071 8.8071 9.1924 9.1924 9.2204 9.2204 10.1482 10.1482 10.2618 10.2618 10.4595 10.4595 10.5712 10.5712 10.9728 10.9728 11.1152 11.1152 12.3190 12.3190 12.3455 12.3455 k = 0.4070 0.3492 0.1399 ( 5336 PWs) bands (ev): -0.2767 -0.2767 -0.1985 -0.1985 4.8566 4.8566 4.9285 4.9285 6.0466 6.0466 6.0561 6.0561 6.3606 6.3606 6.5093 6.5093 7.6290 7.6290 7.8189 7.8189 8.0990 8.0990 8.1574 8.1574 8.2377 8.2377 8.3589 8.3589 8.3822 8.3822 8.5905 8.5905 8.7720 8.7720 8.8178 8.8178 9.1699 9.1699 9.1942 9.1942 10.1543 10.1543 10.2506 10.2506 10.4852 10.4852 10.6235 10.6235 10.9427 10.9427 11.1066 11.1066 12.3582 12.3582 12.3730 12.3730 k = 0.4186 0.3492 0.1399 ( 5338 PWs) bands (ev): -0.2575 -0.2575 -0.1885 -0.1885 4.8317 4.8317 4.8925 4.8925 6.0746 6.0746 6.0835 6.0835 6.3710 6.3710 6.5024 6.5024 7.6328 7.6328 7.8007 7.8007 8.0940 8.0940 8.1555 8.1555 8.2355 8.2355 8.3556 8.3556 8.3902 8.3902 8.5810 8.5810 8.7806 8.7806 8.8266 8.8266 9.1496 9.1496 9.1700 9.1700 10.1588 10.1588 10.2393 10.2393 10.5116 10.5116 10.6753 10.6753 10.9129 10.9129 11.0979 11.0979 12.4001 12.4001 12.4042 12.4042 k = 0.4302 0.3492 0.1399 ( 5334 PWs) bands (ev): -0.2398 -0.2398 -0.1803 -0.1803 4.8097 4.8097 4.8604 4.8604 6.0999 6.0999 6.1083 6.1083 6.3813 6.3813 6.4948 6.4948 7.6381 7.6381 7.7832 7.7832 8.0889 8.0889 8.1509 8.1509 8.2364 8.2364 8.3447 8.3447 8.4070 8.4070 8.5717 8.5717 8.7888 8.7888 8.8331 8.8331 9.1317 9.1317 9.1485 9.1485 10.1623 10.1623 10.2284 10.2284 10.5385 10.5385 10.7256 10.7256 10.8837 10.8837 11.0883 11.0883 12.4336 12.4336 12.4496 12.4496 k = 0.4419 0.3492 0.1399 ( 5336 PWs) bands (ev): -0.2238 -0.2238 -0.1739 -0.1739 4.7912 4.7912 4.8325 4.8325 6.1222 6.1222 6.1301 6.1301 6.3914 6.3914 6.4867 6.4867 7.6448 7.6448 7.7662 7.7662 8.0850 8.0850 8.1434 8.1434 8.2403 8.2403 8.3332 8.3332 8.4248 8.4248 8.5622 8.5622 8.7964 8.7964 8.8373 8.8373 9.1165 9.1165 9.1301 9.1301 10.1651 10.1651 10.2180 10.2180 10.5658 10.5658 10.7725 10.7725 10.8560 10.8560 11.0769 11.0769 12.4672 12.4672 12.5003 12.5003 k = 0.4535 0.3492 0.1399 ( 5350 PWs) bands (ev): -0.2097 -0.2097 -0.1696 -0.1696 4.7762 4.7762 4.8087 4.8087 6.1412 6.1412 6.1482 6.1482 6.4015 6.4015 6.4781 6.4781 7.6526 7.6526 7.7501 7.7501 8.0827 8.0827 8.1339 8.1339 8.2466 8.2466 8.3220 8.3220 8.4424 8.4424 8.5523 8.5523 8.8036 8.8036 8.8391 8.8391 9.1041 9.1041 9.1149 9.1149 10.1676 10.1676 10.2085 10.2085 10.5934 10.5934 10.8047 10.8047 10.8407 10.8407 11.0633 11.0633 12.5023 12.5023 12.5536 12.5536 k = 0.4651 0.3492 0.1399 ( 5344 PWs) bands (ev): -0.1974 -0.1974 -0.1672 -0.1672 4.7652 4.7652 4.7893 4.7893 6.1567 6.1567 6.1624 6.1624 6.4115 6.4115 6.4691 6.4691 7.6616 7.6616 7.7348 7.7348 8.0826 8.0826 8.1236 8.1236 8.2543 8.2543 8.3114 8.3114 8.4594 8.4594 8.5418 8.5418 8.8103 8.8103 8.8387 8.8387 9.0948 9.0948 9.1030 9.1030 10.1702 10.1702 10.2000 10.2000 10.6212 10.6212 10.7890 10.7890 10.8705 10.8705 11.0467 11.0467 12.5390 12.5390 12.6084 12.6084 k = 0.4767 0.3492 0.1399 ( 5338 PWs) bands (ev): -0.1872 -0.1872 -0.1670 -0.1670 4.7583 4.7583 4.7742 4.7742 6.1683 6.1683 6.1724 6.1724 6.4214 6.4214 6.4599 6.4599 7.6715 7.6715 7.7203 7.7203 8.0847 8.0847 8.1133 8.1133 8.2629 8.2629 8.3011 8.3011 8.4756 8.4756 8.5306 8.5306 8.8167 8.8167 8.8365 8.8365 9.0886 9.0886 9.0942 9.0942 10.1731 10.1731 10.1926 10.1926 10.6491 10.6491 10.7620 10.7620 10.9083 10.9083 11.0267 11.0267 12.5771 12.5771 12.6596 12.6596 k = 0.4884 0.3492 0.1399 ( 5344 PWs) bands (ev): -0.1789 -0.1789 -0.1688 -0.1688 4.7557 4.7557 4.7636 4.7636 6.1759 6.1759 6.1780 6.1780 6.4312 6.4312 6.4504 6.4504 7.6824 7.6824 7.7068 7.7068 8.0891 8.0891 8.1038 8.1038 8.2720 8.2720 8.2911 8.2911 8.4909 8.4909 8.5183 8.5183 8.8226 8.8226 8.8328 8.8328 9.0856 9.0856 9.0884 9.0884 10.1766 10.1766 10.1862 10.1862 10.6773 10.6773 10.7338 10.7338 10.9436 10.9436 11.0029 11.0029 12.6161 12.6161 12.6809 12.6809 k = 0.5000 0.3492 0.1399 ( 5340 PWs) bands (ev): -0.1728 -0.1728 -0.1728 -0.1728 4.7574 4.7574 4.7574 4.7574 6.1791 6.1791 6.1791 6.1791 6.4409 6.4409 6.4409 6.4409 7.6941 7.6941 7.6941 7.6941 8.0956 8.0956 8.0956 8.0956 8.2814 8.2814 8.2814 8.2814 8.5051 8.5051 8.5051 8.5051 8.8281 8.8281 8.8281 8.8281 9.0855 9.0855 9.0855 9.0855 10.1809 10.1809 10.1809 10.1809 10.7055 10.7055 10.7055 10.7055 10.9752 10.9752 10.9752 10.9752 12.6542 12.6542 12.6542 12.6542 k = 0.5000 0.3492 0.1399 ( 5340 PWs) bands (ev): -0.1728 -0.1728 -0.1728 -0.1728 4.7574 4.7574 4.7574 4.7574 6.1791 6.1791 6.1791 6.1791 6.4409 6.4409 6.4409 6.4409 7.6941 7.6941 7.6941 7.6941 8.0956 8.0956 8.0956 8.0956 8.2814 8.2814 8.2814 8.2814 8.5051 8.5051 8.5051 8.5051 8.8281 8.8281 8.8281 8.8281 9.0855 9.0855 9.0855 9.0855 10.1809 10.1809 10.1809 10.1809 10.7055 10.7055 10.7055 10.7055 10.9752 10.9752 10.9752 10.9752 12.6542 12.6542 12.6542 12.6542 k = 0.5000 0.3535 0.1291 ( 5338 PWs) bands (ev): -0.1730 -0.1730 -0.1728 -0.1728 4.7563 4.7563 4.7568 4.7568 6.1795 6.1795 6.1808 6.1808 6.4411 6.4411 6.4414 6.4414 7.6945 7.6945 7.6952 7.6952 8.0940 8.0940 8.0961 8.0961 8.2804 8.2804 8.2827 8.2827 8.5052 8.5052 8.5053 8.5053 8.8267 8.8267 8.8304 8.8304 9.0849 9.0849 9.0862 9.0862 10.1778 10.1778 10.1782 10.1782 10.7001 10.7001 10.7070 10.7070 10.9786 10.9786 10.9853 10.9853 12.6052 12.6052 12.6256 12.6256 k = 0.5000 0.3578 0.1184 ( 5336 PWs) bands (ev): -0.1733 -0.1733 -0.1730 -0.1730 4.7533 4.7533 4.7544 4.7544 6.1818 6.1818 6.1844 6.1844 6.4423 6.4423 6.4428 6.4428 7.6962 7.6962 7.6976 7.6976 8.0914 8.0914 8.0957 8.0957 8.2796 8.2796 8.2841 8.2841 8.5053 8.5053 8.5056 8.5056 8.8262 8.8262 8.8337 8.8337 9.0843 9.0843 9.0868 9.0868 10.1690 10.1690 10.1696 10.1696 10.6921 10.6921 10.7044 10.7044 10.9952 10.9952 11.0073 11.0073 12.5282 12.5282 12.5541 12.5541 k = 0.5000 0.3621 0.1077 ( 5340 PWs) bands (ev): -0.1739 -0.1739 -0.1734 -0.1734 4.7487 4.7487 4.7502 4.7502 6.1861 6.1861 6.1899 6.1899 6.4443 6.4443 6.4451 6.4451 7.6993 7.6993 7.7014 7.7014 8.0878 8.0878 8.0942 8.0942 8.2792 8.2792 8.2857 8.2857 8.5057 8.5057 8.5061 8.5061 8.8267 8.8267 8.8378 8.8378 9.0838 9.0838 9.0875 9.0875 10.1552 10.1552 10.1560 10.1560 10.6829 10.6829 10.6988 10.6988 11.0234 11.0234 11.0390 11.0390 12.4459 12.4459 12.4742 12.4742 k = 0.5000 0.3664 0.0969 ( 5342 PWs) bands (ev): -0.1746 -0.1746 -0.1739 -0.1739 4.7424 4.7424 4.7444 4.7444 6.1922 6.1922 6.1971 6.1971 6.4471 6.4471 6.4481 6.4481 7.7037 7.7037 7.7065 7.7065 8.0832 8.0832 8.0919 8.0919 8.2790 8.2790 8.2874 8.2874 8.5062 8.5062 8.5068 8.5068 8.8280 8.8280 8.8425 8.8425 9.0833 9.0833 9.0883 9.0883 10.1372 10.1372 10.1380 10.1380 10.6737 10.6737 10.6915 10.6915 11.0608 11.0608 11.0783 11.0783 12.3631 12.3631 12.3931 12.3931 k = 0.5000 0.3707 0.0862 ( 5342 PWs) bands (ev): -0.1755 -0.1755 -0.1747 -0.1747 4.7347 4.7347 4.7371 4.7371 6.1999 6.1999 6.2058 6.2058 6.4507 6.4507 6.4520 6.4520 7.7093 7.7093 7.7130 7.7130 8.0777 8.0777 8.0887 8.0887 8.2791 8.2791 8.2891 8.2891 8.5069 8.5069 8.5077 8.5077 8.8301 8.8301 8.8478 8.8478 9.0831 9.0831 9.0892 9.0892 10.1161 10.1161 10.1168 10.1168 10.6649 10.6649 10.6836 10.6836 11.1054 11.1054 11.1235 11.1235 12.2815 12.2815 12.3129 12.3130 k = 0.5000 0.3749 0.0755 ( 5340 PWs) bands (ev): -0.1765 -0.1765 -0.1755 -0.1755 4.7258 4.7258 4.7286 4.7286 6.2090 6.2090 6.2158 6.2158 6.4551 6.4551 6.4566 6.4566 7.7160 7.7160 7.7207 7.7207 8.0714 8.0714 8.0848 8.0848 8.2794 8.2794 8.2908 8.2908 8.5080 8.5080 8.5090 8.5090 8.8328 8.8328 8.8533 8.8533 9.0830 9.0830 9.0903 9.0903 10.0929 10.0929 10.0934 10.0934 10.6568 10.6568 10.6755 10.6755 11.1553 11.1553 11.1729 11.1729 12.2021 12.2021 12.2351 12.2351 k = 0.5000 0.3792 0.0648 ( 5340 PWs) bands (ev): -0.1777 -0.1777 -0.1766 -0.1766 4.7158 4.7158 4.7189 4.7189 6.2192 6.2192 6.2268 6.2268 6.4603 6.4603 6.4620 6.4620 7.7238 7.7238 7.7297 7.7297 8.0643 8.0643 8.0802 8.0802 8.2799 8.2799 8.2922 8.2922 8.5093 8.5093 8.5106 8.5106 8.8358 8.8358 8.8590 8.8590 9.0833 9.0833 9.0916 9.0916 10.0685 10.0685 10.0687 10.0687 10.6492 10.6492 10.6674 10.6674 11.2089 11.2089 11.2253 11.2253 12.1258 12.1258 12.1606 12.1606 k = 0.5000 0.3835 0.0540 ( 5346 PWs) bands (ev): -0.1790 -0.1790 -0.1777 -0.1777 4.7049 4.7049 4.7083 4.7083 6.2304 6.2304 6.2386 6.2386 6.4662 6.4662 6.4680 6.4680 7.7326 7.7326 7.7397 7.7397 8.0567 8.0567 8.0750 8.0750 8.2804 8.2804 8.2935 8.2935 8.5109 8.5109 8.5127 8.5127 8.8390 8.8390 8.8644 8.8644 9.0839 9.0839 9.0932 9.0932 10.0437 10.0437 10.0439 10.0439 10.6419 10.6419 10.6595 10.6595 11.2647 11.2647 11.2791 11.2791 12.0536 12.0536 12.0908 12.0908 k = 0.5000 0.3878 0.0433 ( 5346 PWs) bands (ev): -0.1805 -0.1805 -0.1791 -0.1791 4.6934 4.6934 4.6970 4.6970 6.2422 6.2422 6.2509 6.2509 6.4728 6.4728 6.4747 6.4747 7.7421 7.7421 7.7507 7.7507 8.0486 8.0486 8.0694 8.0694 8.2808 8.2808 8.2944 8.2944 8.5130 8.5130 8.5152 8.5152 8.8422 8.8422 8.8695 8.8695 9.0850 9.0850 9.0952 9.0952 10.0190 10.0190 10.0197 10.0197 10.6346 10.6346 10.6515 10.6515 11.3209 11.3209 11.3323 11.3323 11.9872 11.9872 12.0272 12.0272 k = 0.5000 0.3921 0.0326 ( 5342 PWs) bands (ev): -0.1821 -0.1821 -0.1805 -0.1805 4.6815 4.6815 4.6852 4.6852 6.2543 6.2543 6.2633 6.2633 6.4800 6.4800 6.4820 6.4820 7.7523 7.7523 7.7626 7.7626 8.0401 8.0401 8.0635 8.0635 8.2811 8.2811 8.2950 8.2950 8.5155 8.5155 8.5182 8.5182 8.8453 8.8453 8.8741 8.8741 9.0866 9.0866 9.0976 9.0976 9.9954 9.9954 9.9966 9.9966 10.6273 10.6273 10.6433 10.6433 11.3748 11.3748 11.3821 11.3821 11.9289 11.9289 11.9725 11.9725 k = 0.5000 0.3964 0.0218 ( 5342 PWs) bands (ev): -0.1838 -0.1838 -0.1820 -0.1820 4.6694 4.6694 4.6732 4.6732 6.2664 6.2664 6.2756 6.2756 6.4879 6.4879 6.4898 6.4898 7.7630 7.7630 7.7752 7.7752 8.0315 8.0315 8.0574 8.0574 8.2812 8.2812 8.2952 8.2952 8.5184 8.5184 8.5217 8.5217 8.8479 8.8479 8.8778 8.8778 9.0887 9.0887 9.1004 9.1004 9.9732 9.9732 9.9751 9.9751 10.6196 10.6196 10.6350 10.6350 11.4219 11.4219 11.4243 11.4243 11.8830 11.8830 11.9310 11.9310 k = 0.5000 0.4007 0.0111 ( 5346 PWs) bands (ev): -0.1856 -0.1856 -0.1837 -0.1837 4.6572 4.6572 4.6612 4.6612 6.2783 6.2783 6.2874 6.2874 6.4963 6.4963 6.4981 6.4981 7.7739 7.7739 7.7882 7.7882 8.0229 8.0229 8.0513 8.0513 8.2809 8.2809 8.2950 8.2950 8.5218 8.5218 8.5257 8.5257 8.8500 8.8500 8.8806 8.8806 9.0912 9.0912 9.1034 9.1034 9.9529 9.9529 9.9558 9.9558 10.6116 10.6116 10.6263 10.6263 11.4530 11.4530 11.4555 11.4555 11.8560 11.8560 11.9084 11.9084 k = 0.5000 0.4007 0.0111 ( 5346 PWs) bands (ev): -0.1856 -0.1856 -0.1837 -0.1837 4.6572 4.6572 4.6612 4.6612 6.2783 6.2783 6.2874 6.2874 6.4963 6.4963 6.4981 6.4981 7.7739 7.7739 7.7882 7.7882 8.0229 8.0229 8.0513 8.0513 8.2809 8.2809 8.2950 8.2950 8.5218 8.5218 8.5257 8.5257 8.8500 8.8500 8.8806 8.8806 9.0912 9.0912 9.1034 9.1034 9.9529 9.9529 9.9558 9.9558 10.6116 10.6116 10.6263 10.6263 11.4530 11.4530 11.4555 11.4555 11.8560 11.8560 11.9084 11.9084 k = 0.5000 0.3968 0.0004 ( 5348 PWs) bands (ev): -0.1851 -0.1851 -0.1833 -0.1833 4.6455 4.6455 4.6491 4.6491 6.2879 6.2879 6.2971 6.2971 6.5004 6.5004 6.5027 6.5027 7.7831 7.7831 7.7992 7.7992 8.0112 8.0112 8.0438 8.0438 8.2849 8.2849 8.2962 8.2962 8.5261 8.5261 8.5288 8.5288 8.8494 8.8494 8.8793 8.8793 9.0914 9.0914 9.1024 9.1024 9.9376 9.9376 9.9399 9.9399 10.6242 10.6242 10.6389 10.6389 11.4808 11.4808 11.4876 11.4876 11.8333 11.8333 11.8904 11.8904 k = 0.5000 0.3928-0.0104 ( 5358 PWs) bands (ev): -0.1847 -0.1847 -0.1831 -0.1831 4.6339 4.6339 4.6372 4.6372 6.2964 6.2964 6.3055 6.3055 6.5057 6.5057 6.5084 6.5084 7.7925 7.7925 7.8106 7.8106 7.9996 7.9996 8.0360 8.0360 8.2883 8.2883 8.2970 8.2970 8.5312 8.5312 8.5327 8.5327 8.8479 8.8479 8.8767 8.8767 9.0920 9.0920 9.1020 9.1020 9.9235 9.9235 9.9252 9.9252 10.6373 10.6373 10.6520 10.6520 11.4873 11.4873 11.4949 11.4949 11.8402 11.8402 11.8983 11.8983 k = 0.5000 0.3888-0.0212 ( 5362 PWs) bands (ev): -0.1844 -0.1844 -0.1829 -0.1829 4.6227 4.6227 4.6256 4.6256 6.3037 6.3037 6.3125 6.3125 6.5120 6.5120 6.5148 6.5148 7.8020 7.8020 7.8221 7.8221 7.9885 7.9885 8.0283 8.0283 8.2910 8.2910 8.2973 8.2973 8.5369 8.5369 8.5375 8.5375 8.8456 8.8456 8.8729 8.8729 9.0932 9.0932 9.1022 9.1022 9.9106 9.9106 9.9118 9.9118 10.6510 10.6510 10.6655 10.6655 11.4727 11.4727 11.4772 11.4772 11.8768 11.8768 11.9318 11.9318 k = 0.5000 0.3849-0.0319 ( 5352 PWs) bands (ev): -0.1841 -0.1841 -0.1827 -0.1827 4.6121 4.6121 4.6147 4.6147 6.3100 6.3100 6.3184 6.3184 6.5188 6.5188 6.5217 6.5217 7.8113 7.8113 7.8336 7.8336 7.9782 7.9782 8.0209 8.0209 8.2928 8.2928 8.2969 8.2969 8.5433 8.5433 8.5433 8.5433 8.8424 8.8424 8.8680 8.8680 9.0948 9.0948 9.1029 9.1029 9.8990 9.8990 9.8998 9.8998 10.6653 10.6653 10.6796 10.6796 11.4437 11.4437 11.4441 11.4441 11.9336 11.9336 11.9841 11.9841 k = 0.5000 0.3809-0.0427 ( 5348 PWs) bands (ev): -0.1839 -0.1839 -0.1827 -0.1827 4.6022 4.6022 4.6044 4.6044 6.3155 6.3155 6.3232 6.3232 6.5259 6.5259 6.5287 6.5287 7.8201 7.8201 7.8446 7.8446 7.9691 7.9691 8.0141 8.0141 8.2937 8.2937 8.2958 8.2958 8.5497 8.5497 8.5501 8.5501 8.8385 8.8385 8.8622 8.8622 9.0969 9.0969 9.1041 9.1041 9.8887 9.8887 9.8891 9.8891 10.6800 10.6800 10.6939 10.6939 11.4043 11.4043 11.4072 11.4072 12.0016 12.0016 12.0481 12.0481 k = 0.5000 0.3769-0.0534 ( 5352 PWs) bands (ev): -0.1837 -0.1837 -0.1826 -0.1826 4.5931 4.5931 4.5950 4.5950 6.3201 6.3201 6.3271 6.3271 6.5329 6.5329 6.5355 6.5355 7.8284 7.8284 7.8545 7.8545 7.9618 7.9618 8.0079 8.0079 8.2937 8.2937 8.2942 8.2942 8.5565 8.5565 8.5572 8.5572 8.8342 8.8342 8.8555 8.8555 9.0993 9.0993 9.1055 9.1055 9.8797 9.8797 9.8798 9.8798 10.6949 10.6949 10.7084 10.7084 11.3627 11.3627 11.3680 11.3680 12.0757 12.0757 12.1187 12.1187 k = 0.5000 0.3730-0.0642 ( 5352 PWs) bands (ev): -0.1836 -0.1836 -0.1826 -0.1826 4.5850 4.5850 4.5866 4.5866 6.3241 6.3241 6.3303 6.3303 6.5395 6.5395 6.5419 6.5419 7.8358 7.8358 7.8626 7.8626 7.9568 7.9568 8.0024 8.0024 8.2922 8.2922 8.2930 8.2930 8.5636 8.5636 8.5644 8.5644 8.8296 8.8296 8.8485 8.8485 9.1017 9.1017 9.1071 9.1071 9.8719 9.8719 9.8720 9.8720 10.7100 10.7100 10.7228 10.7228 11.3224 11.3224 11.3291 11.3291 12.1526 12.1526 12.1924 12.1924 k = 0.5000 0.3690-0.0750 ( 5356 PWs) bands (ev): -0.1835 -0.1835 -0.1827 -0.1827 4.5779 4.5779 4.5792 4.5792 6.3274 6.3274 6.3327 6.3327 6.5455 6.5455 6.5475 6.5475 7.8424 7.8424 7.8684 7.8684 7.9545 7.9545 7.9975 7.9975 8.2900 8.2900 8.2917 8.2917 8.5706 8.5706 8.5714 8.5714 8.8252 8.8252 8.8413 8.8413 9.1042 9.1042 9.1087 9.1087 9.8653 9.8653 9.8656 9.8656 10.7249 10.7249 10.7366 10.7366 11.2851 11.2851 11.2925 11.2925 12.2300 12.2300 12.2666 12.2666 k = 0.5000 0.3650-0.0857 ( 5364 PWs) bands (ev): -0.1834 -0.1834 -0.1827 -0.1827 4.5720 4.5720 4.5731 4.5731 6.3302 6.3302 6.3345 6.3345 6.5506 6.5506 6.5523 6.5523 7.8482 7.8482 7.8715 7.8715 7.9551 7.9551 7.9930 7.9930 8.2879 8.2879 8.2900 8.2900 8.5771 8.5771 8.5777 8.5777 8.8212 8.8212 8.8343 8.8343 9.1065 9.1065 9.1101 9.1101 9.8600 9.8600 9.8603 9.8603 10.7390 10.7390 10.7494 10.7494 11.2523 11.2523 11.2595 11.2595 12.3053 12.3053 12.3382 12.3382 k = 0.5000 0.3611-0.0965 ( 5362 PWs) bands (ev): -0.1833 -0.1833 -0.1828 -0.1828 4.5674 4.5674 4.5682 4.5682 6.3325 6.3325 6.3357 6.3357 6.5548 6.5548 6.5562 6.5562 7.8533 7.8533 7.8721 7.8721 7.9582 7.9582 7.9886 7.9886 8.2861 8.2861 8.2882 8.2882 8.5828 8.5828 8.5832 8.5832 8.8179 8.8179 8.8280 8.8280 9.1085 9.1085 9.1113 9.1113 9.8560 9.8560 9.8563 9.8563 10.7518 10.7518 10.7602 10.7602 11.2252 11.2252 11.2315 11.2315 12.3754 12.3754 12.4034 12.4034 k = 0.5000 0.3571-0.1072 ( 5358 PWs) bands (ev): -0.1832 -0.1832 -0.1828 -0.1828 4.5641 4.5641 4.5646 4.5646 6.3342 6.3342 6.3364 6.3364 6.5580 6.5580 6.5589 6.5589 7.8578 7.8578 7.8709 7.8709 7.9629 7.9629 7.9841 7.9841 8.2849 8.2849 8.2866 8.2866 8.5871 8.5871 8.5875 8.5875 8.8158 8.8158 8.8226 8.8226 9.1102 9.1102 9.1121 9.1121 9.8532 9.8532 9.8534 9.8534 10.7624 10.7624 10.7684 10.7684 11.2052 11.2052 11.2099 11.2099 12.4356 12.4356 12.4568 12.4568 k = 0.5000 0.3531-0.1180 ( 5362 PWs) bands (ev): -0.1831 -0.1831 -0.1829 -0.1829 4.5621 4.5621 4.5624 4.5624 6.3355 6.3355 6.3366 6.3366 6.5600 6.5600 6.5604 6.5604 7.8618 7.8618 7.8684 7.8684 7.9684 7.9684 7.9792 7.9792 8.2843 8.2843 8.2852 8.2852 8.5899 8.5899 8.5901 8.5901 8.8151 8.8151 8.8185 8.8185 9.1114 9.1114 9.1124 9.1124 9.8515 9.8515 9.8516 9.8516 10.7699 10.7699 10.7731 10.7731 11.1932 11.1932 11.1957 11.1957 12.4795 12.4795 12.4912 12.4912 k = 0.5000 0.3492-0.1287 ( 5368 PWs) bands (ev): -0.1830 -0.1830 -0.1830 -0.1830 4.5616 4.5616 4.5616 4.5616 6.3363 6.3363 6.3363 6.3363 6.5608 6.5608 6.5608 6.5608 7.8653 7.8653 7.8653 7.8653 7.9739 7.9739 7.9739 7.9739 8.2845 8.2845 8.2845 8.2845 8.5909 8.5909 8.5909 8.5909 8.8160 8.8160 8.8160 8.8160 9.1121 9.1121 9.1121 9.1121 9.8510 9.8510 9.8510 9.8510 10.7736 10.7736 10.7736 10.7736 11.1900 11.1900 11.1900 11.1900 12.4995 12.4995 12.4995 12.4995 k = 0.5000 0.3492-0.1287 ( 5368 PWs) bands (ev): -0.1830 -0.1830 -0.1830 -0.1830 4.5616 4.5616 4.5616 4.5616 6.3363 6.3363 6.3363 6.3363 6.5608 6.5608 6.5608 6.5608 7.8653 7.8653 7.8653 7.8653 7.9739 7.9739 7.9739 7.9739 8.2845 8.2845 8.2845 8.2845 8.5909 8.5909 8.5909 8.5909 8.8160 8.8160 8.8160 8.8160 9.1121 9.1121 9.1121 9.1121 9.8510 9.8510 9.8510 9.8510 10.7736 10.7736 10.7736 10.7736 11.1900 11.1900 11.1900 11.1900 12.4995 12.4995 12.4995 12.4995 k = 0.4884 0.3492-0.1287 ( 5364 PWs) bands (ev): -0.1884 -0.1884 -0.1797 -0.1797 4.5523 4.5523 4.5752 4.5752 6.3263 6.3263 6.3381 6.3381 6.5497 6.5497 6.5761 6.5761 7.8350 7.8350 7.8957 7.8957 7.9656 7.9656 7.9834 7.9834 8.2838 8.2838 8.2849 8.2849 8.5858 8.5858 8.5954 8.5954 8.7936 8.7936 8.8357 8.8357 9.0933 9.0933 9.1348 9.1348 9.8371 9.8371 9.8675 9.8675 10.7425 10.7425 10.8055 10.8055 11.1644 11.1644 11.2158 11.2158 12.4510 12.4510 12.5483 12.5483 k = 0.4767 0.3492-0.1287 ( 5362 PWs) bands (ev): -0.1958 -0.1958 -0.1784 -0.1784 4.5473 4.5473 4.5929 4.5929 6.3096 6.3096 6.3306 6.3306 6.5415 6.5415 6.5959 6.5959 7.8065 7.8065 7.9224 7.9224 7.9596 7.9596 7.9944 7.9944 8.2830 8.2830 8.2852 8.2852 8.5793 8.5793 8.5997 8.5997 8.7693 8.7693 8.8522 8.8522 9.0791 9.0791 9.1604 9.1604 9.8260 9.8260 9.8861 9.8861 10.7127 10.7127 10.8374 10.8374 11.1389 11.1389 11.2419 11.2419 12.4032 12.4032 12.5973 12.5973 k = 0.4651 0.3492-0.1287 ( 5364 PWs) bands (ev): -0.2053 -0.2053 -0.1792 -0.1792 4.5466 4.5466 4.6146 4.6146 6.2882 6.2882 6.3143 6.3143 6.5349 6.5349 6.6198 6.6198 7.7810 7.7810 7.9358 7.9358 7.9627 7.9627 8.0077 8.0077 8.2822 8.2822 8.2852 8.2852 8.5710 8.5710 8.6039 8.6039 8.7449 8.7449 8.8652 8.8652 9.0696 9.0696 9.1878 9.1878 9.8183 9.8183 9.9066 9.9066 10.6851 10.6851 10.8683 10.8683 11.1135 11.1135 11.2688 11.2688 12.3562 12.3562 12.6459 12.6459 k = 0.4535 0.3492-0.1287 ( 5356 PWs) bands (ev): -0.2168 -0.2168 -0.1819 -0.1819 4.5504 4.5504 4.6401 4.6401 6.2635 6.2635 6.2901 6.2901 6.5287 6.5287 6.6469 6.6469 7.7591 7.7591 7.9334 7.9334 7.9756 7.9756 8.0234 8.0234 8.2812 8.2812 8.2854 8.2854 8.5605 8.5605 8.6066 8.6066 8.7237 8.7237 8.8747 8.8747 9.0649 9.0649 9.2163 9.2163 9.8142 9.8142 9.9287 9.9287 10.6601 10.6601 10.8973 10.8973 11.0884 11.0884 11.2969 11.2969 12.3104 12.3104 12.6936 12.6936 k = 0.4419 0.3492-0.1287 ( 5358 PWs) bands (ev): -0.2302 -0.2302 -0.1864 -0.1864 4.5584 4.5584 4.6692 4.6692 6.2362 6.2362 6.2596 6.2596 6.5223 6.5223 6.6761 6.6761 7.7408 7.7408 7.9276 7.9276 7.9866 7.9866 8.0392 8.0392 8.2797 8.2797 8.2863 8.2863 8.5476 8.5476 8.6033 8.6033 8.7115 8.7115 8.8809 8.8809 9.0643 9.0643 9.2447 9.2447 9.8144 9.8144 9.9521 9.9521 10.6382 10.6382 10.9237 10.9237 11.0637 11.0637 11.3269 11.3269 12.2659 12.2659 12.7389 12.7389 k = 0.4302 0.3492-0.1287 ( 5358 PWs) bands (ev): -0.2455 -0.2455 -0.1928 -0.1928 4.5707 4.5707 4.7015 4.7015 6.2052 6.2052 6.2258 6.2258 6.5153 6.5153 6.7068 6.7068 7.7261 7.7261 7.9220 7.9220 7.9944 7.9944 8.0518 8.0518 8.2779 8.2779 8.2882 8.2882 8.5324 8.5324 8.5895 8.5895 8.7139 8.7139 8.8842 8.8842 9.0671 9.0671 9.2726 9.2726 9.8191 9.8191 9.9765 9.9765 10.6199 10.6199 10.9463 10.9463 11.0400 11.0400 11.3592 11.3592 12.2230 12.2230 12.7781 12.7781 k = 0.4186 0.3492-0.1287 ( 5362 PWs) bands (ev): -0.2626 -0.2626 -0.2008 -0.2008 4.5871 4.5871 4.7367 4.7367 6.1677 6.1677 6.1934 6.1934 6.5076 6.5076 6.7380 6.7380 7.7143 7.7143 7.9177 7.9177 7.9993 7.9993 8.0597 8.0597 8.2756 8.2756 8.2913 8.2913 8.5150 8.5150 8.5668 8.5668 8.7288 8.7288 8.8854 8.8854 9.0725 9.0725 9.2993 9.2993 9.8287 9.8287 10.0017 10.0017 10.6054 10.6054 10.9644 10.9644 11.0178 11.0178 11.3946 11.3946 12.1820 12.1820 12.7997 12.7997 k = 0.4070 0.3492-0.1287 ( 5358 PWs) bands (ev): -0.2814 -0.2814 -0.2105 -0.2105 4.6075 4.6075 4.7742 4.7742 6.1235 6.1235 6.1640 6.1640 6.4992 6.4992 6.7692 6.7692 7.7048 7.7048 7.9155 7.9155 8.0010 8.0010 8.0630 8.0630 8.2730 8.2730 8.2956 8.2956 8.4961 8.4961 8.5400 8.5400 8.7498 8.7498 8.8864 8.8864 9.0801 9.0801 9.3246 9.3246 9.8433 9.8433 10.0275 10.0275 10.5947 10.5947 10.9764 10.9764 10.9989 10.9989 11.4333 11.4333 12.1433 12.1433 12.7904 12.7904 k = 0.3953 0.3492-0.1287 ( 5350 PWs) bands (ev): -0.3017 -0.3017 -0.2216 -0.2216 4.6316 4.6316 4.8137 4.8137 6.0755 6.0755 6.1362 6.1362 6.4901 6.4901 6.7996 6.7996 7.6966 7.6966 7.9159 7.9159 7.9986 7.9986 8.0636 8.0636 8.2698 8.2698 8.3008 8.3008 8.4760 8.4760 8.5122 8.5122 8.7691 8.7691 8.8907 8.8907 9.0892 9.0892 9.3483 9.3483 9.8629 9.8629 10.0534 10.0534 10.5878 10.5878 10.9731 10.9731 10.9927 10.9927 11.4756 11.4756 12.1072 12.1072 12.7632 12.7632 k = 0.3837 0.3492-0.1287 ( 5350 PWs) bands (ev): -0.3235 -0.3235 -0.2340 -0.2340 4.6594 4.6594 4.8543 4.8543 6.0257 6.0257 6.1094 6.1094 6.4806 6.4806 6.8285 6.8285 7.6893 7.6893 7.9197 7.9197 7.9910 7.9910 8.0635 8.0635 8.2658 8.2658 8.3070 8.3070 8.4554 8.4554 8.4851 8.4851 8.7788 8.7788 8.9036 8.9036 9.0997 9.0997 9.3704 9.3704 9.8872 9.8872 10.0793 10.0793 10.5843 10.5843 10.9598 10.9598 10.9951 10.9951 11.5214 11.5214 12.0742 12.0742 12.7311 12.7311 k = 0.3721 0.3492-0.1287 ( 5354 PWs) bands (ev): -0.3465 -0.3465 -0.2476 -0.2476 4.6904 4.6904 4.8951 4.8951 5.9758 5.9758 6.0836 6.0836 6.4708 6.4708 6.8553 6.8553 7.6823 7.6823 7.9270 7.9270 7.9778 7.9778 8.0642 8.0642 8.2604 8.2604 8.3138 8.3138 8.4350 8.4350 8.4598 8.4598 8.7754 8.7754 8.9268 8.9268 9.1113 9.1113 9.3913 9.3913 9.9160 9.9160 10.1046 10.1046 10.5835 10.5835 10.9490 10.9490 10.9948 10.9948 11.5706 11.5706 12.0444 12.0444 12.6979 12.6979 k = 0.3605 0.3492-0.1287 ( 5352 PWs) bands (ev): -0.3707 -0.3707 -0.2623 -0.2623 4.7245 4.7245 4.9352 4.9352 5.9274 5.9274 6.0588 6.0588 6.4608 6.4608 6.8792 6.8792 7.6756 7.6756 7.9377 7.9377 7.9600 7.9600 8.0659 8.0659 8.2535 8.2535 8.3208 8.3208 8.4161 8.4161 8.4367 8.4367 8.7616 8.7616 8.9560 8.9560 9.1238 9.1238 9.4112 9.4112 9.9488 9.9488 10.1292 10.1292 10.5848 10.5848 10.9429 10.9429 10.9913 10.9913 11.6228 11.6228 12.0184 12.0184 12.6648 12.6648 k = 0.3488 0.3492-0.1287 ( 5350 PWs) bands (ev): -0.3959 -0.3959 -0.2780 -0.2780 4.7612 4.7612 4.9728 4.9728 5.8823 5.8823 6.0353 6.0353 6.4508 6.4508 6.8993 6.8993 7.6696 7.6696 7.9358 7.9358 7.9546 7.9546 8.0684 8.0684 8.2445 8.2445 8.3268 8.3268 8.4004 8.4004 8.4162 8.4162 8.7412 8.7412 8.9866 8.9866 9.1371 9.1371 9.4305 9.4305 9.9849 9.9849 10.1525 10.1525 10.5873 10.5873 10.9427 10.9427 10.9851 10.9851 11.6778 11.6778 11.9966 11.9966 12.6322 12.6322 k = 0.3372 0.3492-0.1287 ( 5348 PWs) bands (ev): -0.4220 -0.4220 -0.2945 -0.2945 4.8001 4.8001 5.0064 5.0064 5.8427 5.8427 6.0131 6.0131 6.4408 6.4408 6.9147 6.9147 7.6650 7.6650 7.9117 7.9117 7.9717 7.9717 8.0713 8.0713 8.2333 8.2333 8.3291 8.3291 8.3908 8.3908 8.3990 8.3990 8.7165 8.7165 9.0155 9.0155 9.1511 9.1511 9.4493 9.4493 10.0238 10.0238 10.1742 10.1742 10.5901 10.5901 10.9486 10.9486 10.9776 10.9776 11.7349 11.7349 11.9792 11.9792 12.6004 12.6004 k = 0.3256 0.3492-0.1287 ( 5342 PWs) bands (ev): -0.4487 -0.4487 -0.3116 -0.3116 4.8407 4.8407 5.0336 5.0336 5.8108 5.8108 5.9926 5.9926 6.4311 6.4311 6.9248 6.9248 7.6626 7.6626 7.8848 7.8848 7.9918 7.9918 8.0744 8.0744 8.2199 8.2199 8.3252 8.3252 8.3821 8.3821 8.3934 8.3934 8.6892 8.6892 9.0410 9.0410 9.1657 9.1657 9.4679 9.4679 10.0644 10.0644 10.1940 10.1940 10.5930 10.5930 10.9556 10.9556 10.9753 10.9753 11.7935 11.7935 11.9672 11.9672 12.5696 12.5696 k = 0.3140 0.3492-0.1287 ( 5344 PWs) bands (ev): -0.4759 -0.4759 -0.3293 -0.3293 4.8826 4.8826 5.0521 5.0521 5.7893 5.7893 5.9740 5.9740 6.4218 6.4218 6.9289 6.9289 7.6630 7.6630 7.8565 7.8565 8.0133 8.0133 8.0776 8.0776 8.2048 8.2048 8.3162 8.3162 8.3708 8.3708 8.4016 8.4016 8.6603 8.6603 9.0622 9.0622 9.1806 9.1806 9.4864 9.4864 10.1058 10.1058 10.2116 10.2116 10.5961 10.5961 10.9500 10.9500 10.9927 10.9927 11.8513 11.8513 11.9625 11.9625 12.5400 12.5400 k = 0.3023 0.3492-0.1287 ( 5336 PWs) bands (ev): -0.5035 -0.5035 -0.3475 -0.3475 4.9249 4.9249 5.0598 5.0598 5.7801 5.7801 5.9579 5.9579 6.4130 6.4130 6.9267 6.9267 7.6666 7.6666 7.8274 7.8274 8.0348 8.0348 8.0811 8.0811 8.1889 8.1889 8.3054 8.3054 8.3622 8.3622 8.4153 8.4153 8.6308 8.6308 9.0790 9.0790 9.1958 9.1958 9.5045 9.5045 10.1463 10.1463 10.2272 10.2272 10.6003 10.6003 10.9399 10.9399 11.0222 11.0222 11.9006 11.9006 11.9728 11.9728 12.5116 12.5116 k = 0.2907 0.3492-0.1287 ( 5338 PWs) bands (ev): -0.5314 -0.5314 -0.3659 -0.3659 4.9671 4.9671 5.0559 5.0559 5.7842 5.7842 5.9446 5.9446 6.4048 6.4048 6.9181 6.9181 7.6732 7.6732 7.7981 7.7981 8.0532 8.0532 8.0853 8.0853 8.1743 8.1743 8.2943 8.2943 8.3566 8.3566 8.4321 8.4321 8.6016 8.6016 9.0912 9.0912 9.2112 9.2112 9.5221 9.5221 10.1832 10.1832 10.2416 10.2416 10.6070 10.6070 10.9295 10.9295 11.0594 11.0594 11.9258 11.9258 12.0134 12.0134 12.4849 12.4849 k = 0.2791 0.3492-0.1287 ( 5340 PWs) bands (ev): -0.5593 -0.5593 -0.3845 -0.3845 5.0080 5.0080 5.0408 5.0408 5.8012 5.8012 5.9346 5.9346 6.3975 6.3975 6.9037 6.9037 7.6816 7.6816 7.7701 7.7701 8.0643 8.0643 8.0899 8.0899 8.1650 8.1650 8.2838 8.2838 8.3544 8.3544 8.4505 8.4505 8.5738 8.5738 9.0990 9.0990 9.2270 9.2270 9.5388 9.5388 10.2123 10.2123 10.2571 10.2571 10.6180 10.6180 10.9199 10.9199 11.1031 11.1031 11.9372 11.9372 12.0735 12.0735 12.4598 12.4598 k = 0.2674 0.3492-0.1287 ( 5340 PWs) bands (ev): -0.5872 -0.5872 -0.4032 -0.4032 5.0154 5.0154 5.0477 5.0477 5.8292 5.8292 5.9287 5.9287 6.3912 6.3912 6.8840 6.8840 7.6873 7.6873 7.7477 7.7477 8.0662 8.0662 8.0905 8.0905 8.1663 8.1663 8.2742 8.2742 8.3558 8.3558 8.4690 8.4690 8.5490 8.5490 9.1028 9.1028 9.2434 9.2434 9.5541 9.5541 10.2294 10.2294 10.2761 10.2761 10.6352 10.6352 10.9114 10.9114 11.1523 11.1523 11.9480 11.9480 12.1397 12.1397 12.4366 12.4366 k = 0.2558 0.3492-0.1287 ( 5338 PWs) bands (ev): -0.6148 -0.6148 -0.4219 -0.4219 4.9833 4.9833 5.0837 5.0837 5.8658 5.8658 5.9274 5.9274 6.3861 6.3861 6.8597 6.8597 7.6787 7.6787 7.7423 7.7423 8.0591 8.0591 8.0871 8.0871 8.1766 8.1766 8.2666 8.2666 8.3615 8.3615 8.4819 8.4819 8.5330 8.5330 9.1028 9.1028 9.2608 9.2608 9.5676 9.5676 10.2370 10.2370 10.2949 10.2949 10.6602 10.6602 10.9042 10.9042 11.2063 11.2063 11.9612 11.9612 12.2081 12.2081 12.4155 12.4155 k = 0.2442 0.3492-0.1287 ( 5332 PWs) bands (ev): -0.6421 -0.6421 -0.4404 -0.4404 4.9458 4.9458 5.1160 5.1160 5.9079 5.9079 5.9320 5.9320 6.3827 6.3827 6.8319 6.8319 7.6553 7.6553 7.7537 7.7537 8.0440 8.0440 8.0844 8.0844 8.1873 8.1873 8.2627 8.2627 8.3720 8.3720 8.4775 8.4775 8.5375 8.5375 9.0994 9.0994 9.2796 9.2796 9.5789 9.5789 10.2397 10.2397 10.3090 10.3090 10.6933 10.6933 10.8982 10.8982 11.2644 11.2644 11.9774 11.9774 12.2770 12.2770 12.3969 12.3969 k = 0.2326 0.3492-0.1287 ( 5332 PWs) bands (ev): -0.6690 -0.6690 -0.4587 -0.4587 4.9049 4.9049 5.1436 5.1436 5.9365 5.9365 5.9596 5.9596 6.3814 6.3814 6.8013 6.8013 7.6270 7.6270 7.7717 7.7717 8.0250 8.0250 8.0820 8.0820 8.1920 8.1920 8.2642 8.2642 8.3878 8.3878 8.4624 8.4624 8.5564 8.5564 9.0930 9.0930 9.3000 9.3000 9.5877 9.5877 10.2398 10.2398 10.3173 10.3173 10.7336 10.7336 10.8932 10.8932 11.3261 11.3261 11.9962 11.9962 12.3414 12.3414 12.3840 12.3840 k = 0.2209 0.3492-0.1287 ( 5332 PWs) bands (ev): -0.6953 -0.6953 -0.4767 -0.4767 4.8620 4.8620 5.1659 5.1659 5.9514 5.9514 6.0087 6.0087 6.3825 6.3825 6.7687 6.7687 7.5975 7.5975 7.7922 7.7922 8.0046 8.0046 8.0790 8.0790 8.1896 8.1896 8.2705 8.2705 8.4070 8.4070 8.4487 8.4487 8.5793 8.5793 9.0840 9.0840 9.3224 9.3224 9.5936 9.5936 10.2385 10.2385 10.3206 10.3206 10.7796 10.7796 10.8889 10.8889 11.3908 11.3908 12.0167 12.0167 12.3562 12.3562 12.4144 12.4144 k = 0.2093 0.3492-0.1287 ( 5328 PWs) bands (ev): -0.7209 -0.7209 -0.4942 -0.4942 4.8185 4.8185 5.1827 5.1827 5.9696 5.9696 6.0603 6.0603 6.3870 6.3870 6.7349 6.7349 7.5679 7.5679 7.8134 7.8134 7.9839 7.9839 8.0750 8.0750 8.1827 8.1827 8.2788 8.2788 8.4165 8.4165 8.4513 8.4513 8.6032 8.6032 9.0728 9.0728 9.3469 9.3469 9.5964 9.5964 10.2369 10.2369 10.3202 10.3202 10.8295 10.8295 10.8853 10.8853 11.4582 11.4582 12.0374 12.0374 12.3407 12.3407 12.4083 12.4083 k = 0.1977 0.3492-0.1287 ( 5318 PWs) bands (ev): -0.7456 -0.7456 -0.5113 -0.5113 4.7750 4.7750 5.1942 5.1942 5.9909 5.9909 6.1122 6.1122 6.3955 6.3955 6.7005 6.7005 7.5388 7.5388 7.8345 7.8345 7.9638 7.9638 8.0697 8.0697 8.1740 8.1740 8.2871 8.2871 8.4088 8.4088 8.4773 8.4773 8.6276 8.6276 9.0596 9.0596 9.3740 9.3740 9.5959 9.5959 10.2357 10.2357 10.3173 10.3173 10.8754 10.8754 10.8882 10.8882 11.5278 11.5278 12.0546 12.0546 12.3123 12.3123 12.3659 12.3659 k = 0.1860 0.3492-0.1287 ( 5314 PWs) bands (ev): -0.7695 -0.7695 -0.5277 -0.5277 4.7322 4.7322 5.2007 5.2007 6.0137 6.0137 6.1637 6.1637 6.4092 6.4092 6.6661 6.6661 7.5103 7.5103 7.8542 7.8542 7.9455 7.9455 8.0630 8.0630 8.1649 8.1649 8.2947 8.2947 8.3991 8.3991 8.5098 8.5098 8.6521 8.6521 9.0449 9.0449 9.4036 9.4036 9.5919 9.5919 10.2355 10.2355 10.3130 10.3130 10.8758 10.8758 10.9376 10.9376 11.5992 11.5992 12.0602 12.0602 12.2699 12.2699 12.3456 12.3456 k = 0.1744 0.3492-0.1287 ( 5318 PWs) bands (ev): -0.7924 -0.7924 -0.5435 -0.5435 4.6906 4.6906 5.2029 5.2029 6.0361 6.0361 6.2139 6.2139 6.4287 6.4287 6.6322 6.6322 7.4827 7.4827 7.8695 7.8695 7.9319 7.9319 8.0550 8.0550 8.1561 8.1561 8.3014 8.3014 8.3908 8.3908 8.5436 8.5436 8.6774 8.6774 9.0290 9.0290 9.4360 9.4360 9.5844 9.5844 10.2366 10.2366 10.3082 10.3082 10.8715 10.8715 10.9917 10.9917 11.6720 11.6720 12.0404 12.0404 12.2429 12.2429 12.3360 12.3360 k = 0.1628 0.3492-0.1287 ( 5330 PWs) bands (ev): -0.8143 -0.8143 -0.5586 -0.5586 4.6505 4.6505 5.2016 5.2016 6.0566 6.0566 6.2622 6.2622 6.4548 6.4548 6.5994 6.5994 7.4562 7.4562 7.8734 7.8734 7.9298 7.9298 8.0459 8.0459 8.1480 8.1480 8.3072 8.3072 8.3844 8.3844 8.5762 8.5762 8.7042 8.7042 9.0119 9.0119 9.4712 9.4712 9.5736 9.5736 10.2394 10.2394 10.3035 10.3035 10.8664 10.8664 11.0455 11.0455 11.7457 11.7457 11.9905 11.9905 12.2422 12.2422 12.3309 12.3309 k = 0.1512 0.3492-0.1287 ( 5334 PWs) bands (ev): -0.8349 -0.8349 -0.5730 -0.5730 4.6124 4.6124 5.1976 5.1976 6.0741 6.0741 6.3078 6.3078 6.4874 6.4874 6.5682 6.5682 7.4309 7.4309 7.8644 7.8644 7.9409 7.9409 8.0361 8.0361 8.1406 8.1406 8.3121 8.3121 8.3797 8.3797 8.6053 8.6053 8.7342 8.7342 8.9941 8.9941 9.5091 9.5091 9.5596 9.5596 10.2438 10.2438 10.2996 10.2996 10.8603 10.8603 11.0983 11.0983 11.8190 11.8190 11.9235 11.9235 12.2564 12.2564 12.3293 12.3293 k = 0.1395 0.3492-0.1287 ( 5330 PWs) bands (ev): -0.8543 -0.8543 -0.5865 -0.5865 4.5764 4.5764 5.1916 5.1916 6.0880 6.0880 6.3499 6.3499 6.5251 6.5251 6.5405 6.5405 7.4068 7.4068 7.8502 7.8502 7.9572 7.9572 8.0262 8.0262 8.1340 8.1340 8.3162 8.3162 8.3766 8.3766 8.6291 8.6291 8.7681 8.7681 8.9758 8.9758 9.5421 9.5421 9.5502 9.5502 10.2495 10.2495 10.2971 10.2971 10.8534 10.8534 11.1495 11.1495 11.8401 11.8401 11.9005 11.9005 12.2738 12.2738 12.3323 12.3323 k = 0.1279 0.3492-0.1287 ( 5336 PWs) bands (ev): -0.8724 -0.8724 -0.5991 -0.5991 4.5428 4.5428 5.1842 5.1842 6.0985 6.0985 6.3865 6.3865 6.5143 6.5143 6.5703 6.5703 7.3842 7.3842 7.8349 7.8349 7.9740 7.9740 8.0171 8.0171 8.1279 8.1279 8.3196 8.3196 8.3745 8.3745 8.6472 8.6472 8.8060 8.8060 8.9571 8.9571 9.5234 9.5234 9.5926 9.5926 10.2556 10.2556 10.2969 10.2969 10.8455 10.8455 11.1987 11.1987 11.7627 11.7627 11.9718 11.9718 12.2878 12.2878 12.3416 12.3416 k = 0.1163 0.3492-0.1287 ( 5340 PWs) bands (ev): -0.8892 -0.8892 -0.6107 -0.6107 4.5116 4.5116 5.1760 5.1760 6.1061 6.1061 6.4127 6.4127 6.4993 6.4993 6.6169 6.6169 7.3631 7.3631 7.8199 7.8199 7.9865 7.9865 8.0124 8.0124 8.1222 8.1222 8.3225 8.3225 8.3732 8.3732 8.6604 8.6604 8.8465 8.8465 8.9384 8.9384 9.5023 9.5023 9.6374 9.6374 10.2609 10.2609 10.3002 10.3002 10.8367 10.8367 11.2453 11.2453 11.6812 11.6812 12.0443 12.0443 12.2967 12.2967 12.3568 12.3568 k = 0.1047 0.3492-0.1287 ( 5340 PWs) bands (ev): -0.9045 -0.9045 -0.6214 -0.6214 4.4831 4.4831 5.1674 5.1674 6.1114 6.1114 6.4187 6.4187 6.5032 6.5032 6.6655 6.6655 7.3435 7.3435 7.8058 7.8058 7.9866 7.9866 8.0201 8.0201 8.1170 8.1170 8.3253 8.3253 8.3722 8.3722 8.6695 8.6695 8.8871 8.8871 8.9209 8.9209 9.4801 9.4801 9.6838 9.6838 10.2642 10.2642 10.3076 10.3076 10.8272 10.8272 11.2891 11.2891 11.5993 11.5993 12.1144 12.1144 12.3036 12.3036 12.3744 12.3744 k = 0.0930 0.3492-0.1287 ( 5338 PWs) bands (ev): -0.9183 -0.9183 -0.6311 -0.6311 4.4573 4.4573 5.1588 5.1588 6.1149 6.1149 6.4076 6.4076 6.5228 6.5228 6.7144 6.7144 7.3256 7.3256 7.7928 7.7928 7.9797 7.9797 8.0347 8.0347 8.1120 8.1120 8.3279 8.3279 8.3712 8.3712 8.6757 8.6757 8.8979 8.8979 8.9335 8.9335 9.4576 9.4576 9.7311 9.7311 10.2657 10.2657 10.3183 10.3183 10.8173 10.8173 11.3295 11.3295 11.5185 11.5185 12.1786 12.1786 12.3130 12.3130 12.3915 12.3915 k = 0.0814 0.3492-0.1287 ( 5340 PWs) bands (ev): -0.9306 -0.9306 -0.6397 -0.6397 4.4344 4.4344 5.1506 5.1506 6.1172 6.1172 6.3916 6.3916 6.5463 6.5463 6.7620 6.7620 7.3093 7.3093 7.7810 7.7810 7.9719 7.9719 8.0498 8.0498 8.1075 8.1075 8.3305 8.3305 8.3701 8.3701 8.6796 8.6796 8.8812 8.8812 8.9727 8.9727 9.4353 9.4353 9.7788 9.7788 10.2663 10.2663 10.3308 10.3308 10.8073 10.8073 11.3660 11.3660 11.4400 11.4400 12.2296 12.2296 12.3328 12.3328 12.4068 12.4068 k = 0.0698 0.3492-0.1287 ( 5334 PWs) bands (ev): -0.9414 -0.9414 -0.6472 -0.6472 4.4143 4.4143 5.1430 5.1430 6.1186 6.1186 6.3756 6.3756 6.5686 6.5686 6.8069 6.8069 7.2948 7.2948 7.7707 7.7707 7.9646 7.9646 8.0640 8.0640 8.1036 8.1036 8.3329 8.3329 8.3688 8.3688 8.6818 8.6818 8.8644 8.8644 9.0104 9.0104 9.4143 9.4143 9.8258 9.8258 10.2666 10.2666 10.3436 10.3436 10.7978 10.7978 11.3634 11.3634 11.4002 11.4002 12.2583 12.2583 12.3713 12.3713 12.4201 12.4201 k = 0.0581 0.3492-0.1287 ( 5338 PWs) bands (ev): -0.9506 -0.9506 -0.6536 -0.6536 4.3973 4.3973 5.1362 5.1362 6.1194 6.1194 6.3611 6.3611 6.5883 6.5883 6.8479 6.8479 7.2821 7.2821 7.7618 7.7618 7.9581 7.9581 8.0763 8.0763 8.1005 8.1005 8.3351 8.3351 8.3675 8.3675 8.6829 8.6829 8.8488 8.8488 9.0445 9.0445 9.3950 9.3950 9.8711 9.8711 10.2667 10.2667 10.3553 10.3553 10.7897 10.7897 11.2939 11.2939 11.4280 11.4280 12.2705 12.2705 12.4188 12.4188 12.4347 12.4347 k = 0.0465 0.3492-0.1287 ( 5346 PWs) bands (ev): -0.9581 -0.9581 -0.6589 -0.6589 4.3833 4.3833 5.1304 5.1304 6.1197 6.1197 6.3489 6.3489 6.6047 6.6047 6.8838 6.8838 7.2713 7.2713 7.7545 7.7545 7.9526 7.9526 8.0851 8.0851 8.0999 8.0999 8.3368 8.3368 8.3664 8.3664 8.6831 8.6831 8.8350 8.8350 9.0740 9.0740 9.3784 9.3784 9.9131 9.9131 10.2669 10.2669 10.3649 10.3649 10.7837 10.7837 11.2307 11.2307 11.4517 11.4517 12.2759 12.2759 12.4366 12.4366 12.4786 12.4786 k = 0.0349 0.3492-0.1287 ( 5338 PWs) bands (ev): -0.9640 -0.9640 -0.6630 -0.6630 4.3723 4.3723 5.1258 5.1258 6.1199 6.1199 6.3392 6.3392 6.6176 6.6176 6.9132 6.9132 7.2625 7.2625 7.7488 7.7488 7.9481 7.9481 8.0879 8.0879 8.1038 8.1038 8.3378 8.3378 8.3657 8.3657 8.6830 8.6830 8.8236 8.8236 9.0979 9.0979 9.3648 9.3648 9.9500 9.9500 10.2670 10.2670 10.3716 10.3716 10.7804 10.7804 11.1765 11.1765 11.4704 11.4704 12.2787 12.2787 12.4438 12.4438 12.5275 12.5275 k = 0.0233 0.3492-0.1287 ( 5332 PWs) bands (ev): -0.9682 -0.9682 -0.6660 -0.6660 4.3645 4.3645 5.1224 5.1224 6.1199 6.1199 6.3322 6.3322 6.6270 6.6270 6.9353 6.9353 7.2560 7.2560 7.7447 7.7447 7.9449 7.9449 8.0874 8.0874 8.1094 8.1094 8.3383 8.3383 8.3654 8.3654 8.6826 8.6826 8.8151 8.8151 9.1156 9.1156 9.3547 9.3547 9.9792 9.9792 10.2672 10.2672 10.3754 10.3754 10.7796 10.7796 11.1342 11.1342 11.4840 11.4840 12.2802 12.2802 12.4486 12.4486 12.5696 12.5696 k = 0.0116 0.3492-0.1287 ( 5330 PWs) bands (ev): -0.9707 -0.9707 -0.6677 -0.6677 4.3598 4.3598 5.1204 5.1204 6.1199 6.1199 6.3280 6.3280 6.6326 6.6326 6.9489 6.9489 7.2519 7.2519 7.7423 7.7423 7.9429 7.9429 8.0866 8.0866 8.1133 8.1133 8.3384 8.3384 8.3653 8.3653 8.6823 8.6823 8.8098 8.8098 9.1264 9.1264 9.3485 9.3485 9.9982 9.9982 10.2673 10.2673 10.3771 10.3771 10.7801 10.7801 11.1068 11.1068 11.4922 11.4922 12.2810 12.2810 12.4514 12.4514 12.5998 12.5999 k = 0.0000 0.3492-0.1287 ( 5328 PWs) bands (ev): -0.9716 -0.9716 -0.6683 -0.6683 4.3582 4.3582 5.1197 5.1197 6.1199 6.1199 6.3266 6.3266 6.6344 6.6344 6.9535 6.9535 7.2505 7.2505 7.7414 7.7414 7.9423 7.9423 8.0863 8.0863 8.1147 8.1147 8.3384 8.3384 8.3653 8.3653 8.6822 8.6822 8.8080 8.8080 9.1300 9.1300 9.3465 9.3465 10.0048 10.0048 10.2673 10.2673 10.3774 10.3774 10.7806 10.7806 11.0973 11.0973 11.4950 11.4950 12.2812 12.2812 12.4524 12.4524 12.6114 12.6114 k = 0.0000 0.3492-0.1287 ( 5328 PWs) bands (ev): -0.9716 -0.9716 -0.6683 -0.6683 4.3582 4.3582 5.1197 5.1197 6.1199 6.1199 6.3266 6.3266 6.6344 6.6344 6.9535 6.9535 7.2505 7.2505 7.7414 7.7414 7.9423 7.9423 8.0863 8.0863 8.1147 8.1147 8.3384 8.3384 8.3653 8.3653 8.6822 8.6822 8.8080 8.8080 9.1300 9.1300 9.3465 9.3465 10.0048 10.0048 10.2673 10.2673 10.3774 10.3774 10.7806 10.7806 11.0973 11.0973 11.4950 11.4950 12.2812 12.2812 12.4524 12.4524 12.6114 12.6114 k = 0.0000 0.3531-0.1180 ( 5323 PWs) bands (ev): -0.9712 -0.9712 -0.6689 -0.6689 4.3587 4.3587 5.1200 5.1200 6.1158 6.1158 6.3287 6.3287 6.6347 6.6347 6.9532 6.9532 7.2532 7.2532 7.7422 7.7422 7.9427 7.9427 8.0863 8.0863 8.1144 8.1144 8.3359 8.3359 8.3677 8.3677 8.6809 8.6809 8.8093 8.8093 9.1287 9.1287 9.3519 9.3519 10.0024 10.0024 10.2593 10.2593 10.3832 10.3832 10.7817 10.7817 11.0955 11.0955 11.4950 11.4950 12.2792 12.2792 12.4499 12.4499 12.6168 12.6168 k = 0.0000 0.3571-0.1072 ( 5325 PWs) bands (ev): -0.9701 -0.9701 -0.6704 -0.6704 4.3602 4.3602 5.1210 5.1210 6.1042 6.1042 6.3344 6.3344 6.6356 6.6356 6.9522 6.9522 7.2613 7.2613 7.7442 7.7442 7.9439 7.9439 8.0862 8.0862 8.1136 8.1136 8.3298 8.3298 8.3733 8.3733 8.6770 8.6770 8.8133 8.8133 9.1252 9.1252 9.3673 9.3673 9.9952 9.9952 10.2385 10.2385 10.3973 10.3973 10.7849 10.7849 11.0900 11.0900 11.4950 11.4950 12.2732 12.2732 12.4438 12.4438 12.6316 12.6316 k = 0.0000 0.3611-0.0965 ( 5330 PWs) bands (ev): -0.9682 -0.9682 -0.6730 -0.6730 4.3628 4.3628 5.1224 5.1224 6.0868 6.0868 6.3423 6.3423 6.6370 6.6370 6.9506 6.9506 7.2746 7.2746 7.7477 7.7477 7.9460 7.9460 8.0860 8.0860 8.1124 8.1124 8.3220 8.3220 8.3802 8.3802 8.6710 8.6710 8.8202 8.8202 9.1207 9.1207 9.3911 9.3911 9.9833 9.9833 10.2098 10.2098 10.4150 10.4150 10.7903 10.7903 11.0809 11.0809 11.4951 11.4951 12.2628 12.2628 12.4368 12.4368 12.6533 12.6533 k = 0.0000 0.3650-0.0857 ( 5330 PWs) bands (ev): -0.9656 -0.9656 -0.6766 -0.6766 4.3665 4.3665 5.1243 5.1243 6.0654 6.0654 6.3510 6.3510 6.6390 6.6390 6.9483 6.9483 7.2927 7.2927 7.7524 7.7524 7.9488 7.9488 8.0857 8.0857 8.1109 8.1109 8.3133 8.3133 8.3877 8.3877 8.6631 8.6631 8.8298 8.8298 9.1163 9.1163 9.4215 9.4215 9.9668 9.9668 10.1755 10.1755 10.4340 10.4340 10.7981 10.7981 11.0683 11.0683 11.4953 11.4953 12.2479 12.2479 12.4307 12.4307 12.6798 12.6798 k = 0.0000 0.3690-0.0750 ( 5338 PWs) bands (ev): -0.9624 -0.9624 -0.6812 -0.6812 4.3713 4.3713 5.1263 5.1263 6.0416 6.0416 6.3592 6.3592 6.6415 6.6415 6.9454 6.9454 7.3152 7.3152 7.7582 7.7582 7.9524 7.9524 8.0853 8.0853 8.1091 8.1091 8.3037 8.3037 8.3956 8.3956 8.6542 8.6542 8.8424 8.8424 9.1128 9.1128 9.4569 9.4569 9.9459 9.9459 10.1367 10.1367 10.4533 10.4533 10.8081 10.8081 11.0523 11.0523 11.4956 11.4956 12.2289 12.2289 12.4264 12.4264 12.7094 12.7094 k = 0.0000 0.3730-0.0642 ( 5344 PWs) bands (ev): -0.9585 -0.9585 -0.6867 -0.6867 4.3774 4.3774 5.1282 5.1282 6.0168 6.0168 6.3665 6.3665 6.6446 6.6446 6.9419 6.9419 7.3415 7.3415 7.7651 7.7651 7.9568 7.9568 8.0846 8.0846 8.1072 8.1072 8.2933 8.2933 8.4039 8.4039 8.6450 8.6450 8.8577 8.8577 9.1105 9.1105 9.4959 9.4959 9.9210 9.9210 10.0939 10.0939 10.4729 10.4729 10.8205 10.8205 11.0330 11.0330 11.4963 11.4963 12.2062 12.2062 12.4238 12.4238 12.7282 12.7283 k = 0.0000 0.3769-0.0534 ( 5351 PWs) bands (ev): -0.9542 -0.9542 -0.6930 -0.6930 4.3848 4.3848 5.1296 5.1296 5.9920 5.9920 6.3722 6.3722 6.6482 6.6482 6.9377 6.9377 7.3711 7.3711 7.7730 7.7730 7.9619 7.9619 8.0836 8.0836 8.1054 8.1054 8.2821 8.2821 8.4126 8.4126 8.6361 8.6361 8.8759 8.8759 9.1096 9.1096 9.5373 9.5373 9.8922 9.8922 10.0475 10.0475 10.4927 10.4927 10.8353 10.8353 11.0107 11.0107 11.4973 11.4973 12.1807 12.1807 12.4222 12.4222 12.7198 12.7199 k = 0.0000 0.3809-0.0427 ( 5354 PWs) bands (ev): -0.9493 -0.9493 -0.7000 -0.7000 4.3935 4.3935 5.1302 5.1302 5.9681 5.9681 6.3764 6.3764 6.6523 6.6523 6.9329 6.9329 7.4033 7.4033 7.7815 7.7815 7.9676 7.9676 8.0822 8.0822 8.1040 8.1040 8.2700 8.2700 8.4219 8.4219 8.6284 8.6284 8.8968 8.8968 9.1098 9.1098 9.5804 9.5804 9.8600 9.8600 9.9976 9.9976 10.5126 10.5126 10.8524 10.8524 10.9856 10.9856 11.4989 11.4989 12.1529 12.1529 12.4209 12.4209 12.7095 12.7095 k = 0.0000 0.3849-0.0319 ( 5349 PWs) bands (ev): -0.9442 -0.9442 -0.7076 -0.7076 4.4038 4.4038 5.1297 5.1297 5.9460 5.9460 6.3788 6.3788 6.6569 6.6569 6.9274 6.9274 7.4375 7.4375 7.7904 7.7904 7.9741 7.9741 8.0805 8.0805 8.1030 8.1030 8.2568 8.2568 8.4320 8.4320 8.6222 8.6222 8.9202 8.9202 9.1111 9.1111 9.6242 9.6242 9.8248 9.8248 9.9446 9.9446 10.5329 10.5329 10.8718 10.8718 10.9581 10.9581 11.5011 11.5011 12.1233 12.1233 12.4192 12.4192 12.6972 12.6972 k = 0.0000 0.3888-0.0212 ( 5346 PWs) bands (ev): -0.9389 -0.9389 -0.7157 -0.7157 4.4155 4.4155 5.1278 5.1278 5.9263 5.9263 6.3794 6.3794 6.6620 6.6620 6.9214 6.9214 7.4730 7.4730 7.7997 7.7997 7.9812 7.9812 8.0783 8.0783 8.1025 8.1025 8.2426 8.2426 8.4432 8.4432 8.6181 8.6181 8.9460 8.9460 9.1132 9.1132 9.6680 9.6680 9.7869 9.7869 9.8889 9.8889 10.5535 10.5535 10.8926 10.8926 10.9290 10.9290 11.5041 11.5041 12.0923 12.0923 12.4164 12.4164 12.6830 12.6830 k = 0.0000 0.3928-0.0104 ( 5341 PWs) bands (ev): -0.9336 -0.9336 -0.7240 -0.7240 4.4288 4.4288 5.1240 5.1240 5.9096 5.9096 6.3785 6.3785 6.6675 6.6675 6.9147 6.9147 7.5090 7.5090 7.8089 7.8089 7.9888 7.9888 8.0759 8.0759 8.1025 8.1025 8.2274 8.2274 8.4557 8.4557 8.6163 8.6163 8.9741 8.9741 9.1160 9.1160 9.7105 9.7105 9.7471 9.7471 9.8310 9.8310 10.5742 10.5742 10.8928 10.8928 10.9210 10.9210 11.5079 11.5079 12.0600 12.0600 12.4121 12.4121 12.6667 12.6667 k = 0.0000 0.3968 0.0004 ( 5337 PWs) bands (ev): -0.9287 -0.9287 -0.7323 -0.7323 4.4436 4.4436 5.1184 5.1184 5.8964 5.8964 6.3759 6.3759 6.6734 6.6734 6.9075 6.9075 7.5451 7.5451 7.8178 7.8178 7.9969 7.9969 8.0733 8.0733 8.1030 8.1030 8.2112 8.2112 8.4698 8.4698 8.6169 8.6169 9.0042 9.0042 9.1194 9.1194 9.7037 9.7037 9.7509 9.7509 9.7738 9.7738 10.5948 10.5948 10.8613 10.8613 10.9455 10.9455 11.5126 11.5126 12.0267 12.0267 12.4060 12.4060 12.6482 12.6482 k = 0.0000 0.4007 0.0111 ( 5334 PWs) bands (ev): -0.9244 -0.9244 -0.7402 -0.7402 4.4600 4.4600 5.1107 5.1107 5.8867 5.8867 6.3719 6.3719 6.6796 6.6796 6.8997 6.8997 7.5805 7.5805 7.8260 7.8260 8.0054 8.0054 8.0706 8.0706 8.1038 8.1038 8.1941 8.1941 8.4858 8.4858 8.6201 8.6201 9.0357 9.0357 9.1234 9.1234 9.6599 9.6599 9.7092 9.7092 9.7943 9.7943 10.6146 10.6146 10.8279 10.8279 10.9732 10.9732 11.5183 11.5183 11.9924 11.9924 12.3977 12.3977 12.6274 12.6274 k = 0.5000 0.2976 0.2686 ( 5346 PWs) bands (ev): -0.1856 -0.1856 -0.1837 -0.1837 4.6572 4.6572 4.6612 4.6612 6.2783 6.2783 6.2874 6.2874 6.4963 6.4963 6.4981 6.4981 7.7739 7.7739 7.7882 7.7882 8.0229 8.0229 8.0513 8.0513 8.2809 8.2809 8.2950 8.2950 8.5218 8.5218 8.5257 8.5257 8.8500 8.8500 8.8806 8.8806 9.0912 9.0912 9.1034 9.1034 9.9529 9.9529 9.9558 9.9558 10.6116 10.6116 10.6263 10.6263 11.4530 11.4530 11.4555 11.4555 11.8560 11.8560 11.9084 11.9084 k = 0.5000 0.2861 0.2686 ( 5348 PWs) bands (ev): -0.1891 -0.1891 -0.1869 -0.1869 4.6567 4.6567 4.6613 4.6613 6.2799 6.2799 6.2886 6.2886 6.5050 6.5050 6.5059 6.5059 7.7769 7.7769 7.7922 7.7922 8.0266 8.0266 8.0525 8.0525 8.2746 8.2746 8.2927 8.2927 8.5213 8.5213 8.5282 8.5282 8.8530 8.8530 8.8851 8.8851 9.0954 9.0954 9.1097 9.1097 9.9485 9.9485 9.9535 9.9535 10.5826 10.5826 10.5965 10.5965 11.4201 11.4201 11.4204 11.4204 11.8958 11.8958 11.9443 11.9443 k = 0.5000 0.2747 0.2686 ( 5346 PWs) bands (ev): -0.1932 -0.1932 -0.1907 -0.1907 4.6560 4.6560 4.6611 4.6611 6.2811 6.2811 6.2892 6.2892 6.5157 6.5157 6.5159 6.5159 7.7805 7.7805 7.7970 7.7970 8.0293 8.0293 8.0525 8.0525 8.2688 8.2688 8.2911 8.2911 8.5210 8.5210 8.5307 8.5307 8.8564 8.8564 8.8897 8.8897 9.0998 9.0998 9.1164 9.1164 9.9448 9.9448 9.9519 9.9519 10.5527 10.5527 10.5655 10.5655 11.3710 11.3710 11.3733 11.3733 11.9527 11.9527 11.9968 11.9968 k = 0.5000 0.2633 0.2686 ( 5348 PWs) bands (ev): -0.1978 -0.1978 -0.1950 -0.1950 4.6552 4.6552 4.6608 4.6608 6.2822 6.2822 6.2896 6.2896 6.5274 6.5274 6.5286 6.5286 7.7848 7.7848 7.8023 7.8023 8.0310 8.0310 8.0514 8.0514 8.2635 8.2635 8.2900 8.2900 8.5208 8.5208 8.5332 8.5332 8.8601 8.8601 8.8943 8.8943 9.1045 9.1045 9.1237 9.1237 9.9416 9.9416 9.9508 9.9508 10.5221 10.5221 10.5335 10.5335 11.3148 11.3148 11.3193 11.3193 12.0190 12.0190 12.0593 12.0593 k = 0.5000 0.2518 0.2686 ( 5352 PWs) bands (ev): -0.2029 -0.2029 -0.1998 -0.1998 4.6542 4.6542 4.6602 4.6602 6.2835 6.2835 6.2902 6.2902 6.5403 6.5403 6.5426 6.5426 7.7895 7.7895 7.8082 7.8082 8.0318 8.0318 8.0494 8.0494 8.2589 8.2589 8.2895 8.2895 8.5206 8.5206 8.5355 8.5355 8.8641 8.8641 8.8990 8.8990 9.1096 9.1096 9.1314 9.1314 9.9390 9.9390 9.9504 9.9504 10.4910 10.4910 10.5008 10.5008 11.2560 11.2560 11.2619 11.2619 12.0907 12.0907 12.1278 12.1278 k = 0.5000 0.2404 0.2686 ( 5344 PWs) bands (ev): -0.2084 -0.2084 -0.2051 -0.2051 4.6530 4.6530 4.6593 4.6593 6.2853 6.2853 6.2912 6.2912 6.5542 6.5542 6.5575 6.5575 7.7946 7.7946 7.8145 7.8145 8.0316 8.0316 8.0467 8.0467 8.2549 8.2549 8.2897 8.2897 8.5206 8.5206 8.5378 8.5378 8.8683 8.8683 8.9037 8.9037 9.1150 9.1150 9.1397 9.1397 9.9370 9.9370 9.9503 9.9503 10.4599 10.4599 10.4679 10.4679 11.1966 11.1966 11.2035 11.2035 12.1656 12.1656 12.2000 12.2000 k = 0.5000 0.2289 0.2686 ( 5346 PWs) bands (ev): -0.2143 -0.2143 -0.2108 -0.2108 4.6516 4.6516 4.6582 4.6582 6.2876 6.2876 6.2927 6.2927 6.5688 6.5688 6.5731 6.5731 7.8000 7.8000 7.8210 7.8210 8.0307 8.0307 8.0433 8.0433 8.2516 8.2516 8.2903 8.2903 8.5205 8.5205 8.5398 8.5398 8.8727 8.8727 8.9082 8.9082 9.1208 9.1208 9.1484 9.1484 9.9353 9.9353 9.9506 9.9506 10.4291 10.4291 10.4350 10.4350 11.1377 11.1377 11.1453 11.1453 12.2427 12.2427 12.2747 12.2747 k = 0.5000 0.2175 0.2686 ( 5340 PWs) bands (ev): -0.2204 -0.2204 -0.2168 -0.2168 4.6500 4.6500 4.6569 4.6569 6.2906 6.2906 6.2949 6.2949 6.5840 6.5840 6.5891 6.5891 7.8056 7.8056 7.8277 7.8277 8.0292 8.0292 8.0395 8.0395 8.2489 8.2489 8.2913 8.2913 8.5205 8.5205 8.5415 8.5415 8.8773 8.8773 8.9126 8.9126 9.1269 9.1269 9.1577 9.1577 9.9338 9.9338 9.9509 9.9509 10.3990 10.3990 10.4026 10.4026 11.0800 11.0800 11.0880 11.0880 12.3210 12.3210 12.3510 12.3510 k = 0.5000 0.2060 0.2686 ( 5340 PWs) bands (ev): -0.2267 -0.2267 -0.2230 -0.2230 4.6482 4.6482 4.6552 4.6552 6.2941 6.2941 6.2977 6.2977 6.5994 6.5994 6.6054 6.6054 7.8114 7.8114 7.8345 7.8345 8.0273 8.0273 8.0354 8.0354 8.2467 8.2467 8.2927 8.2927 8.5205 8.5205 8.5430 8.5430 8.8818 8.8818 8.9167 8.9167 9.1332 9.1332 9.1675 9.1675 9.9323 9.9323 9.9509 9.9509 10.3700 10.3700 10.3711 10.3711 11.0239 11.0239 11.0321 11.0321 12.4003 12.4003 12.4285 12.4285 k = 0.5000 0.1946 0.2686 ( 5338 PWs) bands (ev): -0.2332 -0.2332 -0.2294 -0.2294 4.6463 4.6463 4.6534 4.6534 6.2983 6.2983 6.3011 6.3011 6.6150 6.6150 6.6217 6.6217 7.8172 7.8172 7.8412 7.8412 8.0252 8.0252 8.0314 8.0314 8.2451 8.2451 8.2943 8.2943 8.5204 8.5204 8.5441 8.5441 8.8864 8.8864 8.9205 8.9205 9.1399 9.1399 9.1776 9.1776 9.9305 9.9305 9.9503 9.9503 10.3413 10.3413 10.3427 10.3427 10.9698 10.9698 10.9779 10.9779 12.4802 12.4802 12.5067 12.5067 k = 0.5000 0.1831 0.2686 ( 5344 PWs) bands (ev): -0.2398 -0.2398 -0.2360 -0.2360 4.6443 4.6443 4.6513 4.6513 6.3029 6.3029 6.3050 6.3050 6.6306 6.6306 6.6378 6.6378 7.8231 7.8231 7.8478 7.8478 8.0231 8.0231 8.0274 8.0274 8.2440 8.2440 8.2961 8.2961 8.5203 8.5203 8.5449 8.5449 8.8908 8.8908 8.9240 8.9240 9.1467 9.1467 9.1878 9.1878 9.9280 9.9280 9.9486 9.9486 10.3135 10.3135 10.3173 10.3173 10.9177 10.9177 10.9257 10.9257 12.5604 12.5604 12.5855 12.5855 k = 0.5000 0.1717 0.2686 ( 5340 PWs) bands (ev): -0.2464 -0.2464 -0.2426 -0.2426 4.6421 4.6421 4.6491 4.6491 6.3079 6.3079 6.3093 6.3093 6.6461 6.6461 6.6538 6.6538 7.8291 7.8291 7.8543 7.8543 8.0212 8.0212 8.0237 8.0237 8.2434 8.2434 8.2980 8.2980 8.5201 8.5201 8.5453 8.5453 8.8951 8.8951 8.9271 8.9271 9.1536 9.1536 9.1982 9.1982 9.9247 9.9247 9.9455 9.9455 10.2885 10.2885 10.2945 10.2945 10.8678 10.8678 10.8757 10.8757 12.6407 12.6407 12.6644 12.6644 k = 0.5000 0.1602 0.2686 ( 5340 PWs) bands (ev): -0.2529 -0.2529 -0.2491 -0.2491 4.6399 4.6399 4.6468 4.6468 6.3132 6.3132 6.3140 6.3140 6.6612 6.6612 6.6694 6.6694 7.8351 7.8351 7.8607 7.8607 8.0194 8.0194 8.0204 8.0204 8.2432 8.2432 8.3000 8.3000 8.5199 8.5199 8.5452 8.5452 8.8991 8.8991 8.9298 8.9298 9.1606 9.1606 9.2083 9.2083 9.9203 9.9203 9.9407 9.9407 10.2666 10.2666 10.2745 10.2745 10.8204 10.8204 10.8280 10.8280 12.7209 12.7209 12.7433 12.7433 k = 0.5000 0.1488 0.2686 ( 5340 PWs) bands (ev): -0.2592 -0.2592 -0.2556 -0.2556 4.6376 4.6376 4.6443 4.6443 6.3186 6.3186 6.3188 6.3188 6.6760 6.6760 6.6844 6.6844 7.8413 7.8413 7.8670 7.8670 8.0175 8.0175 8.0180 8.0180 8.2434 8.2434 8.3019 8.3019 8.5196 8.5196 8.5448 8.5448 8.9029 8.9029 8.9322 8.9322 9.1674 9.1674 9.2180 9.2180 9.9148 9.9148 9.9339 9.9339 10.2483 10.2483 10.2575 10.2575 10.7754 10.7754 10.7827 10.7827 12.8006 12.8006 12.8218 12.8218 k = 0.5000 0.1374 0.2686 ( 5338 PWs) bands (ev): -0.2654 -0.2654 -0.2619 -0.2619 4.6354 4.6354 4.6417 4.6417 6.3238 6.3238 6.3240 6.3240 6.6903 6.6903 6.6988 6.6988 7.8476 7.8476 7.8732 7.8732 8.0149 8.0149 8.0168 8.0168 8.2442 8.2442 8.3038 8.3038 8.5192 8.5192 8.5440 8.5440 8.9065 8.9065 8.9341 8.9341 9.1740 9.1740 9.2271 9.2271 9.9083 9.9083 9.9252 9.9252 10.2336 10.2336 10.2435 10.2435 10.7330 10.7330 10.7399 10.7399 12.8797 12.8797 12.8998 12.8998 k = 0.5000 0.1259 0.2686 ( 5342 PWs) bands (ev): -0.2713 -0.2713 -0.2679 -0.2679 4.6332 4.6332 4.6392 4.6392 6.3287 6.3287 6.3293 6.3293 6.7039 6.7039 6.7123 6.7123 7.8541 7.8541 7.8793 7.8793 8.0128 8.0128 8.0159 8.0159 8.2455 8.2455 8.3056 8.3056 8.5187 8.5187 8.5427 8.5427 8.9097 8.9097 8.9357 8.9357 9.1802 9.1802 9.2351 9.2351 9.9010 9.9010 9.9152 9.9152 10.2224 10.2224 10.2324 10.2324 10.6934 10.6934 10.6998 10.6998 12.9578 12.9578 12.9767 12.9767 k = 0.5000 0.1145 0.2686 ( 5340 PWs) bands (ev): -0.2769 -0.2769 -0.2737 -0.2737 4.6310 4.6310 4.6367 4.6367 6.3336 6.3336 6.3345 6.3345 6.7167 6.7167 6.7250 6.7250 7.8609 7.8609 7.8854 7.8854 8.0109 8.0109 8.0150 8.0150 8.2473 8.2473 8.3072 8.3072 8.5181 8.5181 8.5410 8.5410 8.9127 8.9127 8.9369 8.9369 9.1860 9.1860 9.2418 9.2418 9.8933 9.8933 9.9042 9.9042 10.2142 10.2142 10.2238 10.2238 10.6566 10.6566 10.6626 10.6626 13.0344 13.0344 13.0523 13.0523 k = 0.5000 0.1030 0.2686 ( 5338 PWs) bands (ev): -0.2821 -0.2821 -0.2792 -0.2792 4.6290 4.6290 4.6342 4.6342 6.3382 6.3382 6.3393 6.3393 6.7287 6.7287 6.7366 6.7366 7.8680 7.8680 7.8916 7.8916 8.0093 8.0093 8.0142 8.0142 8.2498 8.2498 8.3086 8.3086 8.5174 8.5174 8.5389 8.5389 8.9154 8.9154 8.9377 8.9377 9.1912 9.1912 9.2470 9.2470 9.8856 9.8856 9.8932 9.8932 10.2085 10.2085 10.2172 10.2172 10.6228 10.6228 10.6282 10.6282 13.1092 13.1092 13.1260 13.1260 k = 0.5000 0.0916 0.2686 ( 5346 PWs) bands (ev): -0.2869 -0.2869 -0.2842 -0.2842 4.6271 4.6271 4.6319 4.6319 6.3426 6.3426 6.3439 6.3439 6.7396 6.7396 6.7471 6.7471 7.8753 7.8753 7.8977 7.8977 8.0079 8.0079 8.0132 8.0132 8.2528 8.2528 8.3096 8.3096 8.5167 8.5167 8.5365 8.5365 8.9179 8.9179 8.9382 8.9382 9.1959 9.1959 9.2505 9.2505 9.8783 9.8783 9.8828 9.8828 10.2047 10.2047 10.2124 10.2124 10.5921 10.5921 10.5969 10.5969 13.1815 13.1815 13.1973 13.1973 k = 0.5000 0.0801 0.2686 ( 5342 PWs) bands (ev): -0.2912 -0.2912 -0.2888 -0.2888 4.6254 4.6254 4.6297 4.6297 6.3467 6.3467 6.3479 6.3479 6.7495 6.7495 6.7563 6.7563 7.8829 7.8829 7.9037 7.9037 8.0066 8.0066 8.0120 8.0120 8.2566 8.2566 8.3101 8.3101 8.5161 8.5161 8.5338 8.5338 8.9202 8.9202 8.9385 8.9385 9.2002 9.2002 9.2523 9.2523 9.8717 9.8717 9.8735 9.8735 10.2021 10.2021 10.2088 10.2088 10.5646 10.5646 10.5688 10.5688 13.2506 13.2506 13.2652 13.2652 k = 0.5000 0.0687 0.2686 ( 5338 PWs) bands (ev): -0.2950 -0.2950 -0.2929 -0.2929 4.6239 4.6239 4.6276 4.6276 6.3503 6.3503 6.3516 6.3516 6.7582 6.7582 6.7643 6.7643 7.8906 7.8906 7.9095 7.9095 8.0053 8.0053 8.0105 8.0105 8.2609 8.2609 8.3101 8.3101 8.5154 8.5154 8.5309 8.5309 8.9224 8.9224 8.9384 8.9384 9.2042 9.2042 9.2522 9.2522 9.8657 9.8657 9.8661 9.8661 10.2004 10.2004 10.2060 10.2060 10.5405 10.5405 10.5441 10.5441 13.3156 13.3156 13.3290 13.3290 k = 0.5000 0.0572 0.2686 ( 5344 PWs) bands (ev): -0.2983 -0.2983 -0.2965 -0.2965 4.6227 4.6227 4.6258 4.6258 6.3535 6.3535 6.3547 6.3547 6.7657 6.7657 6.7710 6.7710 7.8982 7.8982 7.9149 7.9149 8.0040 8.0040 8.0088 8.0088 8.2659 8.2659 8.3094 8.3094 8.5149 8.5149 8.5279 8.5279 8.9244 8.9244 8.9380 8.9380 9.2079 9.2079 9.2506 9.2506 9.8597 9.8597 9.8616 9.8616 10.1993 10.1993 10.2038 10.2038 10.5199 10.5199 10.5229 10.5229 13.3755 13.3755 13.3874 13.3874 k = 0.5000 0.0458 0.2686 ( 5352 PWs) bands (ev): -0.3009 -0.3009 -0.2995 -0.2995 4.6217 4.6217 4.6242 4.6242 6.3562 6.3562 6.3572 6.3572 6.7720 6.7720 6.7764 6.7764 7.9055 7.9055 7.9196 7.9196 8.0028 8.0028 8.0068 8.0068 8.2713 8.2713 8.3079 8.3079 8.5145 8.5145 8.5250 8.5250 8.9263 8.9263 8.9374 8.9374 9.2115 9.2115 9.2475 9.2475 9.8554 9.8554 9.8579 9.8579 10.1986 10.1986 10.2021 10.2021 10.5029 10.5029 10.5053 10.5053 13.4288 13.4288 13.4390 13.4390 k = 0.5000 0.0343 0.2686 ( 5348 PWs) bands (ev): -0.3030 -0.3030 -0.3019 -0.3019 4.6210 4.6210 4.6229 4.6229 6.3584 6.3584 6.3592 6.3592 6.7771 6.7771 6.7804 6.7804 7.9122 7.9122 7.9233 7.9233 8.0018 8.0018 8.0048 8.0048 8.2769 8.2769 8.3056 8.3056 8.5143 8.5143 8.5222 8.5222 8.9281 8.9281 8.9366 8.9366 9.2154 9.2154 9.2435 9.2435 9.8526 9.8526 9.8552 9.8552 10.1981 10.1981 10.2006 10.2006 10.4897 10.4897 10.4915 10.4915 13.4740 13.4740 13.4822 13.4822 k = 0.5000 0.0229 0.2686 ( 5344 PWs) bands (ev): -0.3044 -0.3044 -0.3037 -0.3037 4.6205 4.6205 4.6218 4.6218 6.3600 6.3600 6.3605 6.3605 6.7809 6.7809 6.7831 6.7831 7.9180 7.9180 7.9257 7.9257 8.0010 8.0010 8.0030 8.0030 8.2827 8.2827 8.3024 8.3024 8.5145 8.5145 8.5198 8.5198 8.9298 8.9298 8.9356 8.9356 9.2195 9.2195 9.2388 9.2388 9.8511 9.8511 9.8531 9.8531 10.1978 10.1978 10.1995 10.1995 10.4803 10.4803 10.4815 10.4815 13.5091 13.5091 13.5149 13.5149 k = 0.5000 0.0114 0.2686 ( 5344 PWs) bands (ev): -0.3052 -0.3052 -0.3048 -0.3048 4.6204 4.6204 4.6211 4.6211 6.3610 6.3610 6.3613 6.3613 6.7834 6.7834 6.7845 6.7845 7.9225 7.9225 7.9264 7.9264 8.0005 8.0005 8.0015 8.0015 8.2884 8.2884 8.2984 8.2984 8.5152 8.5152 8.5178 8.5178 8.9315 8.9315 8.9343 8.9343 9.2240 9.2240 9.2338 9.2338 9.8506 9.8506 9.8517 9.8517 10.1978 10.1978 10.1986 10.1986 10.4747 10.4747 10.4753 10.4753 13.5320 13.5320 13.5350 13.5350 k = 0.5000-0.0000 0.2686 ( 5340 PWs) bands (ev): -0.3053 -0.3053 -0.3053 -0.3053 4.6206 4.6206 4.6206 4.6206 6.3615 6.3615 6.3615 6.3615 6.7846 6.7846 6.7846 6.7846 7.9253 7.9253 7.9253 7.9253 8.0007 8.0007 8.0007 8.0007 8.2937 8.2937 8.2937 8.2937 8.5162 8.5162 8.5162 8.5162 8.9330 8.9330 8.9330 8.9330 9.2288 9.2288 9.2288 9.2288 9.8508 9.8508 9.8508 9.8508 10.1980 10.1980 10.1980 10.1980 10.4731 10.4731 10.4731 10.4731 13.5409 13.5409 13.5409 13.5409 k = 0.5000-0.0000 0.2686 ( 5340 PWs) bands (ev): -0.3053 -0.3053 -0.3053 -0.3053 4.6206 4.6206 4.6206 4.6206 6.3615 6.3615 6.3615 6.3615 6.7846 6.7846 6.7846 6.7846 7.9253 7.9253 7.9253 7.9253 8.0007 8.0007 8.0007 8.0007 8.2937 8.2937 8.2937 8.2937 8.5162 8.5162 8.5162 8.5162 8.9330 8.9330 8.9330 8.9330 9.2288 9.2288 9.2288 9.2288 9.8508 9.8508 9.8508 9.8508 10.1980 10.1980 10.1980 10.1980 10.4731 10.4731 10.4731 10.4731 13.5409 13.5409 13.5409 13.5409 k = 0.5000-0.0000 0.2569 ( 5340 PWs) bands (ev): -0.3054 -0.3054 -0.3053 -0.3053 4.6205 4.6205 4.6207 4.6207 6.3607 6.3607 6.3610 6.3610 6.7842 6.7842 6.7846 6.7846 7.9223 7.9223 7.9233 7.9233 8.0031 8.0031 8.0038 8.0038 8.2927 8.2927 8.2955 8.2955 8.5161 8.5161 8.5168 8.5168 8.9325 8.9325 8.9328 8.9328 9.2287 9.2287 9.2294 9.2294 9.8499 9.8499 9.8514 9.8514 10.1965 10.1965 10.1980 10.1980 10.4739 10.4739 10.4754 10.4754 13.5410 13.5410 13.5423 13.5423 k = 0.5000-0.0000 0.2453 ( 5342 PWs) bands (ev): -0.3054 -0.3054 -0.3053 -0.3053 4.6205 4.6205 4.6208 4.6208 6.3588 6.3588 6.3594 6.3594 6.7835 6.7835 6.7843 6.7843 7.9152 7.9152 7.9170 7.9170 8.0101 8.0101 8.0111 8.0111 8.2927 8.2927 8.2981 8.2981 8.5164 8.5164 8.5177 8.5177 8.9313 8.9313 8.9320 8.9320 9.2289 9.2289 9.2304 9.2304 9.8487 9.8487 9.8516 9.8516 10.1935 10.1935 10.1964 10.1964 10.4779 10.4779 10.4807 10.4807 13.5428 13.5428 13.5454 13.5454 k = 0.5000-0.0000 0.2336 ( 5338 PWs) bands (ev): -0.3054 -0.3054 -0.3053 -0.3053 4.6205 4.6205 4.6209 4.6209 6.3557 6.3557 6.3565 6.3565 6.7825 6.7825 6.7837 6.7837 7.9059 7.9059 7.9080 7.9080 8.0199 8.0199 8.0210 8.0210 8.2936 8.2936 8.3015 8.3015 8.5172 8.5172 8.5191 8.5191 8.9294 8.9294 8.9305 8.9305 9.2297 9.2297 9.2318 9.2318 9.8472 9.8472 9.8513 9.8513 10.1893 10.1893 10.1934 10.1934 10.4848 10.4848 10.4887 10.4887 13.5462 13.5462 13.5501 13.5501 k = 0.5000-0.0000 0.2219 ( 5338 PWs) bands (ev): -0.3055 -0.3055 -0.3054 -0.3054 4.6206 4.6206 4.6211 4.6211 6.3515 6.3515 6.3526 6.3526 6.7812 6.7812 6.7827 6.7827 7.8955 7.8955 7.8977 7.8977 8.0314 8.0314 8.0322 8.0322 8.2953 8.2953 8.3055 8.3055 8.5184 8.5184 8.5208 8.5208 8.9270 8.9270 8.9283 8.9283 9.2308 9.2308 9.2337 9.2337 9.8453 9.8453 9.8506 9.8506 10.1842 10.1842 10.1894 10.1894 10.4942 10.4942 10.4990 10.4990 13.5512 13.5512 13.5563 13.5563 k = 0.5000-0.0000 0.2102 ( 5338 PWs) bands (ev): -0.3055 -0.3055 -0.3054 -0.3054 4.6207 4.6207 4.6212 4.6212 6.3462 6.3462 6.3476 6.3476 6.7797 6.7797 6.7815 6.7815 7.8848 7.8848 7.8870 7.8870 8.0435 8.0435 8.0440 8.0440 8.2978 8.2978 8.3100 8.3100 8.5201 8.5201 8.5229 8.5229 8.9239 8.9239 8.9255 8.9255 9.2325 9.2325 9.2359 9.2359 9.8431 9.8431 9.8494 9.8494 10.1787 10.1787 10.1846 10.1846 10.5059 10.5059 10.5113 10.5113 13.5578 13.5578 13.5641 13.5641 k = 0.5000-0.0000 0.1985 ( 5342 PWs) bands (ev): -0.3056 -0.3056 -0.3054 -0.3054 4.6208 4.6208 4.6214 4.6214 6.3400 6.3400 6.3416 6.3416 6.7781 6.7781 6.7802 6.7802 7.8742 7.8742 7.8762 7.8762 8.0558 8.0558 8.0559 8.0559 8.3009 8.3009 8.3149 8.3149 8.5222 8.5222 8.5253 8.5253 8.9203 8.9203 8.9222 8.9222 9.2346 9.2346 9.2385 9.2385 9.8404 9.8404 9.8476 9.8476 10.1730 10.1730 10.1796 10.1796 10.5193 10.5193 10.5251 10.5251 13.5659 13.5659 13.5732 13.5732 k = 0.5000-0.0000 0.1869 ( 5342 PWs) bands (ev): -0.3056 -0.3056 -0.3055 -0.3055 4.6209 4.6209 4.6216 4.6216 6.3329 6.3329 6.3347 6.3347 6.7764 6.7764 6.7786 6.7786 7.8640 7.8640 7.8658 7.8658 8.0677 8.0677 8.0681 8.0681 8.3047 8.3047 8.3200 8.3200 8.5248 8.5248 8.5280 8.5280 8.9162 8.9162 8.9182 8.9182 9.2371 9.2371 9.2415 9.2415 9.8374 9.8374 9.8452 9.8452 10.1675 10.1675 10.1745 10.1745 10.5341 10.5341 10.5400 10.5400 13.5753 13.5753 13.5837 13.5837 k = 0.5000-0.0000 0.1752 ( 5330 PWs) bands (ev): -0.3057 -0.3057 -0.3055 -0.3055 4.6211 4.6211 4.6219 4.6219 6.3251 6.3251 6.3271 6.3271 6.7747 6.7747 6.7770 6.7770 7.8542 7.8542 7.8557 7.8557 8.0794 8.0794 8.0801 8.0801 8.3090 8.3090 8.3252 8.3252 8.5277 8.5277 8.5310 8.5310 8.9117 8.9117 8.9139 8.9139 9.2401 9.2401 9.2449 9.2449 9.8340 9.8340 9.8421 9.8421 10.1623 10.1623 10.1695 10.1695 10.5498 10.5498 10.5558 10.5558 13.5861 13.5861 13.5954 13.5954 k = 0.5000-0.0000 0.1635 ( 5330 PWs) bands (ev): -0.3057 -0.3057 -0.3056 -0.3056 4.6213 4.6213 4.6221 4.6221 6.3168 6.3168 6.3189 6.3189 6.7729 6.7729 6.7754 6.7754 7.8449 7.8449 7.8462 7.8462 8.0907 8.0907 8.0918 8.0918 8.3135 8.3135 8.3304 8.3304 8.5310 8.5310 8.5342 8.5342 8.9068 8.9068 8.9090 8.9090 9.2435 9.2435 9.2485 9.2485 9.8302 9.8302 9.8385 9.8385 10.1576 10.1576 10.1649 10.1649 10.5663 10.5663 10.5720 10.5720 13.5979 13.5979 13.6080 13.6080 k = 0.5000-0.0000 0.1518 ( 5328 PWs) bands (ev): -0.3058 -0.3058 -0.3056 -0.3056 4.6215 4.6215 4.6224 4.6224 6.3080 6.3080 6.3103 6.3103 6.7713 6.7713 6.7738 6.7738 7.8362 7.8362 7.8372 7.8372 8.1016 8.1016 8.1029 8.1029 8.3183 8.3183 8.3353 8.3353 8.5345 8.5345 8.5376 8.5376 8.9016 8.9016 8.9039 8.9039 9.2472 9.2472 9.2523 9.2523 9.8260 9.8260 9.8343 9.8343 10.1534 10.1534 10.1608 10.1608 10.5831 10.5831 10.5885 10.5885 13.6106 13.6106 13.6214 13.6214 k = 0.5000-0.0000 0.1401 ( 5334 PWs) bands (ev): -0.3059 -0.3059 -0.3057 -0.3057 4.6218 4.6218 4.6227 4.6227 6.2989 6.2989 6.3013 6.3013 6.7698 6.7698 6.7722 6.7722 7.8281 7.8281 7.8289 7.8289 8.1120 8.1120 8.1136 8.1136 8.3232 8.3232 8.3400 8.3400 8.5383 8.5383 8.5411 8.5411 8.8962 8.8962 8.8984 8.8984 9.2512 9.2512 9.2563 9.2563 9.8216 9.8216 9.8297 9.8297 10.1498 10.1498 10.1571 10.1571 10.6000 10.6000 10.6050 10.6050 13.6239 13.6239 13.6353 13.6353 k = 0.5000-0.0000 0.1285 ( 5340 PWs) bands (ev): -0.3059 -0.3059 -0.3058 -0.3058 4.6220 4.6220 4.6229 4.6229 6.2898 6.2898 6.2922 6.2922 6.7684 6.7684 6.7707 6.7707 7.8206 7.8206 7.8211 7.8211 8.1219 8.1219 8.1236 8.1236 8.3282 8.3282 8.3444 8.3444 8.5422 8.5422 8.5447 8.5447 8.8907 8.8907 8.8928 8.8928 9.2554 9.2554 9.2605 9.2605 9.8170 9.8170 9.8248 9.8248 10.1467 10.1467 10.1538 10.1538 10.6167 10.6167 10.6213 10.6213 13.6375 13.6375 13.6493 13.6493 k = 0.5000-0.0000 0.1168 ( 5342 PWs) bands (ev): -0.3060 -0.3060 -0.3058 -0.3058 4.6223 4.6223 4.6232 4.6232 6.2808 6.2808 6.2831 6.2831 6.7671 6.7671 6.7694 6.7694 7.8138 7.8138 7.8141 7.8141 8.1313 8.1313 8.1330 8.1330 8.3330 8.3330 8.3483 8.3483 8.5461 8.5461 8.5483 8.5483 8.8851 8.8851 8.8871 8.8871 9.2596 9.2596 9.2646 9.2646 9.8123 9.8123 9.8196 9.8196 10.1442 10.1442 10.1510 10.1510 10.6330 10.6330 10.6371 10.6371 13.6511 13.6511 13.6631 13.6631 k = 0.5000-0.0000 0.1051 ( 5336 PWs) bands (ev): -0.3061 -0.3061 -0.3059 -0.3059 4.6226 4.6226 4.6235 4.6235 6.2720 6.2720 6.2743 6.2743 6.7660 6.7660 6.7681 6.7681 7.8075 7.8075 7.8077 7.8077 8.1401 8.1401 8.1417 8.1417 8.3376 8.3376 8.3519 8.3519 8.5501 8.5501 8.5520 8.5520 8.8796 8.8796 8.8815 8.8815 9.2640 9.2640 9.2686 9.2686 9.8077 9.8077 9.8144 9.8144 10.1421 10.1421 10.1485 10.1485 10.6486 10.6486 10.6523 10.6523 13.6645 13.6645 13.6765 13.6765 k = 0.5000-0.0000 0.0934 ( 5332 PWs) bands (ev): -0.3061 -0.3061 -0.3060 -0.3060 4.6229 4.6229 4.6237 4.6237 6.2636 6.2636 6.2658 6.2658 6.7651 6.7651 6.7670 6.7670 7.8020 7.8020 7.8020 7.8020 8.1482 8.1482 8.1497 8.1497 8.3420 8.3420 8.3550 8.3550 8.5539 8.5539 8.5555 8.5555 8.8742 8.8742 8.8760 8.8760 9.2682 9.2682 9.2725 9.2725 9.8033 9.8033 9.8093 9.8093 10.1404 10.1404 10.1464 10.1464 10.6633 10.6633 10.6665 10.6665 13.6773 13.6773 13.6891 13.6891 k = 0.5000-0.0000 0.0818 ( 5328 PWs) bands (ev): -0.3062 -0.3062 -0.3060 -0.3060 4.6232 4.6232 4.6239 4.6239 6.2559 6.2559 6.2579 6.2579 6.7644 6.7644 6.7661 6.7661 7.7969 7.7969 7.7970 7.7970 8.1555 8.1555 8.1568 8.1568 8.3461 8.3461 8.3577 8.3577 8.5575 8.5575 8.5589 8.5589 8.8691 8.8691 8.8707 8.8707 9.2723 9.2723 9.2762 9.2762 9.7991 9.7991 9.8044 9.8044 10.1391 10.1391 10.1445 10.1445 10.6769 10.6769 10.6797 10.6797 13.6895 13.6895 13.7008 13.7008 k = 0.5000-0.0000 0.0701 ( 5320 PWs) bands (ev): -0.3062 -0.3062 -0.3061 -0.3061 4.6235 4.6235 4.6241 4.6241 6.2489 6.2489 6.2507 6.2507 6.7638 6.7638 6.7653 6.7653 7.7925 7.7925 7.7927 7.7927 8.1620 8.1620 8.1632 8.1632 8.3499 8.3499 8.3599 8.3599 8.5609 8.5609 8.5620 8.5620 8.8644 8.8644 8.8659 8.8659 9.2761 9.2761 9.2795 9.2795 9.7953 9.7953 9.7999 9.7999 10.1381 10.1381 10.1429 10.1429 10.6892 10.6892 10.6915 10.6915 13.7007 13.7007 13.7113 13.7113 k = 0.5000-0.0000 0.0584 ( 5324 PWs) bands (ev): -0.3062 -0.3062 -0.3061 -0.3061 4.6237 4.6237 4.6243 4.6243 6.2428 6.2428 6.2443 6.2443 6.7633 6.7633 6.7646 6.7646 7.7888 7.7888 7.7889 7.7889 8.1676 8.1676 8.1686 8.1686 8.3532 8.3532 8.3616 8.3616 8.5639 8.5639 8.5648 8.5648 8.8602 8.8602 8.8615 8.8615 9.2795 9.2795 9.2824 9.2824 9.7919 9.7919 9.7958 9.7958 10.1373 10.1373 10.1414 10.1414 10.7000 10.7000 10.7019 10.7019 13.7109 13.7109 13.7205 13.7205 k = 0.5000-0.0000 0.0467 ( 5326 PWs) bands (ev): -0.3063 -0.3063 -0.3062 -0.3062 4.6240 4.6240 4.6244 4.6244 6.2376 6.2376 6.2389 6.2389 6.7630 6.7630 6.7640 6.7640 7.7857 7.7857 7.7859 7.7859 8.1723 8.1723 8.1731 8.1731 8.3561 8.3561 8.3629 8.3629 8.5664 8.5664 8.5671 8.5671 8.8566 8.8566 8.8576 8.8576 9.2825 9.2825 9.2849 9.2849 9.7891 9.7891 9.7922 9.7922 10.1368 10.1368 10.1402 10.1402 10.7091 10.7091 10.7106 10.7106 13.7199 13.7199 13.7283 13.7283 k = 0.5000-0.0000 0.0350 ( 5326 PWs) bands (ev): -0.3063 -0.3063 -0.3062 -0.3062 4.6242 4.6242 4.6245 4.6245 6.2336 6.2336 6.2346 6.2346 6.7628 6.7628 6.7635 6.7635 7.7833 7.7833 7.7835 7.7835 8.1761 8.1761 8.1766 8.1766 8.3587 8.3587 8.3638 8.3638 8.5685 8.5685 8.5691 8.5691 8.8537 8.8537 8.8545 8.8545 9.2849 9.2849 9.2867 9.2867 9.7870 9.7870 9.7893 9.7893 10.1366 10.1366 10.1391 10.1391 10.7164 10.7164 10.7175 10.7175 13.7276 13.7276 13.7343 13.7343 k = 0.5000-0.0000 0.0234 ( 5320 PWs) bands (ev): -0.3063 -0.3063 -0.3062 -0.3062 4.6243 4.6243 4.6246 4.6246 6.2307 6.2307 6.2313 6.2313 6.7627 6.7627 6.7632 6.7632 7.7817 7.7817 7.7818 7.7818 8.1788 8.1788 8.1792 8.1792 8.3607 8.3607 8.3641 8.3641 8.5701 8.5701 8.5705 8.5705 8.8516 8.8516 8.8522 8.8522 9.2868 9.2868 9.2880 9.2880 9.7855 9.7855 9.7871 9.7871 10.1365 10.1365 10.1382 10.1382 10.7218 10.7218 10.7224 10.7224 13.7338 13.7338 13.7386 13.7386 k = 0.5000-0.0000 0.0117 ( 5316 PWs) bands (ev): -0.3063 -0.3063 -0.3063 -0.3063 4.6245 4.6245 4.6246 4.6246 6.2290 6.2290 6.2293 6.2293 6.7627 6.7627 6.7629 6.7629 7.7807 7.7807 7.7807 7.7807 8.1805 8.1805 8.1807 8.1807 8.3623 8.3623 8.3640 8.3640 8.5711 8.5711 8.5713 8.5713 8.8504 8.8504 8.8507 8.8507 9.2881 9.2881 9.2887 9.2887 9.7848 9.7848 9.7855 9.7855 10.1367 10.1367 10.1375 10.1375 10.7251 10.7251 10.7254 10.7254 13.7382 13.7382 13.7407 13.7407 k = 0.5000-0.0000-0.0000 ( 5324 PWs) bands (ev): -0.3063 -0.3063 -0.3063 -0.3063 4.6245 4.6245 4.6245 4.6245 6.2285 6.2285 6.2285 6.2285 6.7627 6.7627 6.7627 6.7627 7.7804 7.7804 7.7804 7.7804 8.1811 8.1811 8.1811 8.1811 8.3634 8.3634 8.3634 8.3634 8.5715 8.5715 8.5715 8.5715 8.8501 8.8501 8.8501 8.8501 9.2887 9.2887 9.2887 9.2887 9.7848 9.7848 9.7848 9.7848 10.1370 10.1370 10.1370 10.1370 10.7263 10.7263 10.7263 10.7263 13.7406 13.7406 13.7406 13.7406 k = 0.0000 0.0000 0.2686 ( 5320 PWs) bands (ev): -1.0101 -1.0101 -0.9688 -0.9688 5.0519 5.0519 5.4257 5.4257 5.6219 5.6219 5.9269 5.9269 6.6884 6.6884 6.9359 6.9359 7.8662 7.8662 7.9966 7.9966 8.0328 8.0328 8.0412 8.0412 8.1539 8.1539 8.2820 8.2820 8.4143 8.4143 8.4647 8.4647 8.9146 8.9146 9.5308 9.5308 9.6373 9.6373 9.7329 9.7329 9.9366 9.9366 10.1247 10.1247 11.0950 11.0950 11.3399 11.3399 11.7256 11.7257 11.8533 11.8533 11.8867 11.8867 12.0769 12.0769 k = 0.0116-0.0000 0.2686 ( 5324 PWs) bands (ev): -1.0093 -1.0093 -0.9680 -0.9680 5.0530 5.0530 5.4267 5.4267 5.6225 5.6225 5.9277 5.9277 6.6863 6.6863 6.9322 6.9322 7.8636 7.8636 7.9966 7.9966 8.0288 8.0288 8.0494 8.0494 8.1550 8.1550 8.2830 8.2830 8.4154 8.4154 8.4648 8.4648 8.9162 8.9162 9.5288 9.5288 9.6348 9.6348 9.7320 9.7320 9.9327 9.9327 10.1215 10.1215 11.0926 11.0926 11.3360 11.3360 11.7243 11.7243 11.8353 11.8353 11.9057 11.9057 12.0698 12.0698 k = 0.0233-0.0000 0.2686 ( 5324 PWs) bands (ev): -1.0070 -1.0070 -0.9657 -0.9657 5.0562 5.0562 5.4300 5.4300 5.6244 5.6244 5.9299 5.9299 6.6801 6.6801 6.9213 6.9213 7.8565 7.8565 7.9945 7.9945 8.0293 8.0293 8.0629 8.0629 8.1584 8.1584 8.2858 8.2858 8.4185 8.4185 8.4651 8.4651 8.9207 8.9207 9.5230 9.5230 9.6272 9.6272 9.7293 9.7293 9.9214 9.9214 10.1123 10.1123 11.0853 11.0853 11.3246 11.3246 11.7189 11.7189 11.8073 11.8073 11.9365 11.9365 12.0534 12.0534 k = 0.0349-0.0000 0.2686 ( 5326 PWs) bands (ev): -1.0032 -1.0032 -0.9617 -0.9617 5.0615 5.0615 5.4353 5.4353 5.6275 5.6275 5.9337 5.9337 6.6699 6.6699 6.9035 6.9035 7.8463 7.8463 7.9890 7.9890 8.0372 8.0372 8.0783 8.0783 8.1639 8.1639 8.2903 8.2903 8.4238 8.4238 8.4656 8.4656 8.9283 8.9283 9.5136 9.5136 9.6150 9.6150 9.7245 9.7245 9.9028 9.9028 10.0974 10.0974 11.0729 11.0729 11.3067 11.3067 11.7061 11.7061 11.7781 11.7781 11.9693 11.9693 12.0389 12.0389 k = 0.0465-0.0000 0.2686 ( 5328 PWs) bands (ev): -0.9979 -0.9979 -0.9562 -0.9562 5.0688 5.0688 5.4428 5.4428 5.6318 5.6318 5.9389 5.9389 6.6560 6.6560 6.8791 6.8791 7.8344 7.8344 7.9822 7.9822 8.0494 8.0494 8.0949 8.0949 8.1717 8.1717 8.2962 8.2962 8.4314 8.4314 8.4663 8.4663 8.9390 8.9390 9.5006 9.5006 9.5983 9.5983 9.7174 9.7174 9.8778 9.8778 10.0775 10.0775 11.0553 11.0553 11.2835 11.2835 11.6821 11.6821 11.7490 11.7490 12.0005 12.0005 12.0376 12.0376 k = 0.0581-0.0000 0.2686 ( 5326 PWs) bands (ev): -0.9911 -0.9911 -0.9492 -0.9492 5.0781 5.0781 5.4521 5.4521 5.6372 5.6372 5.9456 5.9456 6.6384 6.6384 6.8488 6.8488 7.8217 7.8217 7.9755 7.9755 8.0635 8.0635 8.1123 8.1123 8.1816 8.1816 8.3034 8.3034 8.4413 8.4413 8.4671 8.4671 8.9526 8.9526 9.4846 9.4846 9.5779 9.5779 9.7075 9.7075 9.8470 9.8470 10.0537 10.0537 11.0323 11.0323 11.2561 11.2561 11.6457 11.6457 11.7209 11.7209 12.0225 12.0225 12.0601 12.0601 k = 0.0698-0.0000 0.2686 ( 5322 PWs) bands (ev): -0.9828 -0.9828 -0.9407 -0.9407 5.0892 5.0892 5.4633 5.4633 5.6437 5.6437 5.9536 5.9536 6.6176 6.6176 6.8133 6.8133 7.8088 7.8088 7.9693 7.9693 8.0783 8.0783 8.1302 8.1302 8.1934 8.1934 8.3115 8.3115 8.4536 8.4536 8.4684 8.4684 8.9692 8.9692 9.4658 9.4658 9.5541 9.5541 9.6940 9.6940 9.8115 9.8115 10.0272 10.0272 11.0039 11.0039 11.2254 11.2254 11.5994 11.5994 11.6939 11.6939 12.0426 12.0426 12.0977 12.0977 k = 0.0814-0.0000 0.2686 ( 5326 PWs) bands (ev): -0.9731 -0.9731 -0.9307 -0.9307 5.1019 5.1019 5.4760 5.4760 5.6510 5.6510 5.9630 5.9630 6.5940 6.5940 6.7734 6.7734 7.7963 7.7963 7.9637 7.9637 8.0930 8.0930 8.1483 8.1483 8.2069 8.2069 8.3202 8.3202 8.4653 8.4653 8.4729 8.4729 8.9887 8.9887 9.4445 9.4445 9.5278 9.5278 9.6762 9.6762 9.7722 9.7722 9.9998 9.9998 10.9702 10.9702 11.1918 11.1918 11.5470 11.5470 11.6670 11.6670 12.0680 12.0680 12.1404 12.1404 k = 0.0930-0.0000 0.2686 ( 5316 PWs) bands (ev): -0.9619 -0.9619 -0.9193 -0.9193 5.1161 5.1161 5.4900 5.4900 5.6592 5.6592 5.9737 5.9737 6.5680 6.5680 6.7297 6.7297 7.7844 7.7844 7.9589 7.9589 8.1073 8.1073 8.1664 8.1664 8.2215 8.2215 8.3292 8.3292 8.4687 8.4687 8.4887 8.4887 9.0111 9.0111 9.4212 9.4212 9.4995 9.4995 9.6529 9.6529 9.7303 9.7303 9.9729 9.9729 10.9315 10.9315 11.1557 11.1557 11.4916 11.4916 11.6398 11.6398 12.0983 12.0983 12.1858 12.1858 k = 0.1047-0.0000 0.2686 ( 5316 PWs) bands (ev): -0.9494 -0.9494 -0.9064 -0.9064 5.1315 5.1315 5.5048 5.5048 5.6683 5.6683 5.9855 5.9855 6.5400 6.5400 6.6830 6.6830 7.7733 7.7733 7.9547 7.9547 8.1210 8.1210 8.1843 8.1843 8.2369 8.2369 8.3384 8.3384 8.4704 8.4704 8.5089 8.5089 9.0361 9.0361 9.3960 9.3960 9.4697 9.4697 9.6237 9.6237 9.6870 9.6870 9.9481 9.9481 10.8882 10.8882 11.1171 11.1171 11.4354 11.4354 11.6119 11.6119 12.1322 12.1322 12.2331 12.2331 k = 0.1163-0.0000 0.2686 ( 5308 PWs) bands (ev): -0.9355 -0.9355 -0.8922 -0.8922 5.1479 5.1479 5.5199 5.5199 5.6784 5.6784 5.9985 5.9985 6.5109 6.5109 6.6344 6.6344 7.7632 7.7632 7.9513 7.9513 8.1340 8.1340 8.2015 8.2015 8.2524 8.2524 8.3475 8.3475 8.4723 8.4723 8.5318 8.5318 9.0638 9.0638 9.3692 9.3692 9.4391 9.4391 9.5882 9.5882 9.6435 9.6435 9.9265 9.9265 10.8408 10.8408 11.0759 11.0759 11.3798 11.3798 11.5829 11.5829 12.1686 12.1686 12.2818 12.2818 k = 0.1279-0.0000 0.2686 ( 5308 PWs) bands (ev): -0.9204 -0.9204 -0.8767 -0.8767 5.1648 5.1648 5.5343 5.5343 5.6896 5.6896 6.0123 6.0123 6.4811 6.4811 6.5845 6.5845 7.7542 7.7542 7.9486 7.9486 8.1462 8.1462 8.2178 8.2178 8.2675 8.2675 8.3562 8.3562 8.4750 8.4750 8.5568 8.5568 9.0938 9.0938 9.3411 9.3411 9.4078 9.4078 9.5469 9.5469 9.6011 9.6011 9.9085 9.9085 10.7899 10.7899 11.0320 11.0320 11.3256 11.3256 11.5526 11.5526 12.2066 12.2066 12.3317 12.3317 k = 0.1395-0.0000 0.2686 ( 5318 PWs) bands (ev): -0.9040 -0.9040 -0.8600 -0.8600 5.1818 5.1818 5.5469 5.5469 5.7026 5.7026 6.0269 6.0269 6.4514 6.4514 6.5345 6.5345 7.7464 7.7464 7.9466 7.9466 8.1577 8.1577 8.2325 8.2325 8.2819 8.2819 8.3646 8.3646 8.4787 8.4787 8.5837 8.5837 9.1258 9.1258 9.3119 9.3119 9.3759 9.3759 9.5010 9.5010 9.5611 9.5611 9.8939 9.8939 10.7359 10.7359 10.9853 10.9853 11.2734 11.2734 11.5210 11.5210 12.2458 12.2458 12.3823 12.3823 k = 0.1512-0.0000 0.2686 ( 5318 PWs) bands (ev): -0.8865 -0.8865 -0.8421 -0.8421 5.1983 5.1983 5.5563 5.5563 5.7178 5.7178 6.0421 6.0421 6.4227 6.4227 6.4855 6.4855 7.7399 7.7399 7.9453 7.9453 8.1684 8.1684 8.2450 8.2450 8.2953 8.2953 8.3723 8.3723 8.4841 8.4841 8.6119 8.6119 9.1589 9.1589 9.2817 9.2817 9.3439 9.3439 9.4516 9.4516 9.5253 9.5253 9.8823 9.8823 10.6794 10.6794 10.9358 10.9358 11.2236 11.2236 11.4879 11.4879 12.2857 12.2857 12.4334 12.4334 k = 0.1628-0.0000 0.2686 ( 5322 PWs) bands (ev): -0.8678 -0.8678 -0.8230 -0.8230 5.2139 5.2139 5.5610 5.5610 5.7358 5.7358 6.0573 6.0573 6.3956 6.3956 6.4391 6.4391 7.7348 7.7348 7.9446 7.9446 8.1784 8.1784 8.2548 8.2548 8.3074 8.3074 8.3797 8.3797 8.4912 8.4912 8.6409 8.6409 9.1911 9.1911 9.2509 9.2509 9.3133 9.3133 9.4001 9.4001 9.4949 9.4949 9.8731 9.8731 10.6210 10.6210 10.8836 10.8836 11.1762 11.1762 11.4535 11.4535 12.3260 12.3260 12.4848 12.4848 k = 0.1744-0.0000 0.2686 ( 5312 PWs) bands (ev): -0.8480 -0.8480 -0.8030 -0.8030 5.2276 5.2276 5.5599 5.5599 5.7571 5.7571 6.0721 6.0721 6.3702 6.3702 6.3974 6.3974 7.7311 7.7311 7.9447 7.9447 8.1876 8.1876 8.2613 8.2613 8.3177 8.3177 8.3873 8.3873 8.5000 8.5000 8.6701 8.6701 9.2117 9.2117 9.2228 9.2228 9.2911 9.2911 9.3481 9.3481 9.4712 9.4712 9.8660 9.8660 10.5611 10.5611 10.8291 10.8291 11.1311 11.1311 11.4178 11.4178 12.3665 12.3665 12.5362 12.5362 k = 0.1860-0.0000 0.2686 ( 5314 PWs) bands (ev): -0.8273 -0.8273 -0.7820 -0.7820 5.2387 5.2387 5.5523 5.5523 5.7815 5.7815 6.0858 6.0858 6.3445 6.3445 6.3650 6.3650 7.7289 7.7289 7.9452 7.9452 8.1958 8.1958 8.2641 8.2641 8.3259 8.3259 8.3956 8.3956 8.5103 8.5103 8.6983 8.6983 9.1837 9.1837 9.2152 9.2152 9.2922 9.2922 9.3017 9.3017 9.4549 9.4549 9.8604 9.8604 10.5003 10.5003 10.7726 10.7726 11.0882 11.0882 11.3809 11.3809 12.4071 12.4071 12.5876 12.5876 k = 0.1977-0.0000 0.2686 ( 5322 PWs) bands (ev): -0.8057 -0.8057 -0.7602 -0.7602 5.2462 5.2462 5.5379 5.5379 5.8087 5.8087 6.0971 6.0971 6.3187 6.3187 6.3447 6.3447 7.7280 7.7280 7.9462 7.9462 8.2029 8.2029 8.2635 8.2635 8.3320 8.3320 8.4049 8.4049 8.5214 8.5214 8.7243 8.7243 9.1490 9.1490 9.1927 9.1927 9.2487 9.2487 9.3230 9.3230 9.4475 9.4475 9.8561 9.8561 10.4389 10.4389 10.7145 10.7145 11.0470 11.0470 11.3431 11.3431 12.4477 12.4477 12.6389 12.6389 k = 0.2093-0.0000 0.2686 ( 5322 PWs) bands (ev): -0.7833 -0.7833 -0.7376 -0.7376 5.2491 5.2491 5.5169 5.5169 5.8380 5.8380 6.1049 6.1049 6.2993 6.2993 6.3327 6.3327 7.7286 7.7286 7.9477 7.9477 8.2087 8.2087 8.2598 8.2598 8.3361 8.3361 8.4147 8.4147 8.5329 8.5329 8.7461 8.7461 9.1135 9.1135 9.1668 9.1668 9.2075 9.2075 9.3477 9.3477 9.4523 9.4523 9.8528 9.8528 10.3776 10.3776 10.6554 10.6554 11.0075 11.0075 11.3045 11.3045 12.4882 12.4882 12.6901 12.6901 k = 0.2209-0.0000 0.2686 ( 5326 PWs) bands (ev): -0.7601 -0.7601 -0.7144 -0.7144 5.2466 5.2466 5.4897 5.4897 5.8690 5.8690 6.1086 6.1086 6.2902 6.2902 6.3267 6.3267 7.7306 7.7306 7.9492 7.9492 8.2126 8.2126 8.2542 8.2542 8.3386 8.3386 8.4245 8.4245 8.5440 8.5440 8.7610 8.7610 9.0784 9.0784 9.1406 9.1406 9.1765 9.1765 9.3638 9.3638 9.4718 9.4718 9.8502 9.8502 10.3169 10.3169 10.5958 10.5958 10.9692 10.9692 11.2653 11.2653 12.5288 12.5288 12.7410 12.7410 k = 0.2326-0.0000 0.2686 ( 5328 PWs) bands (ev): -0.7363 -0.7363 -0.6906 -0.6906 5.2380 5.2380 5.4570 5.4570 5.9011 5.9011 6.1094 6.1094 6.2915 6.2915 6.3262 6.3262 7.7339 7.7339 7.9508 7.9508 8.2136 8.2136 8.2483 8.2483 8.3394 8.3394 8.4334 8.4334 8.5543 8.5543 8.7666 8.7666 9.0452 9.0452 9.1154 9.1154 9.1586 9.1586 9.3724 9.3724 9.5026 9.5026 9.8481 9.8481 10.2576 10.2576 10.5360 10.5360 10.9321 10.9321 11.2258 11.2258 12.5694 12.5694 12.7918 12.7918 k = 0.2442-0.0000 0.2686 ( 5328 PWs) bands (ev): -0.7120 -0.7120 -0.6664 -0.6664 5.2230 5.2230 5.4194 5.4194 5.9337 5.9337 6.1100 6.1100 6.3010 6.3010 6.3309 6.3309 7.7385 7.7385 7.9521 7.9521 8.2107 8.2107 8.2441 8.2441 8.3386 8.3386 8.4407 8.4407 8.5632 8.5632 8.7614 8.7614 9.0148 9.0148 9.0933 9.0933 9.1537 9.1537 9.3779 9.3779 9.5386 9.5386 9.8464 9.8464 10.2005 10.2005 10.4768 10.4768 10.8960 10.8960 11.1861 11.1861 12.6101 12.6101 12.8424 12.8424 k = 0.2558-0.0000 0.2686 ( 5320 PWs) bands (ev): -0.6873 -0.6873 -0.6418 -0.6418 5.2017 5.2017 5.3778 5.3778 5.9665 5.9665 6.1128 6.1128 6.3161 6.3161 6.3406 6.3406 7.7442 7.7442 7.9528 7.9528 8.2041 8.2041 8.2421 8.2421 8.3357 8.3357 8.4456 8.4456 8.5702 8.5702 8.7470 8.7470 8.9878 8.9878 9.0747 9.0747 9.1610 9.1610 9.3832 9.3832 9.5752 9.5752 9.8448 9.8448 10.1468 10.1468 10.4185 10.4185 10.8608 10.8608 11.1464 11.1464 12.6511 12.6511 12.8929 12.8929 k = 0.2674-0.0000 0.2686 ( 5324 PWs) bands (ev): -0.6622 -0.6622 -0.6171 -0.6171 5.1746 5.1746 5.3330 5.3330 5.9988 5.9988 6.1192 6.1192 6.3349 6.3349 6.3550 6.3550 7.7509 7.7509 7.9526 7.9526 8.1957 8.1957 8.2411 8.2411 8.3305 8.3305 8.4474 8.4474 8.5747 8.5747 8.7270 8.7270 8.9649 8.9649 9.0590 9.0590 9.1782 9.1782 9.3892 9.3892 9.6094 9.6094 9.8430 9.8430 10.0983 10.0983 10.3620 10.3620 10.8266 10.8266 11.1070 11.1070 12.6924 12.6924 12.9433 12.9433 k = 0.2791-0.0000 0.2686 ( 5322 PWs) bands (ev): -0.6370 -0.6370 -0.5924 -0.5924 5.1425 5.1425 5.2858 5.2858 6.0302 6.0302 6.1296 6.1296 6.3559 6.3559 6.3737 6.3737 7.7585 7.7585 7.9513 7.9513 8.1873 8.1873 8.2401 8.2401 8.3222 8.3222 8.4459 8.4459 8.5760 8.5760 8.7060 8.7060 8.9464 8.9464 9.0456 9.0456 9.2023 9.2023 9.3959 9.3959 9.6382 9.6382 9.8407 9.8407 10.0575 10.0575 10.3078 10.3078 10.7932 10.7932 11.0679 11.0679 12.7340 12.7340 12.9936 12.9936 k = 0.2907-0.0000 0.2686 ( 5332 PWs) bands (ev): -0.6117 -0.6117 -0.5677 -0.5677 5.1065 5.1065 5.2370 5.2370 6.0605 6.0605 6.1437 6.1437 6.3789 6.3789 6.3961 6.3961 7.7667 7.7667 7.9487 7.9487 8.1799 8.1799 8.2383 8.2383 8.3105 8.3105 8.4412 8.4412 8.5738 8.5738 8.6874 8.6874 8.9324 8.9324 9.0342 9.0342 9.2302 9.2302 9.4030 9.4030 9.6584 9.6584 9.8376 9.8376 10.0276 10.0276 10.2568 10.2568 10.7608 10.7608 11.0293 11.0293 12.7762 12.7762 13.0437 13.0437 k = 0.3023-0.0000 0.2686 ( 5328 PWs) bands (ev): -0.5864 -0.5864 -0.5433 -0.5433 5.0675 5.0675 5.1872 5.1872 6.0892 6.0892 6.1608 6.1608 6.4039 6.4039 6.4212 6.4212 7.7754 7.7754 7.9450 7.9450 8.1739 8.1739 8.2353 8.2353 8.2950 8.2950 8.4341 8.4341 8.5680 8.5680 8.6730 8.6730 8.9227 8.9227 9.0248 9.0248 9.2594 9.2594 9.4100 9.4100 9.6675 9.6675 9.8338 9.8338 10.0116 10.0116 10.2098 10.2098 10.7294 10.7294 10.9913 10.9913 12.8188 12.8188 13.0937 13.0937 k = 0.3140-0.0000 0.2686 ( 5326 PWs) bands (ev): -0.5614 -0.5614 -0.5193 -0.5193 5.0267 5.0267 5.1371 5.1371 6.1163 6.1163 6.1800 6.1800 6.4306 6.4306 6.4483 6.4483 7.7843 7.7843 7.9404 7.9404 8.1691 8.1691 8.2305 8.2305 8.2767 8.2767 8.4257 8.4257 8.5589 8.5589 8.6632 8.6632 8.9170 8.9170 9.0171 9.0171 9.2876 9.2876 9.4156 9.4156 9.6654 9.6654 9.8299 9.8299 10.0100 10.0100 10.1678 10.1678 10.6991 10.6991 10.9540 10.9540 12.8621 12.8621 13.1435 13.1435 k = 0.3256-0.0000 0.2686 ( 5322 PWs) bands (ev): -0.5367 -0.5367 -0.4958 -0.4958 4.9850 4.9850 5.0873 5.0873 6.1417 6.1417 6.2007 6.2007 6.4588 6.4588 6.4771 6.4771 7.7933 7.7933 7.9354 7.9354 8.1642 8.1642 8.2229 8.2229 8.2580 8.2580 8.4170 8.4170 8.5476 8.5476 8.6567 8.6567 8.9144 8.9144 9.0111 9.0111 9.3127 9.3127 9.4183 9.4183 9.6558 9.6558 9.8269 9.8269 10.0202 10.0202 10.1313 10.1313 10.6700 10.6700 10.9174 10.9174 12.9059 12.9059 13.1930 13.1930 k = 0.3372-0.0000 0.2686 ( 5324 PWs) bands (ev): -0.5125 -0.5125 -0.4730 -0.4730 4.9432 4.9432 5.0381 5.0381 6.1654 6.1654 6.2219 6.2219 6.4876 6.4876 6.5074 6.5074 7.8020 7.8020 7.9307 7.9307 8.1572 8.1572 8.2106 8.2106 8.2439 8.2439 8.4084 8.4084 8.5352 8.5352 8.6522 8.6522 8.9142 8.9142 9.0064 9.0064 9.3325 9.3325 9.4162 9.4162 9.6446 9.6446 9.8264 9.8264 10.0376 10.0376 10.1009 10.1009 10.6421 10.6421 10.8817 10.8817 12.9503 12.9503 13.2420 13.2420 k = 0.3488-0.0000 0.2686 ( 5334 PWs) bands (ev): -0.4890 -0.4890 -0.4510 -0.4510 4.9020 4.9020 4.9902 4.9902 6.1875 6.1875 6.2430 6.2430 6.5166 6.5166 6.5391 6.5391 7.8103 7.8103 7.9267 7.9267 8.1448 8.1448 8.1961 8.1961 8.2362 8.2362 8.4002 8.4002 8.5224 8.5224 8.6485 8.6485 8.9157 8.9157 9.0028 9.0028 9.3451 9.3451 9.4078 9.4078 9.6370 9.6370 9.8301 9.8301 10.0548 10.0548 10.0797 10.0797 10.6157 10.6157 10.8467 10.8467 12.9952 12.9952 13.2902 13.2902 k = 0.3605-0.0000 0.2686 ( 5338 PWs) bands (ev): -0.4662 -0.4662 -0.4300 -0.4300 4.8621 4.8621 4.9438 4.9438 6.2081 6.2081 6.2636 6.2636 6.5451 6.5451 6.5715 6.5715 7.8180 7.8180 7.9241 7.9241 8.1257 8.1257 8.1831 8.1831 8.2331 8.2331 8.3924 8.3924 8.5099 8.5099 8.6448 8.6448 8.9181 8.9181 9.0000 9.0000 9.3492 9.3492 9.3931 9.3931 9.6360 9.6360 9.8399 9.8399 10.0476 10.0476 10.0890 10.0890 10.5908 10.5908 10.8125 10.8125 13.0406 13.0406 13.3373 13.3373 k = 0.3721-0.0000 0.2686 ( 5340 PWs) bands (ev): -0.4444 -0.4444 -0.4102 -0.4102 4.8240 4.8240 4.8994 4.8994 6.2273 6.2273 6.2831 6.2831 6.5730 6.5730 6.6040 6.6040 7.8251 7.8251 7.9230 7.9230 8.1030 8.1030 8.1709 8.1709 8.2334 8.2334 8.3848 8.3848 8.4983 8.4983 8.6406 8.6406 8.9209 8.9209 8.9976 8.9976 9.3445 9.3445 9.3740 9.3740 9.6415 9.6415 9.8567 9.8567 10.0309 10.0309 10.1107 10.1107 10.5676 10.5676 10.7790 10.7790 13.0864 13.0864 13.3828 13.3828 k = 0.3837-0.0000 0.2686 ( 5348 PWs) bands (ev): -0.4236 -0.4236 -0.3917 -0.3917 4.7881 4.7881 4.8573 4.8573 6.2452 6.2452 6.3012 6.3012 6.6001 6.6001 6.6359 6.6359 7.8316 7.8316 7.9235 7.9235 8.0802 8.0802 8.1575 8.1575 8.2360 8.2360 8.3773 8.3773 8.4879 8.4879 8.6355 8.6355 8.9235 8.9235 8.9950 8.9950 9.3321 9.3321 9.3534 9.3534 9.6524 9.6524 9.8802 9.8802 10.0153 10.0153 10.1323 10.1323 10.5462 10.5462 10.7461 10.7461 13.1325 13.1325 13.4261 13.4261 k = 0.3953-0.0000 0.2686 ( 5346 PWs) bands (ev): -0.4041 -0.4041 -0.3746 -0.3746 4.7550 4.7550 4.8179 4.8179 6.2619 6.2619 6.3174 6.3174 6.6262 6.6262 6.6663 6.6663 7.8379 7.8379 7.9255 7.9255 8.0594 8.0594 8.1422 8.1422 8.2401 8.2401 8.3698 8.3698 8.4792 8.4792 8.6291 8.6291 8.9256 8.9256 8.9920 8.9920 9.3145 9.3145 9.3330 9.3330 9.6672 9.6672 9.9092 9.9092 10.0009 10.0009 10.1523 10.1523 10.5267 10.5267 10.7138 10.7138 13.1786 13.1786 13.4665 13.4665 k = 0.4070-0.0000 0.2686 ( 5346 PWs) bands (ev): -0.3860 -0.3860 -0.3592 -0.3592 4.7249 4.7249 4.7813 4.7813 6.2775 6.2775 6.3317 6.3317 6.6512 6.6512 6.6946 6.6946 7.8440 7.8440 7.9286 7.9286 8.0419 8.0419 8.1250 8.1250 8.2451 8.2451 8.3623 8.3623 8.4726 8.4726 8.6215 8.6215 8.9269 8.9269 8.9880 8.9880 9.2952 9.2952 9.3133 9.3133 9.6847 9.6847 9.9419 9.9419 9.9874 9.9874 10.1702 10.1702 10.5091 10.5091 10.6820 10.6820 13.2246 13.2246 13.5030 13.5030 k = 0.4186-0.0000 0.2686 ( 5350 PWs) bands (ev): -0.3694 -0.3694 -0.3454 -0.3454 4.6981 4.6981 4.7480 4.7480 6.2920 6.2920 6.3436 6.3436 6.6749 6.6749 6.7201 6.7201 7.8502 7.8502 7.9327 7.9327 8.0279 8.0279 8.1062 8.1062 8.2503 8.2503 8.3544 8.3544 8.4685 8.4685 8.6123 8.6123 8.9275 8.9275 8.9828 8.9828 9.2771 9.2771 9.2948 9.2948 9.7040 9.7040 9.9667 9.9667 9.9842 9.9842 10.1855 10.1855 10.4937 10.4937 10.6507 10.6507 13.2702 13.2702 13.5346 13.5346 k = 0.4302-0.0000 0.2686 ( 5352 PWs) bands (ev): -0.3544 -0.3544 -0.3335 -0.3335 4.6749 4.6749 4.7181 4.7181 6.3055 6.3055 6.3532 6.3532 6.6971 6.6971 6.7421 6.7421 7.8568 7.8568 7.9375 7.9375 8.0175 8.0175 8.0862 8.0862 8.2556 8.2556 8.3463 8.3463 8.4672 8.4672 8.6016 8.6016 8.9273 8.9273 8.9763 8.9763 9.2614 9.2614 9.2781 9.2781 9.7245 9.7245 9.9557 9.9557 10.0178 10.0178 10.1983 10.1983 10.4806 10.4806 10.6200 10.6200 13.3151 13.3151 13.5599 13.5599 k = 0.4419-0.0000 0.2686 ( 5350 PWs) bands (ev): -0.3412 -0.3412 -0.3235 -0.3235 4.6556 4.6556 4.6918 4.6918 6.3180 6.3180 6.3604 6.3604 6.7176 6.7176 6.7602 6.7602 7.8643 7.8643 7.9428 7.9428 8.0100 8.0100 8.0657 8.0657 8.2610 8.2610 8.3378 8.3378 8.4688 8.4688 8.5894 8.5894 8.9268 8.9268 8.9688 8.9688 9.2488 9.2488 9.2638 9.2638 9.7457 9.7457 9.9407 9.9407 10.0547 10.0547 10.2082 10.2082 10.4700 10.4700 10.5900 10.5900 13.3589 13.3589 13.5779 13.5779 k = 0.4535-0.0000 0.2686 ( 5340 PWs) bands (ev): -0.3299 -0.3299 -0.3156 -0.3156 4.6402 4.6402 4.6694 4.6694 6.3293 6.3293 6.3651 6.3651 6.7362 6.7362 6.7739 6.7739 7.8731 7.8731 7.9476 7.9476 8.0044 8.0044 8.0458 8.0458 8.2665 8.2665 8.3290 8.3290 8.4734 8.4734 8.5758 8.5758 8.9263 8.9263 8.9606 8.9606 9.2394 9.2394 9.2521 9.2521 9.7671 9.7671 9.9245 9.9245 10.0907 10.0907 10.2150 10.2150 10.4623 10.4623 10.5611 10.5611 13.4011 13.4011 13.5874 13.5874 k = 0.4651-0.0000 0.2686 ( 5346 PWs) bands (ev): -0.3206 -0.3206 -0.3098 -0.3098 4.6289 4.6289 4.6509 4.6509 6.3395 6.3395 6.3674 6.3674 6.7525 6.7525 6.7832 6.7832 7.8836 7.8836 7.9504 7.9504 8.0000 8.0000 8.0282 8.0282 8.2724 8.2724 8.3199 8.3199 8.4808 8.4808 8.5613 8.5613 8.9263 8.9263 8.9523 8.9523 9.2330 9.2330 9.2430 9.2430 9.7885 9.7885 9.9073 9.9073 10.1243 10.1243 10.2182 10.2182 10.4580 10.4580 10.5340 10.5340 13.4412 13.4412 13.5881 13.5881 k = 0.4767-0.0000 0.2686 ( 5342 PWs) bands (ev): -0.3134 -0.3134 -0.3061 -0.3061 4.6218 4.6218 4.6366 4.6366 6.3483 6.3483 6.3675 6.3675 6.7663 6.7663 6.7880 6.7880 7.8961 7.8961 7.9482 7.9482 7.9972 7.9972 8.0150 8.0150 8.2788 8.2788 8.3109 8.3109 8.4907 8.4907 8.5461 8.5461 8.9272 8.9272 8.9447 8.9447 9.2294 9.2294 9.2362 9.2362 9.8098 9.8098 9.8893 9.8893 10.1542 10.1542 10.2170 10.2170 10.4579 10.4579 10.5096 10.5096 13.4784 13.4784 13.5801 13.5801 k = 0.4884-0.0000 0.2686 ( 5338 PWs) bands (ev): -0.3083 -0.3083 -0.3046 -0.3046 4.6190 4.6190 4.6264 4.6264 6.3557 6.3557 6.3655 6.3655 6.7771 6.7771 6.7883 6.7883 7.9103 7.9103 7.9391 7.9391 7.9974 7.9974 8.0064 8.0064 8.2859 8.2859 8.3021 8.3021 8.5026 8.5026 8.5309 8.5309 8.9294 8.9294 8.9381 8.9381 9.2280 9.2280 9.2315 9.2315 9.8306 9.8306 9.8704 9.8704 10.1791 10.1791 10.2105 10.2105 10.4628 10.4628 10.4889 10.4889 13.5120 13.5120 13.5640 13.5640 k = 0.5000-0.0000 0.2686 ( 5340 PWs) bands (ev): -0.3053 -0.3053 -0.3053 -0.3053 4.6206 4.6206 4.6206 4.6206 6.3615 6.3615 6.3615 6.3615 6.7846 6.7846 6.7846 6.7846 7.9253 7.9253 7.9253 7.9253 8.0007 8.0007 8.0007 8.0007 8.2937 8.2937 8.2937 8.2937 8.5162 8.5162 8.5162 8.5162 8.9330 8.9330 8.9330 8.9330 9.2288 9.2288 9.2288 9.2288 9.8508 9.8508 9.8508 9.8508 10.1980 10.1980 10.1980 10.1980 10.4731 10.4731 10.4731 10.4731 13.5409 13.5409 13.5409 13.5409 Writing output data file Zr2NiP.save init_run : 0.25s CPU 4.15s WALL ( 1 calls) electrons : 264.61s CPU 268.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 264.60s CPU 268.45s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 288 calls) cegterg : 242.89s CPU 246.14s WALL ( 699 calls) Called by sum_band: Called by *egterg: h_psi : 125.28s CPU 127.43s WALL ( 12055 calls) s_psi : 11.63s CPU 11.64s WALL ( 12055 calls) g_psi : 0.47s CPU 0.49s WALL ( 11068 calls) cdiaghg : 89.68s CPU 90.63s WALL ( 11356 calls) cegterg:over : 12.43s CPU 12.29s WALL ( 11068 calls) cegterg:upda : 10.94s CPU 11.27s WALL ( 11068 calls) cegterg:last : 5.83s CPU 5.88s WALL ( 1851 calls) cdiaghg:chol : 5.07s CPU 5.20s WALL ( 11356 calls) cdiaghg:inve : 3.34s CPU 3.50s WALL ( 11356 calls) cdiaghg:para : 5.41s CPU 5.60s WALL ( 22712 calls) Called by h_psi: h_psi:vloc : 97.00s CPU 98.79s WALL ( 12055 calls) h_psi:vnl : 27.85s CPU 28.15s WALL ( 12055 calls) add_vuspsi : 14.56s CPU 14.72s WALL ( 12055 calls) General routines calbec : 13.26s CPU 13.39s WALL ( 12055 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 91.40s CPU 92.99s WALL ( 1270576 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.25s WALL ( 576 calls) Parallel routines fft_scatter : 38.76s CPU 39.14s WALL ( 1270599 calls) PWSCF : 4m42.62s CPU 5m10.95s WALL This run was terminated on: 21: 3: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=