Program PWSCF v.5.4.0 starts on 11Feb2017 at 4: 6:29 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./H3C2N.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 40 23 6 2305 965 151 Max 41 24 7 2315 988 163 Sum 1469 833 243 83213 35195 5649 bravais-lattice index = 14 lattice parameter (alat) = 7.5730 a.u. unit-cell volume = 833.6785 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.572965 celldm(2)= 1.000000 celldm(3)= 1.940865 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.147774 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.147774 0.989021 0.000000 ) a(3) = ( 0.000000 0.000000 1.940865 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.149415 -0.000000 ) b(2) = ( 0.000000 1.011101 -0.000000 ) b(3) = ( 0.000000 0.000000 0.515234 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9704324 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 392 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0082194 0.0095387 -0.0000000), wk = 0.0025510 k( 3) = ( 0.0164387 0.0190774 -0.0000000), wk = 0.0025510 k( 4) = ( 0.0246581 0.0286161 -0.0000000), wk = 0.0025510 k( 5) = ( 0.0328774 0.0381547 -0.0000000), wk = 0.0025510 k( 6) = ( 0.0410968 0.0476934 -0.0000000), wk = 0.0025510 k( 7) = ( 0.0493161 0.0572321 -0.0000000), wk = 0.0025510 k( 8) = ( 0.0575355 0.0667708 -0.0000000), wk = 0.0025510 k( 9) = ( 0.0657548 0.0763095 -0.0000000), wk = 0.0025510 k( 10) = ( 0.0739742 0.0858482 -0.0000000), wk = 0.0025510 k( 11) = ( 0.0821935 0.0953869 -0.0000000), wk = 0.0025510 k( 12) = ( 0.0904129 0.1049256 -0.0000000), wk = 0.0025510 k( 13) = ( 0.0986323 0.1144642 -0.0000000), wk = 0.0025510 k( 14) = ( 0.1068516 0.1240029 -0.0000000), wk = 0.0025510 k( 15) = ( 0.1150710 0.1335416 -0.0000000), wk = 0.0025510 k( 16) = ( 0.1232903 0.1430803 -0.0000000), wk = 0.0025510 k( 17) = ( 0.1315097 0.1526190 -0.0000000), wk = 0.0025510 k( 18) = ( 0.1397290 0.1621577 -0.0000000), wk = 0.0025510 k( 19) = ( 0.1479484 0.1716963 -0.0000000), wk = 0.0025510 k( 20) = ( 0.1561677 0.1812350 -0.0000000), wk = 0.0025510 k( 21) = ( 0.1643871 0.1907737 -0.0000000), wk = 0.0025510 k( 22) = ( 0.1726064 0.2003124 -0.0000000), wk = 0.0025510 k( 23) = ( 0.1808258 0.2098511 -0.0000000), wk = 0.0025510 k( 24) = ( 0.1890451 0.2193898 -0.0000000), wk = 0.0025510 k( 25) = ( 0.1972645 0.2289285 -0.0000000), wk = 0.0025510 k( 26) = ( 0.2054838 0.2384672 -0.0000000), wk = 0.0025510 k( 27) = ( 0.2137032 0.2480058 -0.0000000), wk = 0.0025510 k( 28) = ( 0.2219226 0.2575445 -0.0000000), wk = 0.0025510 k( 29) = ( 0.2301419 0.2670832 -0.0000000), wk = 0.0025510 k( 30) = ( 0.2383613 0.2766219 -0.0000000), wk = 0.0025510 k( 31) = ( 0.2465806 0.2861606 -0.0000000), wk = 0.0025510 k( 32) = ( 0.2548000 0.2956993 -0.0000000), wk = 0.0025510 k( 33) = ( 0.2630193 0.3052380 -0.0000000), wk = 0.0025510 k( 34) = ( 0.2712387 0.3147766 -0.0000000), wk = 0.0025510 k( 35) = ( 0.2794580 0.3243153 -0.0000000), wk = 0.0025510 k( 36) = ( 0.2876774 0.3338540 -0.0000000), wk = 0.0025510 k( 37) = ( 0.2958967 0.3433927 -0.0000000), wk = 0.0025510 k( 38) = ( 0.3041161 0.3529314 -0.0000000), wk = 0.0025510 k( 39) = ( 0.3123355 0.3624701 -0.0000000), wk = 0.0025510 k( 40) = ( 0.3205548 0.3720088 -0.0000000), wk = 0.0025510 k( 41) = ( 0.3287742 0.3815475 -0.0000000), wk = 0.0025510 k( 42) = ( 0.3369935 0.3910861 -0.0000000), wk = 0.0025510 k( 43) = ( 0.3452129 0.4006248 -0.0000000), wk = 0.0025510 k( 44) = ( 0.3534322 0.4101635 -0.0000000), wk = 0.0025510 k( 45) = ( 0.3616516 0.4197022 -0.0000000), wk = 0.0025510 k( 46) = ( 0.3698709 0.4292409 -0.0000000), wk = 0.0025510 k( 47) = ( 0.3780903 0.4387796 -0.0000000), wk = 0.0025510 k( 48) = ( 0.3863096 0.4483182 -0.0000000), wk = 0.0025510 k( 49) = ( 0.3945290 0.4578569 -0.0000000), wk = 0.0025510 k( 50) = ( 0.4027483 0.4673956 -0.0000000), wk = 0.0025510 k( 51) = ( 0.4109677 0.4769343 -0.0000000), wk = 0.0025510 k( 52) = ( 0.4191871 0.4864730 -0.0000000), wk = 0.0025510 k( 53) = ( 0.4274064 0.4960117 -0.0000000), wk = 0.0025510 k( 54) = ( 0.4356258 0.5055504 -0.0000000), wk = 0.0025510 k( 55) = ( 0.4356258 0.5055504 -0.0000000), wk = 0.0025510 k( 56) = ( 0.4231793 0.5055504 -0.0000000), wk = 0.0025510 k( 57) = ( 0.4107329 0.5055504 -0.0000000), wk = 0.0025510 k( 58) = ( 0.3982864 0.5055504 -0.0000000), wk = 0.0025510 k( 59) = ( 0.3858400 0.5055504 -0.0000000), wk = 0.0025510 k( 60) = ( 0.3733935 0.5055504 -0.0000000), wk = 0.0025510 k( 61) = ( 0.3609471 0.5055504 -0.0000000), wk = 0.0025510 k( 62) = ( 0.3485006 0.5055504 -0.0000000), wk = 0.0025510 k( 63) = ( 0.3360542 0.5055504 -0.0000000), wk = 0.0025510 k( 64) = ( 0.3236077 0.5055504 -0.0000000), wk = 0.0025510 k( 65) = ( 0.3111613 0.5055504 -0.0000000), wk = 0.0025510 k( 66) = ( 0.2987148 0.5055504 -0.0000000), wk = 0.0025510 k( 67) = ( 0.2862684 0.5055504 -0.0000000), wk = 0.0025510 k( 68) = ( 0.2738219 0.5055504 -0.0000000), wk = 0.0025510 k( 69) = ( 0.2613755 0.5055504 -0.0000000), wk = 0.0025510 k( 70) = ( 0.2489290 0.5055504 -0.0000000), wk = 0.0025510 k( 71) = ( 0.2364826 0.5055504 -0.0000000), wk = 0.0025510 k( 72) = ( 0.2240361 0.5055504 -0.0000000), wk = 0.0025510 k( 73) = ( 0.2115897 0.5055504 -0.0000000), wk = 0.0025510 k( 74) = ( 0.1991432 0.5055504 -0.0000000), wk = 0.0025510 k( 75) = ( 0.1866968 0.5055504 -0.0000000), wk = 0.0025510 k( 76) = ( 0.1742503 0.5055504 -0.0000000), wk = 0.0025510 k( 77) = ( 0.1618039 0.5055504 -0.0000000), wk = 0.0025510 k( 78) = ( 0.1493574 0.5055504 -0.0000000), wk = 0.0025510 k( 79) = ( 0.1369110 0.5055504 -0.0000000), wk = 0.0025510 k( 80) = ( 0.1244645 0.5055504 -0.0000000), wk = 0.0025510 k( 81) = ( 0.1120181 0.5055504 -0.0000000), wk = 0.0025510 k( 82) = ( 0.0995716 0.5055504 -0.0000000), wk = 0.0025510 k( 83) = ( 0.0871251 0.5055504 -0.0000000), wk = 0.0025510 k( 84) = ( 0.0746787 0.5055504 -0.0000000), wk = 0.0025510 k( 85) = ( 0.0622323 0.5055504 -0.0000000), wk = 0.0025510 k( 86) = ( 0.0497858 0.5055504 -0.0000000), wk = 0.0025510 k( 87) = ( 0.0373394 0.5055504 -0.0000000), wk = 0.0025510 k( 88) = ( 0.0248929 0.5055504 -0.0000000), wk = 0.0025510 k( 89) = ( 0.0124464 0.5055504 -0.0000000), wk = 0.0025510 k( 90) = ( 0.0000000 0.5055504 -0.0000000), wk = 0.0025510 k( 91) = ( 0.0000000 0.5055504 -0.0000000), wk = 0.0025510 k( 92) = ( 0.0000000 0.5055504 0.0122675), wk = 0.0025510 k( 93) = ( 0.0000000 0.5055504 0.0245350), wk = 0.0025510 k( 94) = ( 0.0000000 0.5055504 0.0368024), wk = 0.0025510 k( 95) = ( 0.0000000 0.5055504 0.0490699), wk = 0.0025510 k( 96) = ( 0.0000000 0.5055504 0.0613374), wk = 0.0025510 k( 97) = ( 0.0000000 0.5055504 0.0736049), wk = 0.0025510 k( 98) = ( 0.0000000 0.5055504 0.0858724), wk = 0.0025510 k( 99) = ( 0.0000000 0.5055504 0.0981399), wk = 0.0025510 k( 100) = ( 0.0000000 0.5055504 0.1104073), wk = 0.0025510 k( 101) = ( 0.0000000 0.5055504 0.1226748), wk = 0.0025510 k( 102) = ( 0.0000000 0.5055504 0.1349423), wk = 0.0025510 k( 103) = ( 0.0000000 0.5055504 0.1472098), wk = 0.0025510 k( 104) = ( 0.0000000 0.5055504 0.1594773), wk = 0.0025510 k( 105) = ( 0.0000000 0.5055504 0.1717448), wk = 0.0025510 k( 106) = ( 0.0000000 0.5055504 0.1840122), wk = 0.0025510 k( 107) = ( 0.0000000 0.5055504 0.1962797), wk = 0.0025510 k( 108) = ( 0.0000000 0.5055504 0.2085472), wk = 0.0025510 k( 109) = ( 0.0000000 0.5055504 0.2208147), wk = 0.0025510 k( 110) = ( 0.0000000 0.5055504 0.2330822), wk = 0.0025510 k( 111) = ( 0.0000000 0.5055504 0.2453496), wk = 0.0025510 k( 112) = ( 0.0000000 0.5055504 0.2576171), wk = 0.0025510 k( 113) = ( 0.0000000 0.5055504 0.2576171), wk = 0.0025510 k( 114) = ( 0.0124464 0.5055504 0.2576171), wk = 0.0025510 k( 115) = ( 0.0248929 0.5055504 0.2576171), wk = 0.0025510 k( 116) = ( 0.0373394 0.5055504 0.2576171), wk = 0.0025510 k( 117) = ( 0.0497858 0.5055504 0.2576171), wk = 0.0025510 k( 118) = ( 0.0622323 0.5055504 0.2576171), wk = 0.0025510 k( 119) = ( 0.0746787 0.5055504 0.2576171), wk = 0.0025510 k( 120) = ( 0.0871251 0.5055504 0.2576171), wk = 0.0025510 k( 121) = ( 0.0995716 0.5055504 0.2576171), wk = 0.0025510 k( 122) = ( 0.1120181 0.5055504 0.2576171), wk = 0.0025510 k( 123) = ( 0.1244645 0.5055504 0.2576171), wk = 0.0025510 k( 124) = ( 0.1369110 0.5055504 0.2576171), wk = 0.0025510 k( 125) = ( 0.1493574 0.5055504 0.2576171), wk = 0.0025510 k( 126) = ( 0.1618039 0.5055504 0.2576171), wk = 0.0025510 k( 127) = ( 0.1742503 0.5055504 0.2576171), wk = 0.0025510 k( 128) = ( 0.1866968 0.5055504 0.2576171), wk = 0.0025510 k( 129) = ( 0.1991432 0.5055504 0.2576171), wk = 0.0025510 k( 130) = ( 0.2115897 0.5055504 0.2576171), wk = 0.0025510 k( 131) = ( 0.2240361 0.5055504 0.2576171), wk = 0.0025510 k( 132) = ( 0.2364826 0.5055504 0.2576171), wk = 0.0025510 k( 133) = ( 0.2489290 0.5055504 0.2576171), wk = 0.0025510 k( 134) = ( 0.2613755 0.5055504 0.2576171), wk = 0.0025510 k( 135) = ( 0.2738219 0.5055504 0.2576171), wk = 0.0025510 k( 136) = ( 0.2862684 0.5055504 0.2576171), wk = 0.0025510 k( 137) = ( 0.2987148 0.5055504 0.2576171), wk = 0.0025510 k( 138) = ( 0.3111613 0.5055504 0.2576171), wk = 0.0025510 k( 139) = ( 0.3236077 0.5055504 0.2576171), wk = 0.0025510 k( 140) = ( 0.3360542 0.5055504 0.2576171), wk = 0.0025510 k( 141) = ( 0.3485006 0.5055504 0.2576171), wk = 0.0025510 k( 142) = ( 0.3609471 0.5055504 0.2576171), wk = 0.0025510 k( 143) = ( 0.3733935 0.5055504 0.2576171), wk = 0.0025510 k( 144) = ( 0.3858400 0.5055504 0.2576171), wk = 0.0025510 k( 145) = ( 0.3982864 0.5055504 0.2576171), wk = 0.0025510 k( 146) = ( 0.4107329 0.5055504 0.2576171), wk = 0.0025510 k( 147) = ( 0.4231793 0.5055504 0.2576171), wk = 0.0025510 k( 148) = ( 0.4356258 0.5055504 0.2576171), wk = 0.0025510 k( 149) = ( 0.4356258 0.5055504 0.2576171), wk = 0.0025510 k( 150) = ( 0.4274064 0.4960117 0.2576171), wk = 0.0025510 k( 151) = ( 0.4191871 0.4864730 0.2576171), wk = 0.0025510 k( 152) = ( 0.4109677 0.4769343 0.2576171), wk = 0.0025510 k( 153) = ( 0.4027483 0.4673956 0.2576171), wk = 0.0025510 k( 154) = ( 0.3945290 0.4578569 0.2576171), wk = 0.0025510 k( 155) = ( 0.3863096 0.4483182 0.2576171), wk = 0.0025510 k( 156) = ( 0.3780903 0.4387796 0.2576171), wk = 0.0025510 k( 157) = ( 0.3698709 0.4292409 0.2576171), wk = 0.0025510 k( 158) = ( 0.3616516 0.4197022 0.2576171), wk = 0.0025510 k( 159) = ( 0.3534322 0.4101635 0.2576171), wk = 0.0025510 k( 160) = ( 0.3452129 0.4006248 0.2576171), wk = 0.0025510 k( 161) = ( 0.3369935 0.3910861 0.2576171), wk = 0.0025510 k( 162) = ( 0.3287742 0.3815475 0.2576171), wk = 0.0025510 k( 163) = ( 0.3205548 0.3720088 0.2576171), wk = 0.0025510 k( 164) = ( 0.3123355 0.3624701 0.2576171), wk = 0.0025510 k( 165) = ( 0.3041161 0.3529314 0.2576171), wk = 0.0025510 k( 166) = ( 0.2958967 0.3433927 0.2576171), wk = 0.0025510 k( 167) = ( 0.2876774 0.3338540 0.2576171), wk = 0.0025510 k( 168) = ( 0.2794580 0.3243153 0.2576171), wk = 0.0025510 k( 169) = ( 0.2712387 0.3147766 0.2576171), wk = 0.0025510 k( 170) = ( 0.2630193 0.3052380 0.2576171), wk = 0.0025510 k( 171) = ( 0.2548000 0.2956993 0.2576171), wk = 0.0025510 k( 172) = ( 0.2465806 0.2861606 0.2576171), wk = 0.0025510 k( 173) = ( 0.2383613 0.2766219 0.2576171), wk = 0.0025510 k( 174) = ( 0.2301419 0.2670832 0.2576171), wk = 0.0025510 k( 175) = ( 0.2219226 0.2575445 0.2576171), wk = 0.0025510 k( 176) = ( 0.2137032 0.2480058 0.2576171), wk = 0.0025510 k( 177) = ( 0.2054838 0.2384672 0.2576171), wk = 0.0025510 k( 178) = ( 0.1972645 0.2289285 0.2576171), wk = 0.0025510 k( 179) = ( 0.1890451 0.2193898 0.2576171), wk = 0.0025510 k( 180) = ( 0.1808258 0.2098511 0.2576171), wk = 0.0025510 k( 181) = ( 0.1726064 0.2003124 0.2576171), wk = 0.0025510 k( 182) = ( 0.1643871 0.1907737 0.2576171), wk = 0.0025510 k( 183) = ( 0.1561677 0.1812350 0.2576171), wk = 0.0025510 k( 184) = ( 0.1479484 0.1716963 0.2576171), wk = 0.0025510 k( 185) = ( 0.1397290 0.1621577 0.2576171), wk = 0.0025510 k( 186) = ( 0.1315097 0.1526190 0.2576171), wk = 0.0025510 k( 187) = ( 0.1232903 0.1430803 0.2576171), wk = 0.0025510 k( 188) = ( 0.1150710 0.1335416 0.2576171), wk = 0.0025510 k( 189) = ( 0.1068516 0.1240029 0.2576171), wk = 0.0025510 k( 190) = ( 0.0986323 0.1144642 0.2576171), wk = 0.0025510 k( 191) = ( 0.0904129 0.1049256 0.2576171), wk = 0.0025510 k( 192) = ( 0.0821935 0.0953869 0.2576171), wk = 0.0025510 k( 193) = ( 0.0739742 0.0858482 0.2576171), wk = 0.0025510 k( 194) = ( 0.0657548 0.0763095 0.2576171), wk = 0.0025510 k( 195) = ( 0.0575355 0.0667708 0.2576171), wk = 0.0025510 k( 196) = ( 0.0493161 0.0572321 0.2576171), wk = 0.0025510 k( 197) = ( 0.0410968 0.0476934 0.2576171), wk = 0.0025510 k( 198) = ( 0.0328774 0.0381547 0.2576171), wk = 0.0025510 k( 199) = ( 0.0246581 0.0286161 0.2576171), wk = 0.0025510 k( 200) = ( 0.0164387 0.0190774 0.2576171), wk = 0.0025510 k( 201) = ( 0.0082194 0.0095387 0.2576171), wk = 0.0025510 k( 202) = ( 0.0000000 0.0000000 0.2576171), wk = 0.0025510 k( 203) = ( 0.0000000 0.0000000 0.2576171), wk = 0.0025510 k( 204) = ( 0.0000000 0.0000000 0.2453496), wk = 0.0025510 k( 205) = ( 0.0000000 0.0000000 0.2330822), wk = 0.0025510 k( 206) = ( 0.0000000 0.0000000 0.2208147), wk = 0.0025510 k( 207) = ( 0.0000000 0.0000000 0.2085472), wk = 0.0025510 k( 208) = ( 0.0000000 0.0000000 0.1962797), wk = 0.0025510 k( 209) = ( 0.0000000 0.0000000 0.1840122), wk = 0.0025510 k( 210) = ( 0.0000000 0.0000000 0.1717448), wk = 0.0025510 k( 211) = ( 0.0000000 0.0000000 0.1594773), wk = 0.0025510 k( 212) = ( 0.0000000 0.0000000 0.1472098), wk = 0.0025510 k( 213) = ( 0.0000000 0.0000000 0.1349423), wk = 0.0025510 k( 214) = ( 0.0000000 0.0000000 0.1226748), wk = 0.0025510 k( 215) = ( 0.0000000 0.0000000 0.1104073), wk = 0.0025510 k( 216) = ( 0.0000000 0.0000000 0.0981399), wk = 0.0025510 k( 217) = ( 0.0000000 0.0000000 0.0858724), wk = 0.0025510 k( 218) = ( 0.0000000 0.0000000 0.0736049), wk = 0.0025510 k( 219) = ( 0.0000000 0.0000000 0.0613374), wk = 0.0025510 k( 220) = ( 0.0000000 0.0000000 0.0490699), wk = 0.0025510 k( 221) = ( 0.0000000 0.0000000 0.0368024), wk = 0.0025510 k( 222) = ( 0.0000000 0.0000000 0.0245350), wk = 0.0025510 k( 223) = ( 0.0000000 0.0000000 0.0122675), wk = 0.0025510 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 226) = ( -0.0096154 0.0082854 0.0000000), wk = 0.0025510 k( 227) = ( -0.0192308 0.0165709 0.0000000), wk = 0.0025510 k( 228) = ( -0.0288462 0.0248563 -0.0000000), wk = 0.0025510 k( 229) = ( -0.0384615 0.0331418 0.0000000), wk = 0.0025510 k( 230) = ( -0.0480769 0.0414272 -0.0000000), wk = 0.0025510 k( 231) = ( -0.0576923 0.0497127 0.0000000), wk = 0.0025510 k( 232) = ( -0.0673077 0.0579981 -0.0000000), wk = 0.0025510 k( 233) = ( -0.0769231 0.0662836 0.0000000), wk = 0.0025510 k( 234) = ( -0.0865385 0.0745690 -0.0000000), wk = 0.0025510 k( 235) = ( -0.0961538 0.0828544 0.0000000), wk = 0.0025510 k( 236) = ( -0.1057692 0.0911399 0.0000000), wk = 0.0025510 k( 237) = ( -0.1153846 0.0994253 0.0000000), wk = 0.0025510 k( 238) = ( -0.1250000 0.1077108 0.0000000), wk = 0.0025510 k( 239) = ( -0.1346154 0.1159962 -0.0000000), wk = 0.0025510 k( 240) = ( -0.1442308 0.1242817 0.0000000), wk = 0.0025510 k( 241) = ( -0.1538461 0.1325671 -0.0000000), wk = 0.0025510 k( 242) = ( -0.1634615 0.1408526 -0.0000000), wk = 0.0025510 k( 243) = ( -0.1730769 0.1491380 -0.0000000), wk = 0.0025510 k( 244) = ( -0.1826923 0.1574234 0.0000000), wk = 0.0025510 k( 245) = ( -0.1923077 0.1657089 -0.0000000), wk = 0.0025510 k( 246) = ( -0.2019231 0.1739943 0.0000000), wk = 0.0025510 k( 247) = ( -0.2115385 0.1822798 0.0000000), wk = 0.0025510 k( 248) = ( -0.2211539 0.1905652 0.0000000), wk = 0.0025510 k( 249) = ( -0.2307692 0.1988507 -0.0000000), wk = 0.0025510 k( 250) = ( -0.2403846 0.2071361 -0.0000000), wk = 0.0025510 k( 251) = ( -0.2500000 0.2154215 0.0000000), wk = 0.0025510 k( 252) = ( -0.2596154 0.2237070 0.0000000), wk = 0.0025510 k( 253) = ( -0.2692308 0.2319924 -0.0000000), wk = 0.0025510 k( 254) = ( -0.2788462 0.2402779 -0.0000000), wk = 0.0025510 k( 255) = ( -0.2884615 0.2485633 0.0000000), wk = 0.0025510 k( 256) = ( -0.2980769 0.2568488 -0.0000000), wk = 0.0025510 k( 257) = ( -0.3076923 0.2651342 -0.0000000), wk = 0.0025510 k( 258) = ( -0.3173077 0.2734197 -0.0000000), wk = 0.0025510 k( 259) = ( -0.3269231 0.2817051 -0.0000000), wk = 0.0025510 k( 260) = ( -0.3365385 0.2899905 0.0000000), wk = 0.0025510 k( 261) = ( -0.3461538 0.2982760 -0.0000000), wk = 0.0025510 k( 262) = ( -0.3557692 0.3065614 -0.0000000), wk = 0.0025510 k( 263) = ( -0.3653846 0.3148469 0.0000000), wk = 0.0025510 k( 264) = ( -0.3750000 0.3231323 0.0000000), wk = 0.0025510 k( 265) = ( -0.3846154 0.3314178 -0.0000000), wk = 0.0025510 k( 266) = ( -0.3942308 0.3397032 0.0000000), wk = 0.0025510 k( 267) = ( -0.4038462 0.3479886 0.0000000), wk = 0.0025510 k( 268) = ( -0.4134615 0.3562741 -0.0000000), wk = 0.0025510 k( 269) = ( -0.4230769 0.3645595 0.0000000), wk = 0.0025510 k( 270) = ( -0.4326923 0.3728450 0.0000000), wk = 0.0025510 k( 271) = ( -0.4423077 0.3811304 0.0000000), wk = 0.0025510 k( 272) = ( -0.4519231 0.3894159 0.0000000), wk = 0.0025510 k( 273) = ( -0.4615385 0.3977013 -0.0000000), wk = 0.0025510 k( 274) = ( -0.4711538 0.4059868 0.0000000), wk = 0.0025510 k( 275) = ( -0.4807692 0.4142722 -0.0000000), wk = 0.0025510 k( 276) = ( -0.4903846 0.4225577 0.0000000), wk = 0.0025510 k( 277) = ( -0.5000000 0.4308431 0.0000000), wk = 0.0025510 k( 278) = ( -0.5000000 0.4308431 0.0000000), wk = 0.0025510 k( 279) = ( -0.4919532 0.4401815 -0.0000000), wk = 0.0025510 k( 280) = ( -0.4839064 0.4495199 -0.0000000), wk = 0.0025510 k( 281) = ( -0.4758597 0.4588583 -0.0000000), wk = 0.0025510 k( 282) = ( -0.4678129 0.4681967 -0.0000000), wk = 0.0025510 k( 283) = ( -0.4597661 0.4775351 -0.0000000), wk = 0.0025510 k( 284) = ( -0.4517193 0.4868735 -0.0000000), wk = 0.0025510 k( 285) = ( -0.4436725 0.4962120 -0.0000000), wk = 0.0025510 k( 286) = ( -0.4356258 0.5055504 -0.0000000), wk = 0.0025510 k( 287) = ( -0.4356258 0.5055504 -0.0000000), wk = 0.0025510 k( 288) = ( -0.4356258 0.5055504 0.0122675), wk = 0.0025510 k( 289) = ( -0.4356258 0.5055504 0.0245350), wk = 0.0025510 k( 290) = ( -0.4356258 0.5055504 0.0368024), wk = 0.0025510 k( 291) = ( -0.4356258 0.5055504 0.0490699), wk = 0.0025510 k( 292) = ( -0.4356258 0.5055504 0.0613374), wk = 0.0025510 k( 293) = ( -0.4356258 0.5055504 0.0736049), wk = 0.0025510 k( 294) = ( -0.4356258 0.5055504 0.0858724), wk = 0.0025510 k( 295) = ( -0.4356258 0.5055504 0.0981399), wk = 0.0025510 k( 296) = ( -0.4356258 0.5055504 0.1104073), wk = 0.0025510 k( 297) = ( -0.4356258 0.5055504 0.1226748), wk = 0.0025510 k( 298) = ( -0.4356258 0.5055504 0.1349423), wk = 0.0025510 k( 299) = ( -0.4356258 0.5055504 0.1472098), wk = 0.0025510 k( 300) = ( -0.4356258 0.5055504 0.1594773), wk = 0.0025510 k( 301) = ( -0.4356258 0.5055504 0.1717448), wk = 0.0025510 k( 302) = ( -0.4356258 0.5055504 0.1840122), wk = 0.0025510 k( 303) = ( -0.4356258 0.5055504 0.1962797), wk = 0.0025510 k( 304) = ( -0.4356258 0.5055504 0.2085472), wk = 0.0025510 k( 305) = ( -0.4356258 0.5055504 0.2208147), wk = 0.0025510 k( 306) = ( -0.4356258 0.5055504 0.2330822), wk = 0.0025510 k( 307) = ( -0.4356258 0.5055504 0.2453496), wk = 0.0025510 k( 308) = ( -0.4356258 0.5055504 0.2576171), wk = 0.0025510 k( 309) = ( -0.4356258 0.5055504 0.2576171), wk = 0.0025510 k( 310) = ( -0.4436725 0.4962120 0.2576171), wk = 0.0025510 k( 311) = ( -0.4517193 0.4868735 0.2576171), wk = 0.0025510 k( 312) = ( -0.4597661 0.4775351 0.2576171), wk = 0.0025510 k( 313) = ( -0.4678129 0.4681967 0.2576171), wk = 0.0025510 k( 314) = ( -0.4758597 0.4588583 0.2576171), wk = 0.0025510 k( 315) = ( -0.4839064 0.4495199 0.2576171), wk = 0.0025510 k( 316) = ( -0.4919532 0.4401815 0.2576171), wk = 0.0025510 k( 317) = ( -0.5000000 0.4308431 0.2576171), wk = 0.0025510 k( 318) = ( -0.5000000 0.4308431 0.2576171), wk = 0.0025510 k( 319) = ( -0.5000000 0.4308431 0.2453496), wk = 0.0025510 k( 320) = ( -0.5000000 0.4308431 0.2330822), wk = 0.0025510 k( 321) = ( -0.5000000 0.4308431 0.2208147), wk = 0.0025510 k( 322) = ( -0.5000000 0.4308431 0.2085472), wk = 0.0025510 k( 323) = ( -0.5000000 0.4308431 0.1962797), wk = 0.0025510 k( 324) = ( -0.5000000 0.4308431 0.1840122), wk = 0.0025510 k( 325) = ( -0.5000000 0.4308431 0.1717448), wk = 0.0025510 k( 326) = ( -0.5000000 0.4308431 0.1594773), wk = 0.0025510 k( 327) = ( -0.5000000 0.4308431 0.1472098), wk = 0.0025510 k( 328) = ( -0.5000000 0.4308431 0.1349423), wk = 0.0025510 k( 329) = ( -0.5000000 0.4308431 0.1226748), wk = 0.0025510 k( 330) = ( -0.5000000 0.4308431 0.1104073), wk = 0.0025510 k( 331) = ( -0.5000000 0.4308431 0.0981399), wk = 0.0025510 k( 332) = ( -0.5000000 0.4308431 0.0858724), wk = 0.0025510 k( 333) = ( -0.5000000 0.4308431 0.0736049), wk = 0.0025510 k( 334) = ( -0.5000000 0.4308431 0.0613374), wk = 0.0025510 k( 335) = ( -0.5000000 0.4308431 0.0490699), wk = 0.0025510 k( 336) = ( -0.5000000 0.4308431 0.0368024), wk = 0.0025510 k( 337) = ( -0.5000000 0.4308431 0.0245350), wk = 0.0025510 k( 338) = ( -0.5000000 0.4308431 0.0122675), wk = 0.0025510 k( 339) = ( -0.5000000 0.4308431 0.0000000), wk = 0.0025510 k( 340) = ( 0.0000000 0.0000000 0.2576171), wk = 0.0025510 k( 341) = ( -0.0096154 0.0082854 0.2576171), wk = 0.0025510 k( 342) = ( -0.0192308 0.0165709 0.2576171), wk = 0.0025510 k( 343) = ( -0.0288462 0.0248563 0.2576171), wk = 0.0025510 k( 344) = ( -0.0384615 0.0331418 0.2576171), wk = 0.0025510 k( 345) = ( -0.0480769 0.0414272 0.2576171), wk = 0.0025510 k( 346) = ( -0.0576923 0.0497127 0.2576171), wk = 0.0025510 k( 347) = ( -0.0673077 0.0579981 0.2576171), wk = 0.0025510 k( 348) = ( -0.0769231 0.0662836 0.2576171), wk = 0.0025510 k( 349) = ( -0.0865385 0.0745690 0.2576171), wk = 0.0025510 k( 350) = ( -0.0961538 0.0828544 0.2576171), wk = 0.0025510 k( 351) = ( -0.1057692 0.0911399 0.2576171), wk = 0.0025510 k( 352) = ( -0.1153846 0.0994253 0.2576171), wk = 0.0025510 k( 353) = ( -0.1250000 0.1077108 0.2576171), wk = 0.0025510 k( 354) = ( -0.1346154 0.1159962 0.2576171), wk = 0.0025510 k( 355) = ( -0.1442308 0.1242817 0.2576171), wk = 0.0025510 k( 356) = ( -0.1538461 0.1325671 0.2576171), wk = 0.0025510 k( 357) = ( -0.1634615 0.1408526 0.2576171), wk = 0.0025510 k( 358) = ( -0.1730769 0.1491380 0.2576171), wk = 0.0025510 k( 359) = ( -0.1826923 0.1574234 0.2576171), wk = 0.0025510 k( 360) = ( -0.1923077 0.1657089 0.2576171), wk = 0.0025510 k( 361) = ( -0.2019231 0.1739943 0.2576171), wk = 0.0025510 k( 362) = ( -0.2115385 0.1822798 0.2576171), wk = 0.0025510 k( 363) = ( -0.2211539 0.1905652 0.2576171), wk = 0.0025510 k( 364) = ( -0.2307692 0.1988507 0.2576171), wk = 0.0025510 k( 365) = ( -0.2403846 0.2071361 0.2576171), wk = 0.0025510 k( 366) = ( -0.2500000 0.2154215 0.2576171), wk = 0.0025510 k( 367) = ( -0.2596154 0.2237070 0.2576171), wk = 0.0025510 k( 368) = ( -0.2692308 0.2319924 0.2576171), wk = 0.0025510 k( 369) = ( -0.2788462 0.2402779 0.2576171), wk = 0.0025510 k( 370) = ( -0.2884615 0.2485633 0.2576171), wk = 0.0025510 k( 371) = ( -0.2980769 0.2568488 0.2576171), wk = 0.0025510 k( 372) = ( -0.3076923 0.2651342 0.2576171), wk = 0.0025510 k( 373) = ( -0.3173077 0.2734197 0.2576171), wk = 0.0025510 k( 374) = ( -0.3269231 0.2817051 0.2576171), wk = 0.0025510 k( 375) = ( -0.3365385 0.2899905 0.2576171), wk = 0.0025510 k( 376) = ( -0.3461538 0.2982760 0.2576171), wk = 0.0025510 k( 377) = ( -0.3557692 0.3065614 0.2576171), wk = 0.0025510 k( 378) = ( -0.3653846 0.3148469 0.2576171), wk = 0.0025510 k( 379) = ( -0.3750000 0.3231323 0.2576171), wk = 0.0025510 k( 380) = ( -0.3846154 0.3314178 0.2576171), wk = 0.0025510 k( 381) = ( -0.3942308 0.3397032 0.2576171), wk = 0.0025510 k( 382) = ( -0.4038462 0.3479886 0.2576171), wk = 0.0025510 k( 383) = ( -0.4134615 0.3562741 0.2576171), wk = 0.0025510 k( 384) = ( -0.4230769 0.3645595 0.2576171), wk = 0.0025510 k( 385) = ( -0.4326923 0.3728450 0.2576171), wk = 0.0025510 k( 386) = ( -0.4423077 0.3811304 0.2576171), wk = 0.0025510 k( 387) = ( -0.4519231 0.3894159 0.2576171), wk = 0.0025510 k( 388) = ( -0.4615385 0.3977013 0.2576171), wk = 0.0025510 k( 389) = ( -0.4711538 0.4059868 0.2576171), wk = 0.0025510 k( 390) = ( -0.4807692 0.4142722 0.2576171), wk = 0.0025510 k( 391) = ( -0.4903846 0.4225577 0.2576171), wk = 0.0025510 k( 392) = ( -0.5000000 0.4308431 0.2576171), wk = 0.0025510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0082194 0.0082194 0.0000000), wk = 0.0025510 k( 3) = ( 0.0164387 0.0164387 -0.0000000), wk = 0.0025510 k( 4) = ( 0.0246581 0.0246581 0.0000000), wk = 0.0025510 k( 5) = ( 0.0328774 0.0328774 -0.0000000), wk = 0.0025510 k( 6) = ( 0.0410968 0.0410968 0.0000000), wk = 0.0025510 k( 7) = ( 0.0493161 0.0493161 0.0000000), wk = 0.0025510 k( 8) = ( 0.0575355 0.0575355 -0.0000000), wk = 0.0025510 k( 9) = ( 0.0657548 0.0657548 -0.0000000), wk = 0.0025510 k( 10) = ( 0.0739742 0.0739742 -0.0000000), wk = 0.0025510 k( 11) = ( 0.0821935 0.0821935 0.0000000), wk = 0.0025510 k( 12) = ( 0.0904129 0.0904129 0.0000000), wk = 0.0025510 k( 13) = ( 0.0986323 0.0986323 0.0000000), wk = 0.0025510 k( 14) = ( 0.1068516 0.1068516 -0.0000000), wk = 0.0025510 k( 15) = ( 0.1150710 0.1150710 -0.0000000), wk = 0.0025510 k( 16) = ( 0.1232903 0.1232903 -0.0000000), wk = 0.0025510 k( 17) = ( 0.1315097 0.1315097 0.0000000), wk = 0.0025510 k( 18) = ( 0.1397290 0.1397290 -0.0000000), wk = 0.0025510 k( 19) = ( 0.1479484 0.1479484 0.0000000), wk = 0.0025510 k( 20) = ( 0.1561677 0.1561677 0.0000000), wk = 0.0025510 k( 21) = ( 0.1643871 0.1643871 0.0000000), wk = 0.0025510 k( 22) = ( 0.1726064 0.1726064 0.0000000), wk = 0.0025510 k( 23) = ( 0.1808258 0.1808258 0.0000000), wk = 0.0025510 k( 24) = ( 0.1890451 0.1890451 0.0000000), wk = 0.0025510 k( 25) = ( 0.1972645 0.1972645 0.0000000), wk = 0.0025510 k( 26) = ( 0.2054838 0.2054838 0.0000000), wk = 0.0025510 k( 27) = ( 0.2137032 0.2137032 -0.0000000), wk = 0.0025510 k( 28) = ( 0.2219226 0.2219226 0.0000000), wk = 0.0025510 k( 29) = ( 0.2301419 0.2301419 -0.0000000), wk = 0.0025510 k( 30) = ( 0.2383613 0.2383613 -0.0000000), wk = 0.0025510 k( 31) = ( 0.2465806 0.2465806 -0.0000000), wk = 0.0025510 k( 32) = ( 0.2548000 0.2548000 0.0000000), wk = 0.0025510 k( 33) = ( 0.2630193 0.2630193 0.0000000), wk = 0.0025510 k( 34) = ( 0.2712387 0.2712387 -0.0000000), wk = 0.0025510 k( 35) = ( 0.2794580 0.2794580 -0.0000000), wk = 0.0025510 k( 36) = ( 0.2876774 0.2876774 0.0000000), wk = 0.0025510 k( 37) = ( 0.2958967 0.2958967 0.0000000), wk = 0.0025510 k( 38) = ( 0.3041161 0.3041161 0.0000000), wk = 0.0025510 k( 39) = ( 0.3123355 0.3123355 0.0000000), wk = 0.0025510 k( 40) = ( 0.3205548 0.3205548 0.0000000), wk = 0.0025510 k( 41) = ( 0.3287742 0.3287742 -0.0000000), wk = 0.0025510 k( 42) = ( 0.3369935 0.3369935 -0.0000000), wk = 0.0025510 k( 43) = ( 0.3452129 0.3452129 0.0000000), wk = 0.0025510 k( 44) = ( 0.3534322 0.3534322 -0.0000000), wk = 0.0025510 k( 45) = ( 0.3616516 0.3616516 0.0000000), wk = 0.0025510 k( 46) = ( 0.3698709 0.3698709 0.0000000), wk = 0.0025510 k( 47) = ( 0.3780903 0.3780903 -0.0000000), wk = 0.0025510 k( 48) = ( 0.3863096 0.3863096 -0.0000000), wk = 0.0025510 k( 49) = ( 0.3945290 0.3945290 0.0000000), wk = 0.0025510 k( 50) = ( 0.4027483 0.4027484 0.0000000), wk = 0.0025510 k( 51) = ( 0.4109677 0.4109677 0.0000000), wk = 0.0025510 k( 52) = ( 0.4191871 0.4191871 -0.0000000), wk = 0.0025510 k( 53) = ( 0.4274064 0.4274064 -0.0000000), wk = 0.0025510 k( 54) = ( 0.4356258 0.4356258 0.0000000), wk = 0.0025510 k( 55) = ( 0.4356258 0.4356258 0.0000000), wk = 0.0025510 k( 56) = ( 0.4231793 0.4374650 0.0000000), wk = 0.0025510 k( 57) = ( 0.4107329 0.4393043 0.0000000), wk = 0.0025510 k( 58) = ( 0.3982864 0.4411436 -0.0000000), wk = 0.0025510 k( 59) = ( 0.3858400 0.4429828 0.0000000), wk = 0.0025510 k( 60) = ( 0.3733935 0.4448221 0.0000000), wk = 0.0025510 k( 61) = ( 0.3609471 0.4466614 0.0000000), wk = 0.0025510 k( 62) = ( 0.3485006 0.4485006 -0.0000000), wk = 0.0025510 k( 63) = ( 0.3360542 0.4503399 -0.0000000), wk = 0.0025510 k( 64) = ( 0.3236077 0.4521791 0.0000000), wk = 0.0025510 k( 65) = ( 0.3111613 0.4540184 -0.0000000), wk = 0.0025510 k( 66) = ( 0.2987148 0.4558577 0.0000000), wk = 0.0025510 k( 67) = ( 0.2862684 0.4576969 0.0000000), wk = 0.0025510 k( 68) = ( 0.2738219 0.4595362 -0.0000000), wk = 0.0025510 k( 69) = ( 0.2613755 0.4613755 0.0000000), wk = 0.0025510 k( 70) = ( 0.2489290 0.4632147 -0.0000000), wk = 0.0025510 k( 71) = ( 0.2364826 0.4650540 -0.0000000), wk = 0.0025510 k( 72) = ( 0.2240361 0.4668933 0.0000000), wk = 0.0025510 k( 73) = ( 0.2115897 0.4687325 -0.0000000), wk = 0.0025510 k( 74) = ( 0.1991432 0.4705718 -0.0000000), wk = 0.0025510 k( 75) = ( 0.1866968 0.4724110 0.0000000), wk = 0.0025510 k( 76) = ( 0.1742503 0.4742503 -0.0000000), wk = 0.0025510 k( 77) = ( 0.1618039 0.4760896 0.0000000), wk = 0.0025510 k( 78) = ( 0.1493574 0.4779288 0.0000000), wk = 0.0025510 k( 79) = ( 0.1369110 0.4797681 0.0000000), wk = 0.0025510 k( 80) = ( 0.1244645 0.4816074 -0.0000000), wk = 0.0025510 k( 81) = ( 0.1120181 0.4834466 0.0000000), wk = 0.0025510 k( 82) = ( 0.0995716 0.4852859 -0.0000000), wk = 0.0025510 k( 83) = ( 0.0871251 0.4871252 -0.0000000), wk = 0.0025510 k( 84) = ( 0.0746787 0.4889644 0.0000000), wk = 0.0025510 k( 85) = ( 0.0622323 0.4908037 -0.0000000), wk = 0.0025510 k( 86) = ( 0.0497858 0.4926429 0.0000000), wk = 0.0025510 k( 87) = ( 0.0373394 0.4944822 -0.0000000), wk = 0.0025510 k( 88) = ( 0.0248929 0.4963215 0.0000000), wk = 0.0025510 k( 89) = ( 0.0124464 0.4981607 0.0000000), wk = 0.0025510 k( 90) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 91) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 92) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0025510 k( 93) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0025510 k( 94) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0025510 k( 95) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0025510 k( 96) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0025510 k( 97) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0025510 k( 98) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025510 k( 99) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0025510 k( 100) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0025510 k( 101) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0025510 k( 102) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0025510 k( 103) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0025510 k( 104) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0025510 k( 105) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025510 k( 106) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0025510 k( 107) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0025510 k( 108) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0025510 k( 109) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0025510 k( 110) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0025510 k( 111) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0025510 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 113) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 114) = ( 0.0124464 0.4981607 0.5000000), wk = 0.0025510 k( 115) = ( 0.0248929 0.4963215 0.5000000), wk = 0.0025510 k( 116) = ( 0.0373394 0.4944822 0.5000000), wk = 0.0025510 k( 117) = ( 0.0497858 0.4926429 0.5000000), wk = 0.0025510 k( 118) = ( 0.0622323 0.4908037 0.5000000), wk = 0.0025510 k( 119) = ( 0.0746787 0.4889644 0.5000000), wk = 0.0025510 k( 120) = ( 0.0871251 0.4871252 0.5000000), wk = 0.0025510 k( 121) = ( 0.0995716 0.4852859 0.5000000), wk = 0.0025510 k( 122) = ( 0.1120181 0.4834466 0.5000000), wk = 0.0025510 k( 123) = ( 0.1244645 0.4816074 0.5000000), wk = 0.0025510 k( 124) = ( 0.1369110 0.4797681 0.5000000), wk = 0.0025510 k( 125) = ( 0.1493574 0.4779288 0.5000000), wk = 0.0025510 k( 126) = ( 0.1618039 0.4760896 0.5000000), wk = 0.0025510 k( 127) = ( 0.1742503 0.4742503 0.5000000), wk = 0.0025510 k( 128) = ( 0.1866968 0.4724110 0.5000000), wk = 0.0025510 k( 129) = ( 0.1991432 0.4705718 0.5000000), wk = 0.0025510 k( 130) = ( 0.2115897 0.4687325 0.5000000), wk = 0.0025510 k( 131) = ( 0.2240361 0.4668933 0.5000000), wk = 0.0025510 k( 132) = ( 0.2364826 0.4650540 0.5000000), wk = 0.0025510 k( 133) = ( 0.2489290 0.4632147 0.5000000), wk = 0.0025510 k( 134) = ( 0.2613755 0.4613755 0.5000000), wk = 0.0025510 k( 135) = ( 0.2738219 0.4595362 0.5000000), wk = 0.0025510 k( 136) = ( 0.2862684 0.4576969 0.5000000), wk = 0.0025510 k( 137) = ( 0.2987148 0.4558577 0.5000000), wk = 0.0025510 k( 138) = ( 0.3111613 0.4540184 0.5000000), wk = 0.0025510 k( 139) = ( 0.3236077 0.4521791 0.5000000), wk = 0.0025510 k( 140) = ( 0.3360542 0.4503399 0.5000000), wk = 0.0025510 k( 141) = ( 0.3485006 0.4485006 0.5000000), wk = 0.0025510 k( 142) = ( 0.3609471 0.4466614 0.5000000), wk = 0.0025510 k( 143) = ( 0.3733935 0.4448221 0.5000000), wk = 0.0025510 k( 144) = ( 0.3858400 0.4429828 0.5000000), wk = 0.0025510 k( 145) = ( 0.3982864 0.4411436 0.5000000), wk = 0.0025510 k( 146) = ( 0.4107329 0.4393043 0.5000000), wk = 0.0025510 k( 147) = ( 0.4231793 0.4374650 0.5000000), wk = 0.0025510 k( 148) = ( 0.4356258 0.4356258 0.5000000), wk = 0.0025510 k( 149) = ( 0.4356258 0.4356258 0.5000000), wk = 0.0025510 k( 150) = ( 0.4274064 0.4274064 0.5000000), wk = 0.0025510 k( 151) = ( 0.4191871 0.4191871 0.5000000), wk = 0.0025510 k( 152) = ( 0.4109677 0.4109677 0.5000000), wk = 0.0025510 k( 153) = ( 0.4027483 0.4027484 0.5000000), wk = 0.0025510 k( 154) = ( 0.3945290 0.3945290 0.5000000), wk = 0.0025510 k( 155) = ( 0.3863096 0.3863096 0.5000000), wk = 0.0025510 k( 156) = ( 0.3780903 0.3780903 0.5000000), wk = 0.0025510 k( 157) = ( 0.3698709 0.3698709 0.5000000), wk = 0.0025510 k( 158) = ( 0.3616516 0.3616516 0.5000000), wk = 0.0025510 k( 159) = ( 0.3534322 0.3534322 0.5000000), wk = 0.0025510 k( 160) = ( 0.3452129 0.3452129 0.5000000), wk = 0.0025510 k( 161) = ( 0.3369935 0.3369935 0.5000000), wk = 0.0025510 k( 162) = ( 0.3287742 0.3287742 0.5000000), wk = 0.0025510 k( 163) = ( 0.3205548 0.3205548 0.5000000), wk = 0.0025510 k( 164) = ( 0.3123355 0.3123355 0.5000000), wk = 0.0025510 k( 165) = ( 0.3041161 0.3041161 0.5000000), wk = 0.0025510 k( 166) = ( 0.2958967 0.2958967 0.5000000), wk = 0.0025510 k( 167) = ( 0.2876774 0.2876774 0.5000000), wk = 0.0025510 k( 168) = ( 0.2794580 0.2794580 0.5000000), wk = 0.0025510 k( 169) = ( 0.2712387 0.2712387 0.5000000), wk = 0.0025510 k( 170) = ( 0.2630193 0.2630193 0.5000000), wk = 0.0025510 k( 171) = ( 0.2548000 0.2548000 0.5000000), wk = 0.0025510 k( 172) = ( 0.2465806 0.2465806 0.5000000), wk = 0.0025510 k( 173) = ( 0.2383613 0.2383613 0.5000000), wk = 0.0025510 k( 174) = ( 0.2301419 0.2301419 0.5000000), wk = 0.0025510 k( 175) = ( 0.2219226 0.2219226 0.5000000), wk = 0.0025510 k( 176) = ( 0.2137032 0.2137032 0.5000000), wk = 0.0025510 k( 177) = ( 0.2054838 0.2054838 0.5000000), wk = 0.0025510 k( 178) = ( 0.1972645 0.1972645 0.5000000), wk = 0.0025510 k( 179) = ( 0.1890451 0.1890451 0.5000000), wk = 0.0025510 k( 180) = ( 0.1808258 0.1808258 0.5000000), wk = 0.0025510 k( 181) = ( 0.1726064 0.1726064 0.5000000), wk = 0.0025510 k( 182) = ( 0.1643871 0.1643871 0.5000000), wk = 0.0025510 k( 183) = ( 0.1561677 0.1561677 0.5000000), wk = 0.0025510 k( 184) = ( 0.1479484 0.1479484 0.5000000), wk = 0.0025510 k( 185) = ( 0.1397290 0.1397290 0.5000000), wk = 0.0025510 k( 186) = ( 0.1315097 0.1315097 0.5000000), wk = 0.0025510 k( 187) = ( 0.1232903 0.1232903 0.5000000), wk = 0.0025510 k( 188) = ( 0.1150710 0.1150710 0.5000000), wk = 0.0025510 k( 189) = ( 0.1068516 0.1068516 0.5000000), wk = 0.0025510 k( 190) = ( 0.0986323 0.0986323 0.5000000), wk = 0.0025510 k( 191) = ( 0.0904129 0.0904129 0.5000000), wk = 0.0025510 k( 192) = ( 0.0821935 0.0821935 0.5000000), wk = 0.0025510 k( 193) = ( 0.0739742 0.0739742 0.5000000), wk = 0.0025510 k( 194) = ( 0.0657548 0.0657548 0.5000000), wk = 0.0025510 k( 195) = ( 0.0575355 0.0575355 0.5000000), wk = 0.0025510 k( 196) = ( 0.0493161 0.0493161 0.5000000), wk = 0.0025510 k( 197) = ( 0.0410968 0.0410968 0.5000000), wk = 0.0025510 k( 198) = ( 0.0328774 0.0328774 0.5000000), wk = 0.0025510 k( 199) = ( 0.0246581 0.0246581 0.5000000), wk = 0.0025510 k( 200) = ( 0.0164387 0.0164387 0.5000000), wk = 0.0025510 k( 201) = ( 0.0082194 0.0082194 0.5000000), wk = 0.0025510 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 204) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0025510 k( 205) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0025510 k( 206) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025510 k( 207) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0025510 k( 208) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0025510 k( 209) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025510 k( 210) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025510 k( 211) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0025510 k( 212) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025510 k( 213) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0025510 k( 214) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0025510 k( 215) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025510 k( 216) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0025510 k( 217) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025510 k( 218) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025510 k( 219) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0025510 k( 220) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0025510 k( 221) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025510 k( 222) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0025510 k( 223) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0025510 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 226) = ( -0.0096154 0.0096154 -0.0000000), wk = 0.0025510 k( 227) = ( -0.0192308 0.0192308 0.0000000), wk = 0.0025510 k( 228) = ( -0.0288462 0.0288462 0.0000000), wk = 0.0025510 k( 229) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0025510 k( 230) = ( -0.0480769 0.0480769 -0.0000000), wk = 0.0025510 k( 231) = ( -0.0576923 0.0576923 0.0000000), wk = 0.0025510 k( 232) = ( -0.0673077 0.0673077 -0.0000000), wk = 0.0025510 k( 233) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0025510 k( 234) = ( -0.0865385 0.0865385 0.0000000), wk = 0.0025510 k( 235) = ( -0.0961538 0.0961538 -0.0000000), wk = 0.0025510 k( 236) = ( -0.1057692 0.1057692 -0.0000000), wk = 0.0025510 k( 237) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0025510 k( 238) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0025510 k( 239) = ( -0.1346154 0.1346154 -0.0000000), wk = 0.0025510 k( 240) = ( -0.1442308 0.1442308 0.0000000), wk = 0.0025510 k( 241) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0025510 k( 242) = ( -0.1634615 0.1634615 0.0000000), wk = 0.0025510 k( 243) = ( -0.1730769 0.1730769 0.0000000), wk = 0.0025510 k( 244) = ( -0.1826923 0.1826923 -0.0000000), wk = 0.0025510 k( 245) = ( -0.1923077 0.1923077 0.0000000), wk = 0.0025510 k( 246) = ( -0.2019231 0.2019231 0.0000000), wk = 0.0025510 k( 247) = ( -0.2115385 0.2115385 -0.0000000), wk = 0.0025510 k( 248) = ( -0.2211539 0.2211539 -0.0000000), wk = 0.0025510 k( 249) = ( -0.2307692 0.2307692 0.0000000), wk = 0.0025510 k( 250) = ( -0.2403846 0.2403846 -0.0000000), wk = 0.0025510 k( 251) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0025510 k( 252) = ( -0.2596154 0.2596154 0.0000000), wk = 0.0025510 k( 253) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0025510 k( 254) = ( -0.2788462 0.2788461 -0.0000000), wk = 0.0025510 k( 255) = ( -0.2884615 0.2884615 0.0000000), wk = 0.0025510 k( 256) = ( -0.2980769 0.2980769 -0.0000000), wk = 0.0025510 k( 257) = ( -0.3076923 0.3076923 -0.0000000), wk = 0.0025510 k( 258) = ( -0.3173077 0.3173077 -0.0000000), wk = 0.0025510 k( 259) = ( -0.3269231 0.3269231 0.0000000), wk = 0.0025510 k( 260) = ( -0.3365385 0.3365385 0.0000000), wk = 0.0025510 k( 261) = ( -0.3461538 0.3461538 0.0000000), wk = 0.0025510 k( 262) = ( -0.3557692 0.3557692 -0.0000000), wk = 0.0025510 k( 263) = ( -0.3653846 0.3653846 -0.0000000), wk = 0.0025510 k( 264) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0025510 k( 265) = ( -0.3846154 0.3846154 0.0000000), wk = 0.0025510 k( 266) = ( -0.3942308 0.3942308 0.0000000), wk = 0.0025510 k( 267) = ( -0.4038462 0.4038462 0.0000000), wk = 0.0025510 k( 268) = ( -0.4134615 0.4134615 -0.0000000), wk = 0.0025510 k( 269) = ( -0.4230769 0.4230769 -0.0000000), wk = 0.0025510 k( 270) = ( -0.4326923 0.4326923 0.0000000), wk = 0.0025510 k( 271) = ( -0.4423077 0.4423077 -0.0000000), wk = 0.0025510 k( 272) = ( -0.4519231 0.4519231 0.0000000), wk = 0.0025510 k( 273) = ( -0.4615385 0.4615385 0.0000000), wk = 0.0025510 k( 274) = ( -0.4711538 0.4711538 0.0000000), wk = 0.0025510 k( 275) = ( -0.4807692 0.4807692 -0.0000000), wk = 0.0025510 k( 276) = ( -0.4903846 0.4903846 -0.0000000), wk = 0.0025510 k( 277) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 278) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 279) = ( -0.4919532 0.5080468 0.0000000), wk = 0.0025510 k( 280) = ( -0.4839064 0.5160936 -0.0000000), wk = 0.0025510 k( 281) = ( -0.4758597 0.5241403 0.0000000), wk = 0.0025510 k( 282) = ( -0.4678129 0.5321871 -0.0000000), wk = 0.0025510 k( 283) = ( -0.4597661 0.5402339 0.0000000), wk = 0.0025510 k( 284) = ( -0.4517193 0.5482807 -0.0000000), wk = 0.0025510 k( 285) = ( -0.4436725 0.5563274 -0.0000000), wk = 0.0025510 k( 286) = ( -0.4356258 0.5643742 0.0000000), wk = 0.0025510 k( 287) = ( -0.4356258 0.5643742 0.0000000), wk = 0.0025510 k( 288) = ( -0.4356258 0.5643742 0.0238095), wk = 0.0025510 k( 289) = ( -0.4356258 0.5643742 0.0476191), wk = 0.0025510 k( 290) = ( -0.4356258 0.5643742 0.0714286), wk = 0.0025510 k( 291) = ( -0.4356258 0.5643742 0.0952381), wk = 0.0025510 k( 292) = ( -0.4356258 0.5643742 0.1190476), wk = 0.0025510 k( 293) = ( -0.4356258 0.5643742 0.1428571), wk = 0.0025510 k( 294) = ( -0.4356258 0.5643742 0.1666667), wk = 0.0025510 k( 295) = ( -0.4356258 0.5643742 0.1904762), wk = 0.0025510 k( 296) = ( -0.4356258 0.5643742 0.2142857), wk = 0.0025510 k( 297) = ( -0.4356258 0.5643742 0.2380952), wk = 0.0025510 k( 298) = ( -0.4356258 0.5643742 0.2619048), wk = 0.0025510 k( 299) = ( -0.4356258 0.5643742 0.2857143), wk = 0.0025510 k( 300) = ( -0.4356258 0.5643742 0.3095238), wk = 0.0025510 k( 301) = ( -0.4356258 0.5643742 0.3333333), wk = 0.0025510 k( 302) = ( -0.4356258 0.5643742 0.3571429), wk = 0.0025510 k( 303) = ( -0.4356258 0.5643742 0.3809524), wk = 0.0025510 k( 304) = ( -0.4356258 0.5643742 0.4047619), wk = 0.0025510 k( 305) = ( -0.4356258 0.5643742 0.4285714), wk = 0.0025510 k( 306) = ( -0.4356258 0.5643742 0.4523810), wk = 0.0025510 k( 307) = ( -0.4356258 0.5643742 0.4761905), wk = 0.0025510 k( 308) = ( -0.4356258 0.5643742 0.5000000), wk = 0.0025510 k( 309) = ( -0.4356258 0.5643742 0.5000000), wk = 0.0025510 k( 310) = ( -0.4436725 0.5563274 0.5000000), wk = 0.0025510 k( 311) = ( -0.4517193 0.5482807 0.5000000), wk = 0.0025510 k( 312) = ( -0.4597661 0.5402339 0.5000000), wk = 0.0025510 k( 313) = ( -0.4678129 0.5321871 0.5000000), wk = 0.0025510 k( 314) = ( -0.4758597 0.5241403 0.5000000), wk = 0.0025510 k( 315) = ( -0.4839064 0.5160936 0.5000000), wk = 0.0025510 k( 316) = ( -0.4919532 0.5080468 0.5000000), wk = 0.0025510 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 319) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0025510 k( 320) = ( -0.5000000 0.5000000 0.4523810), wk = 0.0025510 k( 321) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0025510 k( 322) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0025510 k( 323) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0025510 k( 324) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0025510 k( 325) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0025510 k( 326) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0025510 k( 327) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0025510 k( 328) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0025510 k( 329) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0025510 k( 330) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0025510 k( 331) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0025510 k( 332) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0025510 k( 333) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0025510 k( 334) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0025510 k( 335) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0025510 k( 336) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0025510 k( 337) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0025510 k( 338) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0025510 k( 339) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 340) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 341) = ( -0.0096154 0.0096154 0.5000000), wk = 0.0025510 k( 342) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0025510 k( 343) = ( -0.0288462 0.0288462 0.5000000), wk = 0.0025510 k( 344) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0025510 k( 345) = ( -0.0480769 0.0480769 0.5000000), wk = 0.0025510 k( 346) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0025510 k( 347) = ( -0.0673077 0.0673077 0.5000000), wk = 0.0025510 k( 348) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0025510 k( 349) = ( -0.0865385 0.0865385 0.5000000), wk = 0.0025510 k( 350) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0025510 k( 351) = ( -0.1057692 0.1057692 0.5000000), wk = 0.0025510 k( 352) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0025510 k( 353) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025510 k( 354) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0025510 k( 355) = ( -0.1442308 0.1442308 0.5000000), wk = 0.0025510 k( 356) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0025510 k( 357) = ( -0.1634615 0.1634615 0.5000000), wk = 0.0025510 k( 358) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0025510 k( 359) = ( -0.1826923 0.1826923 0.5000000), wk = 0.0025510 k( 360) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0025510 k( 361) = ( -0.2019231 0.2019231 0.5000000), wk = 0.0025510 k( 362) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0025510 k( 363) = ( -0.2211539 0.2211539 0.5000000), wk = 0.0025510 k( 364) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0025510 k( 365) = ( -0.2403846 0.2403846 0.5000000), wk = 0.0025510 k( 366) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025510 k( 367) = ( -0.2596154 0.2596154 0.5000000), wk = 0.0025510 k( 368) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0025510 k( 369) = ( -0.2788462 0.2788461 0.5000000), wk = 0.0025510 k( 370) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0025510 k( 371) = ( -0.2980769 0.2980769 0.5000000), wk = 0.0025510 k( 372) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0025510 k( 373) = ( -0.3173077 0.3173077 0.5000000), wk = 0.0025510 k( 374) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0025510 k( 375) = ( -0.3365385 0.3365385 0.5000000), wk = 0.0025510 k( 376) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0025510 k( 377) = ( -0.3557692 0.3557692 0.5000000), wk = 0.0025510 k( 378) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0025510 k( 379) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025510 k( 380) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0025510 k( 381) = ( -0.3942308 0.3942308 0.5000000), wk = 0.0025510 k( 382) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0025510 k( 383) = ( -0.4134615 0.4134615 0.5000000), wk = 0.0025510 k( 384) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0025510 k( 385) = ( -0.4326923 0.4326923 0.5000000), wk = 0.0025510 k( 386) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0025510 k( 387) = ( -0.4519231 0.4519231 0.5000000), wk = 0.0025510 k( 388) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0025510 k( 389) = ( -0.4711538 0.4711538 0.5000000), wk = 0.0025510 k( 390) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0025510 k( 391) = ( -0.4903846 0.4903846 0.5000000), wk = 0.0025510 k( 392) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 Dense grid: 83213 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 35195 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 264, 40) NL pseudopotentials 0.19 Mb ( 132, 96) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2315) G-vector shells 0.01 Mb ( 1171) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 264, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./H3C2N.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.8 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 8.1 secs Computing kpt #: 18 total cpu time spent up to now is 8.4 secs Computing kpt #: 19 total cpu time spent up to now is 8.8 secs Computing kpt #: 20 total cpu time spent up to now is 9.2 secs Computing kpt #: 21 total cpu time spent up to now is 9.5 secs Computing kpt #: 22 total cpu time spent up to now is 9.9 secs Computing kpt #: 23 total cpu time spent up to now is 10.3 secs Computing kpt #: 24 total cpu time spent up to now is 10.6 secs Computing kpt #: 25 total cpu time spent up to now is 11.0 secs Computing kpt #: 26 total cpu time spent up to now is 11.3 secs Computing kpt #: 27 total cpu time spent up to now is 11.7 secs Computing kpt #: 28 total cpu time spent up to now is 12.1 secs Computing kpt #: 29 total cpu time spent up to now is 12.5 secs Computing kpt #: 30 total cpu time spent up to now is 12.9 secs Computing kpt #: 31 total cpu time spent up to now is 13.2 secs Computing kpt #: 32 total cpu time spent up to now is 13.6 secs Computing kpt #: 33 total cpu time spent up to now is 13.9 secs Computing kpt #: 34 total cpu time spent up to now is 14.3 secs Computing kpt #: 35 total cpu time spent up to now is 14.6 secs Computing kpt #: 36 total cpu time spent up to now is 14.9 secs Computing kpt #: 37 total cpu time spent up to now is 15.3 secs Computing kpt #: 38 total cpu time spent up to now is 15.6 secs Computing kpt #: 39 total cpu time spent up to now is 16.0 secs Computing kpt #: 40 total cpu time spent up to now is 16.3 secs Computing kpt #: 41 total cpu time spent up to now is 16.7 secs Computing kpt #: 42 total cpu time spent up to now is 17.0 secs Computing kpt #: 43 total cpu time spent up to now is 17.3 secs Computing kpt #: 44 total cpu time spent up to now is 17.7 secs Computing kpt #: 45 total cpu time spent up to now is 18.1 secs Computing kpt #: 46 total cpu time spent up to now is 18.4 secs Computing kpt #: 47 total cpu time spent up to now is 18.8 secs Computing kpt #: 48 total cpu time spent up to now is 19.1 secs Computing kpt #: 49 total cpu time spent up to now is 19.5 secs Computing kpt #: 50 total cpu time spent up to now is 19.8 secs Computing kpt #: 51 total cpu time spent up to now is 20.2 secs Computing kpt #: 52 total cpu time spent up to now is 20.5 secs Computing kpt #: 53 total cpu time spent up to now is 20.9 secs Computing kpt #: 54 total cpu time spent up to now is 21.3 secs Computing kpt #: 55 total cpu time spent up to now is 21.7 secs Computing kpt #: 56 total cpu time spent up to now is 22.1 secs Computing kpt #: 57 total cpu time spent up to now is 22.5 secs Computing kpt #: 58 total cpu time spent up to now is 22.9 secs Computing kpt #: 59 total cpu time spent up to now is 23.3 secs Computing kpt #: 60 total cpu time spent up to now is 23.7 secs Computing kpt #: 61 total cpu time spent up to now is 24.1 secs Computing kpt #: 62 total cpu time spent up to now is 24.5 secs Computing kpt #: 63 total cpu time spent up to now is 24.8 secs Computing kpt #: 64 total cpu time spent up to now is 25.2 secs Computing kpt #: 65 total cpu time spent up to now is 25.6 secs Computing kpt #: 66 total cpu time spent up to now is 25.9 secs Computing kpt #: 67 total cpu time spent up to now is 26.3 secs Computing kpt #: 68 total cpu time spent up to now is 26.6 secs Computing kpt #: 69 total cpu time spent up to now is 27.0 secs Computing kpt #: 70 total cpu time spent up to now is 27.3 secs Computing kpt #: 71 total cpu time spent up to now is 27.7 secs Computing kpt #: 72 total cpu time spent up to now is 28.0 secs Computing kpt #: 73 total cpu time spent up to now is 28.4 secs Computing kpt #: 74 total cpu time spent up to now is 28.7 secs Computing kpt #: 75 total cpu time spent up to now is 29.1 secs Computing kpt #: 76 total cpu time spent up to now is 29.5 secs Computing kpt #: 77 total cpu time spent up to now is 29.8 secs Computing kpt #: 78 total cpu time spent up to now is 30.2 secs Computing kpt #: 79 total cpu time spent up to now is 30.5 secs Computing kpt #: 80 total cpu time spent up to now is 30.9 secs Computing kpt #: 81 total cpu time spent up to now is 31.3 secs Computing kpt #: 82 total cpu time spent up to now is 31.6 secs Computing kpt #: 83 total cpu time spent up to now is 32.0 secs Computing kpt #: 84 total cpu time spent up to now is 32.4 secs Computing kpt #: 85 total cpu time spent up to now is 32.8 secs Computing kpt #: 86 total cpu 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Computing kpt #: 102 total cpu time spent up to now is 38.8 secs Computing kpt #: 103 total cpu time spent up to now is 39.1 secs Computing kpt #: 104 total cpu time spent up to now is 39.5 secs Computing kpt #: 105 total cpu time spent up to now is 39.8 secs Computing kpt #: 106 total cpu time spent up to now is 40.2 secs Computing kpt #: 107 total cpu time spent up to now is 40.5 secs Computing kpt #: 108 total cpu time spent up to now is 40.9 secs Computing kpt #: 109 total cpu time spent up to now is 41.3 secs Computing kpt #: 110 total cpu time spent up to now is 41.7 secs Computing kpt #: 111 total cpu time spent up to now is 42.1 secs Computing kpt #: 112 total cpu time spent up to now is 42.5 secs Computing kpt #: 113 total cpu time spent up to now is 42.9 secs Computing kpt #: 114 total cpu time spent up to now is 43.3 secs Computing kpt #: 115 total cpu time spent up to now is 43.7 secs Computing kpt #: 116 total cpu time spent up to now is 44.1 secs Computing kpt #: 117 total cpu time spent up to now is 44.5 secs Computing kpt #: 118 total cpu time spent up to now is 44.8 secs Computing kpt #: 119 total cpu time spent up to now is 45.1 secs Computing kpt #: 120 total cpu time spent up to now is 45.5 secs Computing kpt #: 121 total cpu time spent up to now is 45.8 secs Computing kpt #: 122 total cpu time spent up to now is 46.2 secs Computing kpt #: 123 total cpu time spent up to now is 46.5 secs Computing kpt #: 124 total cpu time spent up to now is 46.9 secs Computing kpt #: 125 total cpu time spent up to now is 47.2 secs Computing kpt #: 126 total cpu time spent up to now is 47.6 secs Computing kpt #: 127 total cpu time spent up to now is 48.0 secs Computing kpt #: 128 total cpu time spent up to now is 48.3 secs Computing kpt #: 129 total cpu time spent up to now is 48.7 secs Computing kpt #: 130 total cpu time spent up to now is 49.0 secs Computing kpt #: 131 total cpu time spent up to now is 49.3 secs Computing kpt #: 132 total cpu time spent up to now is 49.7 secs Computing kpt #: 133 total cpu time spent up to now is 50.1 secs Computing kpt #: 134 total cpu time spent up to now is 50.5 secs Computing kpt #: 135 total cpu time spent up to now is 50.8 secs Computing kpt #: 136 total cpu time spent up to now is 51.2 secs Computing kpt #: 137 total cpu time spent up to now is 51.5 secs Computing kpt #: 138 total cpu time spent up to now is 51.9 secs Computing kpt #: 139 total cpu time spent up to now is 52.3 secs Computing kpt #: 140 total cpu time spent up to now is 52.6 secs Computing kpt #: 141 total cpu time spent up to now is 53.0 secs Computing kpt #: 142 total cpu time spent up to now is 53.3 secs Computing kpt #: 143 total cpu time spent up to now is 53.6 secs Computing kpt #: 144 total cpu time spent up to now is 54.0 secs Computing kpt #: 145 total cpu time spent up to now is 54.3 secs Computing kpt #: 146 total cpu time spent up to now is 54.7 secs Computing kpt #: 147 total cpu time spent up to now is 55.0 secs Computing kpt #: 148 total cpu time spent up to now is 55.4 secs Computing kpt #: 149 total cpu time spent up to now is 55.7 secs Computing kpt #: 150 total cpu time spent up to now is 56.1 secs Computing kpt #: 151 total cpu time spent up to now is 56.4 secs Computing kpt #: 152 total cpu time spent up to now is 56.8 secs Computing kpt #: 153 total cpu time spent up to now is 57.1 secs Computing kpt #: 154 total cpu time spent up to now is 57.4 secs Computing kpt #: 155 total cpu time spent up to now is 57.8 secs Computing kpt #: 156 total cpu time spent up to now is 58.1 secs Computing kpt #: 157 total cpu time spent up to now is 58.4 secs Computing kpt #: 158 total cpu time spent up to now is 58.8 secs Computing kpt #: 159 total cpu time spent up to now is 59.1 secs Computing kpt #: 160 total cpu time spent up to now is 59.5 secs Computing kpt #: 161 total cpu time spent up to now is 59.8 secs Computing kpt #: 162 total cpu time spent up to now is 60.1 secs Computing kpt #: 163 total cpu time spent up to now is 60.5 secs Computing kpt #: 164 total cpu time spent up to now is 60.8 secs Computing kpt #: 165 total cpu time spent up to now is 61.2 secs Computing kpt #: 166 total cpu time spent up to now is 61.5 secs Computing kpt #: 167 total cpu time spent up to now is 61.8 secs Computing kpt #: 168 total cpu time spent up to now is 62.1 secs Computing kpt #: 169 total cpu time spent up to now is 62.5 secs Computing kpt #: 170 total cpu time spent up to now is 62.8 secs Computing kpt #: 171 total cpu time spent up to now is 63.1 secs Computing kpt #: 172 total cpu time spent up to now is 63.5 secs Computing kpt #: 173 total cpu time spent up to now is 63.8 secs Computing kpt #: 174 total cpu time spent up to now is 64.2 secs Computing kpt #: 175 total cpu time spent up to now is 64.5 secs Computing kpt #: 176 total cpu time spent up to now is 64.8 secs Computing kpt #: 177 total cpu time spent up to now is 65.2 secs Computing kpt #: 178 total cpu time spent up to now is 65.6 secs Computing kpt #: 179 total cpu time spent up to now is 65.9 secs Computing kpt #: 180 total cpu time spent up to now is 66.3 secs Computing kpt #: 181 total cpu time spent up to now is 66.6 secs Computing kpt #: 182 total cpu time spent up to now is 67.0 secs Computing kpt #: 183 total cpu time spent up to now is 67.4 secs Computing kpt #: 184 total cpu time spent up to now is 67.8 secs Computing kpt #: 185 total cpu time spent up to now is 68.1 secs Computing kpt #: 186 total cpu time spent up to now is 68.5 secs Computing kpt #: 187 total cpu time spent up to now is 68.8 secs Computing kpt #: 188 total cpu time spent up to now is 69.2 secs Computing kpt #: 189 total cpu time spent up to now is 69.6 secs Computing kpt #: 190 total cpu time spent up to now is 70.0 secs Computing kpt #: 191 total cpu time spent up to now is 70.3 secs Computing kpt #: 192 total cpu time spent up to now is 70.7 secs Computing kpt #: 193 total cpu time spent up to now is 71.0 secs Computing kpt #: 194 total cpu time spent up to now is 71.4 secs Computing kpt #: 195 total cpu time spent up to now is 71.8 secs Computing kpt #: 196 total cpu time spent up to now is 72.1 secs Computing kpt #: 197 total cpu time spent up to now is 72.5 secs Computing kpt #: 198 total cpu time spent up to now is 72.9 secs Computing kpt #: 199 total cpu time spent up to now is 73.2 secs Computing kpt #: 200 total cpu time spent up to now is 73.6 secs Computing kpt #: 201 total cpu time spent up to now is 74.0 secs Computing kpt #: 202 total cpu time spent up to now is 74.4 secs Computing kpt #: 203 total cpu time spent up to now is 74.8 secs Computing kpt #: 204 total cpu time spent up to now is 75.1 secs Computing kpt #: 205 total cpu time spent up to now is 75.5 secs Computing kpt #: 206 total cpu time spent up to now is 75.9 secs Computing kpt #: 207 total cpu time spent up to now is 76.2 secs Computing kpt #: 208 total cpu time spent up to now is 76.6 secs Computing kpt #: 209 total cpu time spent up to now is 77.0 secs Computing kpt #: 210 total cpu time spent up to now is 77.3 secs Computing kpt #: 211 total cpu time spent up to now is 77.8 secs Computing kpt #: 212 total cpu time spent up to now is 78.2 secs Computing kpt #: 213 total cpu time spent up to now is 78.6 secs Computing kpt #: 214 total cpu time spent up to now is 79.0 secs Computing kpt #: 215 total cpu time spent up to now is 79.4 secs Computing kpt #: 216 total cpu time spent up to now is 79.8 secs Computing kpt #: 217 total cpu time spent up to now is 80.2 secs Computing kpt #: 218 total cpu time spent up to now is 80.6 secs Computing kpt #: 219 total cpu time spent up to now is 81.0 secs Computing kpt #: 220 total cpu time spent up to now is 81.4 secs Computing kpt #: 221 total cpu time spent up to now is 81.8 secs Computing kpt #: 222 total cpu time spent up to now is 82.2 secs Computing kpt #: 223 total cpu time spent up to now is 82.6 secs Computing kpt #: 224 total cpu time spent up to now is 83.0 secs Computing kpt #: 225 total cpu time spent up to now is 83.4 secs Computing kpt #: 226 total cpu time spent up to now is 83.8 secs Computing kpt #: 227 total cpu time spent up to now is 84.2 secs Computing kpt #: 228 total cpu time spent up to now is 84.6 secs Computing kpt #: 229 total cpu time spent up to now is 85.0 secs Computing kpt #: 230 total cpu time spent up to now is 85.4 secs Computing kpt #: 231 total cpu time spent up to now is 85.8 secs Computing kpt #: 232 total cpu time spent up to now is 86.2 secs Computing kpt #: 233 total cpu time spent up to now is 86.6 secs Computing kpt #: 234 total cpu time spent up to now is 87.0 secs Computing kpt #: 235 total cpu time spent up to now is 87.4 secs Computing kpt #: 236 total cpu time spent up to now is 87.8 secs Computing kpt #: 237 total cpu time spent up to now is 88.2 secs Computing kpt #: 238 total cpu time spent up to now is 88.6 secs Computing kpt #: 239 total cpu time spent up to now is 89.0 secs Computing kpt #: 240 total cpu time spent up to now is 89.4 secs Computing kpt #: 241 total cpu time spent up to now is 89.8 secs Computing kpt #: 242 total cpu time spent up to now is 90.2 secs Computing kpt #: 243 total cpu time spent up to now is 90.6 secs Computing kpt #: 244 total cpu time spent up to now is 91.0 secs Computing kpt #: 245 total cpu time spent up to now is 91.4 secs Computing kpt #: 246 total cpu time spent up to now is 91.7 secs Computing kpt #: 247 total cpu time spent up to now is 92.1 secs Computing kpt #: 248 total cpu time spent up to now is 92.5 secs Computing kpt #: 249 total cpu time spent up to now is 92.8 secs Computing kpt #: 250 total cpu time spent up to now is 93.2 secs Computing kpt #: 251 total cpu time spent up to now is 93.5 secs Computing kpt #: 252 total cpu time spent up to now is 93.9 secs Computing kpt #: 253 total cpu time spent up to now is 94.3 secs Computing kpt #: 254 total cpu time spent up to now is 94.6 secs Computing kpt #: 255 total cpu time spent up to now is 95.0 secs Computing kpt #: 256 total cpu time spent up to now is 95.4 secs Computing kpt #: 257 total cpu time spent up to now is 95.7 secs Computing kpt #: 258 total cpu time spent up to now is 96.1 secs Computing kpt #: 259 total cpu time spent up to now is 96.4 secs Computing kpt #: 260 total cpu time spent up to now is 96.8 secs Computing kpt #: 261 total cpu time spent up to now is 97.1 secs Computing kpt #: 262 total cpu time spent up to now is 97.4 secs Computing kpt #: 263 total cpu time spent up to now is 97.8 secs Computing kpt #: 264 total cpu time spent up to now is 98.2 secs Computing kpt #: 265 total cpu time spent up to now is 98.5 secs Computing kpt #: 266 total cpu time spent up to now is 98.9 secs Computing kpt #: 267 total cpu time spent up to now is 99.2 secs Computing kpt #: 268 total cpu time spent up to now is 99.6 secs Computing kpt #: 269 total cpu time spent up to now is 99.9 secs Computing kpt #: 270 total cpu time spent up to now is 100.3 secs Computing kpt #: 271 total cpu time spent up to now is 100.6 secs Computing kpt #: 272 total cpu time spent up to now is 101.0 secs Computing kpt #: 273 total cpu time spent up to now is 101.3 secs Computing kpt #: 274 total cpu time spent up to now is 101.6 secs Computing kpt #: 275 total cpu time spent up to now is 102.0 secs Computing kpt #: 276 total cpu time spent up to now is 102.3 secs Computing kpt #: 277 total cpu time spent up to now is 102.7 secs Computing kpt #: 278 total cpu time spent up to now is 103.0 secs Computing kpt #: 279 total cpu time spent up to now is 103.4 secs Computing kpt #: 280 total cpu time spent up to now is 103.7 secs Computing kpt #: 281 total cpu time spent up to now is 104.0 secs Computing kpt #: 282 total cpu time spent up to now is 104.4 secs Computing kpt #: 283 total cpu time spent up to now is 104.8 secs Computing kpt #: 284 total cpu time spent up to now is 105.2 secs Computing kpt #: 285 total cpu time spent up to now is 105.6 secs Computing kpt #: 286 total cpu time spent up to now is 106.0 secs Computing kpt #: 287 total cpu time spent up to now is 106.3 secs Computing kpt #: 288 total cpu time spent up to now is 106.7 secs Computing kpt #: 289 total cpu time spent up to now is 107.1 secs Computing kpt #: 290 total cpu time spent up to now is 107.5 secs Computing kpt #: 291 total cpu time spent up to now is 107.8 secs Computing kpt #: 292 total cpu time spent up to now is 108.2 secs Computing kpt #: 293 total cpu time spent up to now is 108.6 secs Computing kpt #: 294 total cpu time spent up to now is 109.0 secs Computing kpt #: 295 total cpu time spent up to now is 109.3 secs Computing kpt #: 296 total cpu time spent up to now is 109.7 secs Computing kpt #: 297 total cpu time spent up to now is 110.0 secs Computing kpt #: 298 total cpu time spent up to now is 110.4 secs Computing kpt #: 299 total cpu time spent up to now is 110.7 secs Computing kpt #: 300 total cpu time spent up to now is 111.1 secs Computing kpt #: 301 total cpu time spent up to now is 111.4 secs Computing kpt #: 302 total cpu time spent up to now is 111.8 secs Computing kpt #: 303 total cpu time spent up to now is 112.1 secs Computing kpt #: 304 total cpu time spent up to now is 112.4 secs Computing kpt #: 305 total cpu time spent up to now is 112.8 secs Computing kpt #: 306 total cpu time spent up to now is 113.2 secs Computing kpt #: 307 total cpu time spent up to now is 113.5 secs Computing kpt #: 308 total cpu time spent up to now is 113.9 secs Computing kpt #: 309 total cpu time spent up to now is 114.2 secs Computing kpt #: 310 total cpu time spent up to now is 114.6 secs Computing kpt #: 311 total cpu time spent up to now is 115.0 secs Computing kpt #: 312 total cpu time spent up to now is 115.4 secs Computing kpt #: 313 total cpu time spent up to now is 115.7 secs Computing kpt #: 314 total cpu time spent up to now is 116.1 secs Computing kpt #: 315 total cpu time spent up to now is 116.5 secs Computing kpt #: 316 total cpu time spent up to now is 116.9 secs Computing kpt #: 317 total cpu time spent up to now is 117.2 secs Computing kpt #: 318 total cpu time spent up to now is 117.6 secs Computing kpt #: 319 total cpu time spent up to now is 118.0 secs Computing kpt #: 320 total cpu time spent up to now is 118.3 secs Computing kpt #: 321 total cpu time spent up to now is 118.6 secs Computing kpt #: 322 total cpu time spent up to now is 119.0 secs Computing kpt #: 323 total cpu time spent up to now is 119.3 secs Computing kpt #: 324 total cpu time spent up to now is 119.6 secs Computing kpt #: 325 total cpu time spent up to now is 120.0 secs Computing kpt #: 326 total cpu time spent up to now is 120.3 secs Computing kpt #: 327 total cpu time spent up to now is 120.7 secs Computing kpt #: 328 total cpu time spent up to now is 121.0 secs Computing kpt #: 329 total cpu time spent up to now is 121.4 secs Computing kpt #: 330 total cpu time spent up to now is 121.7 secs Computing kpt #: 331 total cpu time spent up to now is 122.0 secs Computing kpt #: 332 total cpu time spent up to now is 122.4 secs Computing kpt #: 333 total cpu time spent up to now is 122.8 secs Computing kpt #: 334 total cpu time spent up to now is 123.1 secs Computing kpt #: 335 total cpu time spent up to now is 123.4 secs Computing kpt #: 336 total cpu time spent up to now is 123.8 secs Computing kpt #: 337 total cpu time spent up to now is 124.2 secs Computing kpt #: 338 total cpu time spent up to now is 124.5 secs Computing kpt #: 339 total cpu time spent up to now is 124.8 secs Computing kpt #: 340 total cpu time spent up to now is 125.2 secs Computing kpt #: 341 total cpu time spent up to now is 125.6 secs Computing kpt #: 342 total cpu time spent up to now is 125.9 secs Computing kpt #: 343 total cpu time spent up to now is 126.3 secs Computing kpt #: 344 total cpu time spent up to now is 126.6 secs Computing kpt #: 345 total cpu time spent up to now is 127.0 secs Computing kpt #: 346 total cpu time spent up to now is 127.4 secs Computing kpt #: 347 total cpu time spent up to now is 127.8 secs Computing kpt #: 348 total cpu time spent up to now is 128.1 secs Computing kpt #: 349 total cpu time spent up to now is 128.5 secs Computing kpt #: 350 total cpu time spent up to now is 128.9 secs Computing kpt #: 351 total cpu time spent up to now is 129.3 secs Computing kpt #: 352 total cpu time spent up to now is 129.6 secs Computing kpt #: 353 total cpu time spent up to now is 130.0 secs Computing kpt #: 354 total cpu time spent up to now is 130.4 secs Computing kpt #: 355 total cpu time spent up to now is 130.7 secs Computing kpt #: 356 total cpu time spent up to now is 131.1 secs Computing kpt #: 357 total cpu time spent up to now is 131.5 secs Computing kpt #: 358 total cpu time spent up to now is 131.8 secs Computing kpt #: 359 total cpu time spent up to now is 132.2 secs Computing kpt #: 360 total cpu time spent up to now is 132.5 secs Computing kpt #: 361 total cpu time spent up to now is 132.9 secs Computing kpt #: 362 total cpu time spent up to now is 133.2 secs Computing kpt #: 363 total cpu time spent up to now is 133.6 secs Computing kpt #: 364 total cpu time spent up to now is 133.9 secs Computing kpt #: 365 total cpu time spent up to now is 134.3 secs Computing kpt #: 366 total cpu time spent up to now is 134.6 secs Computing kpt #: 367 total cpu time spent up to now is 135.0 secs Computing kpt #: 368 total cpu time spent up to now is 135.4 secs Computing kpt #: 369 total cpu time spent up to now is 135.8 secs Computing kpt #: 370 total cpu time spent up to now is 136.1 secs Computing kpt #: 371 total cpu time spent up to now is 136.4 secs Computing kpt #: 372 total cpu time spent up to now is 136.8 secs Computing kpt #: 373 total cpu time spent up to now is 137.1 secs Computing kpt #: 374 total cpu time spent up to now is 137.5 secs Computing kpt #: 375 total cpu time spent up to now is 137.8 secs Computing kpt #: 376 total cpu time spent up to now is 138.2 secs Computing kpt #: 377 total cpu time spent up to now is 138.5 secs Computing kpt #: 378 total cpu time spent up to now is 138.9 secs Computing kpt #: 379 total cpu time spent up to now is 139.3 secs Computing kpt #: 380 total cpu time spent up to now is 139.6 secs Computing kpt #: 381 total cpu time spent up to now is 140.0 secs Computing kpt #: 382 total cpu time spent up to now is 140.4 secs Computing kpt #: 383 total cpu time spent up to now is 140.8 secs Computing kpt #: 384 total cpu time spent up to now is 141.1 secs Computing kpt #: 385 total cpu time spent up to now is 141.4 secs Computing kpt #: 386 total cpu time spent up to now is 141.8 secs Computing kpt #: 387 total cpu time spent up to now is 142.2 secs Computing kpt #: 388 total cpu time spent up to now is 142.5 secs Computing kpt #: 389 total cpu time spent up to now is 142.9 secs Computing kpt #: 390 total cpu time spent up to now is 143.2 secs Computing kpt #: 391 total cpu time spent up to now is 143.5 secs Computing kpt #: 392 total cpu time spent up to now is 143.9 secs ethr = 3.13E-08, avg # of iterations = 14.6 total cpu time spent up to now is 143.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4385 PWs) bands (ev): -17.6475 -17.6475 -17.5636 -17.5636 -14.3418 -14.3418 -14.2970 -14.2970 -7.3150 -7.3150 -7.2804 -7.2804 -6.2445 -6.2445 -6.0433 -6.0433 -6.0026 -6.0026 -5.7925 -5.7925 -3.5095 -3.5095 -3.3758 -3.3758 -3.0863 -3.0863 -3.0167 -3.0167 -3.0045 -3.0045 -2.7661 -2.7661 4.6207 4.6207 4.9734 4.9734 5.0948 5.0948 5.3716 5.3716 k = 0.0082 0.0095-0.0000 ( 4381 PWs) bands (ev): -17.6474 -17.6474 -17.5636 -17.5636 -14.3418 -14.3418 -14.2969 -14.2969 -7.3155 -7.3155 -7.2802 -7.2802 -6.2447 -6.2446 -6.0441 -6.0441 -6.0028 -6.0028 -5.7930 -5.7929 -3.5107 -3.5105 -3.3748 -3.3748 -3.0859 -3.0856 -3.0169 -3.0167 -3.0037 -3.0036 -2.7661 -2.7661 4.6213 4.6213 4.9731 4.9731 5.0966 5.0966 5.3721 5.3721 k = 0.0164 0.0191-0.0000 ( 4389 PWs) bands (ev): -17.6470 -17.6470 -17.5634 -17.5634 -14.3419 -14.3419 -14.2968 -14.2968 -7.3169 -7.3168 -7.2796 -7.2796 -6.2452 -6.2450 -6.0466 -6.0466 -6.0035 -6.0034 -5.7944 -5.7944 -3.5140 -3.5136 -3.3721 -3.3721 -3.0844 -3.0840 -3.0174 -3.0171 -3.0013 -3.0010 -2.7661 -2.7661 4.6229 4.6229 4.9722 4.9722 5.1019 5.1020 5.3733 5.3733 k = 0.0247 0.0286-0.0000 ( 4385 PWs) bands (ev): -17.6464 -17.6464 -17.5631 -17.5631 -14.3419 -14.3419 -14.2965 -14.2965 -7.3191 -7.3190 -7.2786 -7.2786 -6.2460 -6.2457 -6.0506 -6.0506 -6.0046 -6.0046 -5.7968 -5.7968 -3.5190 -3.5184 -3.3680 -3.3680 -3.0820 -3.0813 -3.0183 -3.0179 -2.9970 -2.9967 -2.7661 -2.7661 4.6257 4.6257 4.9708 4.9708 5.1108 5.1109 5.3754 5.3754 k = 0.0329 0.0382-0.0000 ( 4385 PWs) bands (ev): -17.6455 -17.6455 -17.5627 -17.5627 -14.3419 -14.3419 -14.2962 -14.2961 -7.3220 -7.3219 -7.2775 -7.2775 -6.2472 -6.2468 -6.0561 -6.0560 -6.0063 -6.0063 -5.8001 -5.8001 -3.5251 -3.5244 -3.3632 -3.3630 -3.0786 -3.0778 -3.0196 -3.0191 -2.9909 -2.9906 -2.7661 -2.7661 4.6295 4.6295 4.9688 4.9688 5.1233 5.1234 5.3784 5.3784 k = 0.0411 0.0477-0.0000 ( 4377 PWs) bands (ev): -17.6443 -17.6443 -17.5622 -17.5622 -14.3420 -14.3420 -14.2956 -14.2956 -7.3255 -7.3253 -7.2763 -7.2763 -6.2486 -6.2482 -6.0629 -6.0629 -6.0086 -6.0086 -5.8043 -5.8041 -3.5321 -3.5313 -3.3579 -3.3576 -3.0744 -3.0734 -3.0213 -3.0209 -2.9828 -2.9825 -2.7661 -2.7661 4.6344 4.6344 4.9665 4.9665 5.1391 5.1393 5.3823 5.3823 k = 0.0493 0.0572-0.0000 ( 4379 PWs) bands (ev): -17.6429 -17.6429 -17.5616 -17.5616 -14.3421 -14.3421 -14.2950 -14.2950 -7.3294 -7.3292 -7.2751 -7.2751 -6.2505 -6.2500 -6.0710 -6.0710 -6.0117 -6.0116 -5.8091 -5.8090 -3.5394 -3.5386 -3.3527 -3.3523 -3.0694 -3.0682 -3.0235 -3.0230 -2.9729 -2.9725 -2.7661 -2.7661 4.6403 4.6403 4.9639 4.9639 5.1584 5.1586 5.3870 5.3870 k = 0.0575 0.0668-0.0000 ( 4385 PWs) bands (ev): -17.6412 -17.6412 -17.5609 -17.5609 -14.3422 -14.3422 -14.2943 -14.2943 -7.3337 -7.3336 -7.2739 -7.2739 -6.2528 -6.2522 -6.0803 -6.0803 -6.0155 -6.0154 -5.8146 -5.8145 -3.5469 -3.5460 -3.3480 -3.3474 -3.0637 -3.0624 -3.0261 -3.0255 -2.9611 -2.9607 -2.7662 -2.7661 4.6472 4.6473 4.9611 4.9612 5.1809 5.1811 5.3925 5.3925 k = 0.0658 0.0763-0.0000 ( 4379 PWs) bands (ev): -17.6393 -17.6393 -17.5601 -17.5601 -14.3423 -14.3423 -14.2934 -14.2934 -7.3383 -7.3381 -7.2728 -7.2728 -6.2555 -6.2548 -6.0908 -6.0907 -6.0200 -6.0200 -5.8206 -5.8205 -3.5542 -3.5534 -3.3438 -3.3430 -3.0575 -3.0561 -3.0290 -3.0283 -2.9477 -2.9472 -2.7662 -2.7661 4.6551 4.6551 4.9584 4.9584 5.2065 5.2067 5.3989 5.3989 k = 0.0740 0.0858-0.0000 ( 4381 PWs) bands (ev): -17.6372 -17.6372 -17.5592 -17.5592 -14.3424 -14.3424 -14.2924 -14.2924 -7.3432 -7.3430 -7.2719 -7.2719 -6.2587 -6.2579 -6.1023 -6.1023 -6.0254 -6.0254 -5.8271 -5.8269 -3.5612 -3.5605 -3.3403 -3.3394 -3.0510 -3.0492 -3.0324 -3.0313 -2.9327 -2.9321 -2.7662 -2.7661 4.6639 4.6639 4.9558 4.9558 5.2349 5.2352 5.4062 5.4062 k = 0.0822 0.0954-0.0000 ( 4381 PWs) bands (ev): -17.6348 -17.6348 -17.5583 -17.5583 -14.3425 -14.3425 -14.2912 -14.2912 -7.3483 -7.3481 -7.2711 -7.2711 -6.2624 -6.2616 -6.1148 -6.1148 -6.0315 -6.0315 -5.8338 -5.8336 -3.5679 -3.5672 -3.3377 -3.3367 -3.0448 -3.0420 -3.0359 -3.0338 -2.9163 -2.9157 -2.7662 -2.7661 4.6736 4.6736 4.9535 4.9535 5.2658 5.2661 5.4143 5.4143 k = 0.0904 0.1049-0.0000 ( 4373 PWs) bands (ev): -17.6323 -17.6323 -17.5572 -17.5572 -14.3426 -14.3426 -14.2899 -14.2899 -7.3535 -7.3533 -7.2705 -7.2704 -6.2666 -6.2657 -6.1283 -6.1283 -6.0383 -6.0383 -5.8408 -5.8405 -3.5740 -3.5735 -3.3359 -3.3348 -3.0427 -3.0405 -3.0338 -3.0322 -2.8988 -2.8981 -2.7662 -2.7661 4.6841 4.6841 4.9516 4.9517 5.2985 5.2989 5.4233 5.4233 k = 0.0986 0.1145-0.0000 ( 4371 PWs) bands (ev): -17.6295 -17.6295 -17.5560 -17.5560 -14.3427 -14.3427 -14.2885 -14.2884 -7.3588 -7.3585 -7.2700 -7.2700 -6.2713 -6.2704 -6.1427 -6.1426 -6.0460 -6.0459 -5.8478 -5.8475 -3.5797 -3.5792 -3.3350 -3.3338 -3.0457 -3.0449 -3.0259 -3.0254 -2.8805 -2.8797 -2.7661 -2.7660 4.6954 4.6954 4.9504 4.9505 5.3322 5.3327 5.4332 5.4332 k = 0.1069 0.1240-0.0000 ( 4371 PWs) bands (ev): -17.6266 -17.6266 -17.5548 -17.5548 -14.3428 -14.3428 -14.2868 -14.2868 -7.3641 -7.3638 -7.2698 -7.2698 -6.2766 -6.2756 -6.1580 -6.1579 -6.0543 -6.0543 -5.8547 -5.8545 -3.5847 -3.5843 -3.3349 -3.3336 -3.0502 -3.0497 -3.0175 -3.0173 -2.8616 -2.8606 -2.7661 -2.7660 4.7074 4.7074 4.9501 4.9501 5.3652 5.3657 5.4439 5.4439 k = 0.1151 0.1335-0.0000 ( 4375 PWs) bands (ev): -17.6235 -17.6235 -17.5536 -17.5536 -14.3428 -14.3428 -14.2851 -14.2851 -7.3695 -7.3692 -7.2698 -7.2698 -6.2823 -6.2813 -6.1741 -6.1740 -6.0633 -6.0633 -5.8616 -5.8614 -3.5891 -3.5889 -3.3357 -3.3343 -3.0552 -3.0548 -3.0089 -3.0087 -2.8424 -2.8413 -2.7660 -2.7658 4.7201 4.7201 4.9506 4.9507 5.3945 5.3951 5.4555 5.4555 k = 0.1233 0.1431-0.0000 ( 4371 PWs) bands (ev): -17.6202 -17.6202 -17.5522 -17.5522 -14.3428 -14.3428 -14.2832 -14.2832 -7.3748 -7.3744 -7.2700 -7.2700 -6.2885 -6.2875 -6.1909 -6.1909 -6.0730 -6.0730 -5.8682 -5.8680 -3.5929 -3.5928 -3.3372 -3.3358 -3.0606 -3.0603 -3.0002 -2.9999 -2.8231 -2.8219 -2.7659 -2.7656 4.7334 4.7334 4.9523 4.9524 5.4162 5.4168 5.4679 5.4679 k = 0.1315 0.1526-0.0000 ( 4371 PWs) bands (ev): -17.6167 -17.6167 -17.5508 -17.5508 -14.3428 -14.3428 -14.2811 -14.2811 -7.3800 -7.3796 -7.2706 -7.2705 -6.2950 -6.2940 -6.2085 -6.2084 -6.0834 -6.0834 -5.8746 -5.8744 -3.5961 -3.5961 -3.3394 -3.3380 -3.0664 -3.0662 -2.9913 -2.9910 -2.8041 -2.8028 -2.7657 -2.7653 4.7473 4.7473 4.9553 4.9554 5.4259 5.4266 5.4812 5.4812 k = 0.1397 0.1622-0.0000 ( 4379 PWs) bands (ev): -17.6132 -17.6132 -17.5494 -17.5494 -14.3427 -14.3427 -14.2790 -14.2790 -7.3850 -7.3847 -7.2714 -7.2713 -6.3020 -6.3010 -6.2268 -6.2267 -6.0944 -6.0943 -5.8807 -5.8805 -3.5988 -3.5986 -3.3423 -3.3409 -3.0725 -3.0723 -2.9825 -2.9820 -2.7859 -2.7840 -2.7655 -2.7645 4.7617 4.7617 4.9596 4.9597 5.4226 5.4232 5.4952 5.4953 k = 0.1479 0.1717-0.0000 ( 4385 PWs) bands (ev): -17.6095 -17.6095 -17.5480 -17.5480 -14.3425 -14.3424 -14.2766 -14.2766 -7.3900 -7.3896 -7.2725 -7.2724 -6.3092 -6.3082 -6.2456 -6.2456 -6.1059 -6.1059 -5.8864 -5.8862 -3.6007 -3.6004 -3.3458 -3.3444 -3.0789 -3.0788 -2.9738 -2.9731 -2.7707 -2.7661 -2.7652 -2.7614 4.7767 4.7767 4.9654 4.9655 5.4087 5.4094 5.5101 5.5101 k = 0.1562 0.1812-0.0000 ( 4397 PWs) bands (ev): -17.6057 -17.6057 -17.5465 -17.5465 -14.3422 -14.3421 -14.2742 -14.2742 -7.3948 -7.3944 -7.2739 -7.2738 -6.3166 -6.3156 -6.2651 -6.2650 -6.1179 -6.1179 -5.8916 -5.8914 -3.6021 -3.6016 -3.3499 -3.3486 -3.0856 -3.0855 -2.9653 -2.9644 -2.7663 -2.7649 -2.7488 -2.7484 4.7921 4.7921 4.9728 4.9729 5.3879 5.3885 5.5257 5.5257 k = 0.1644 0.1908-0.0000 ( 4395 PWs) bands (ev): -17.6018 -17.6018 -17.5450 -17.5450 -14.3417 -14.3417 -14.2716 -14.2716 -7.3994 -7.3990 -7.2757 -7.2756 -6.3241 -6.3231 -6.2850 -6.2849 -6.1304 -6.1304 -5.8964 -5.8962 -3.6028 -3.6022 -3.3545 -3.3532 -3.0926 -3.0926 -2.9570 -2.9560 -2.7653 -2.7645 -2.7329 -2.7328 4.8080 4.8080 4.9819 4.9820 5.3628 5.3634 5.5420 5.5421 k = 0.1726 0.2003-0.0000 ( 4389 PWs) bands (ev): -17.5978 -17.5978 -17.5434 -17.5434 -14.3411 -14.3411 -14.2689 -14.2689 -7.4037 -7.4034 -7.2777 -7.2776 -6.3315 -6.3305 -6.3054 -6.3052 -6.1433 -6.1433 -5.9008 -5.9006 -3.6028 -3.6021 -3.3596 -3.3584 -3.0999 -3.0998 -2.9492 -2.9480 -2.7646 -2.7640 -2.7183 -2.7180 4.8242 4.8242 4.9927 4.9928 5.3351 5.3357 5.5591 5.5591 k = 0.1808 0.2099-0.0000 ( 4393 PWs) bands (ev): -17.5938 -17.5938 -17.5419 -17.5419 -14.3404 -14.3404 -14.2661 -14.2661 -7.4079 -7.4075 -7.2801 -7.2800 -6.3390 -6.3379 -6.3262 -6.3259 -6.1566 -6.1566 -5.9047 -5.9046 -3.6022 -3.6013 -3.3652 -3.3641 -3.1074 -3.1074 -2.9418 -2.9405 -2.7639 -2.7635 -2.7050 -2.7046 4.8409 4.8409 5.0052 5.0053 5.3061 5.3066 5.5769 5.5769 k = 0.1890 0.2194-0.0000 ( 4391 PWs) bands (ev): -17.5897 -17.5897 -17.5403 -17.5403 -14.3395 -14.3395 -14.2631 -14.2631 -7.4119 -7.4115 -7.2829 -7.2827 -6.3488 -6.3474 -6.3449 -6.3443 -6.1703 -6.1703 -5.9082 -5.9081 -3.6010 -3.6000 -3.3713 -3.3702 -3.1152 -3.1152 -2.9351 -2.9336 -2.7632 -2.7628 -2.6931 -2.6928 4.8579 4.8579 5.0194 5.0195 5.2765 5.2770 5.5952 5.5953 k = 0.1973 0.2289-0.0000 ( 4391 PWs) bands (ev): -17.5856 -17.5856 -17.5388 -17.5388 -14.3385 -14.3385 -14.2601 -14.2601 -7.4156 -7.4152 -7.2859 -7.2858 -6.3690 -6.3688 -6.3522 -6.3518 -6.1843 -6.1842 -5.9112 -5.9111 -3.5992 -3.5980 -3.3777 -3.3767 -3.1232 -3.1232 -2.9291 -2.9274 -2.7625 -2.7621 -2.6830 -2.6826 4.8752 4.8752 5.0351 5.0352 5.2471 5.2475 5.6142 5.6142 k = 0.2055 0.2385-0.0000 ( 4391 PWs) bands (ev): -17.5815 -17.5815 -17.5373 -17.5373 -14.3373 -14.3373 -14.2570 -14.2570 -7.4192 -7.4188 -7.2893 -7.2892 -6.3905 -6.3904 -6.3587 -6.3581 -6.1985 -6.1985 -5.9138 -5.9137 -3.5969 -3.5955 -3.3844 -3.3835 -3.1315 -3.1314 -2.9238 -2.9221 -2.7617 -2.7613 -2.6745 -2.6742 4.8929 4.8929 5.0519 5.0519 5.2186 5.2190 5.6337 5.6337 k = 0.2137 0.2480-0.0000 ( 4393 PWs) bands (ev): -17.5773 -17.5773 -17.5358 -17.5358 -14.3359 -14.3359 -14.2538 -14.2538 -7.4226 -7.4222 -7.2930 -7.2929 -6.4123 -6.4122 -6.3645 -6.3639 -6.2129 -6.2129 -5.9160 -5.9159 -3.5940 -3.5925 -3.3915 -3.3907 -3.1399 -3.1398 -2.9195 -2.9176 -2.7608 -2.7604 -2.6679 -2.6676 4.9109 4.9109 5.0685 5.0686 5.1927 5.1930 5.6537 5.6537 k = 0.2219 0.2575-0.0000 ( 4393 PWs) bands (ev): -17.5732 -17.5732 -17.5343 -17.5343 -14.3343 -14.3343 -14.2506 -14.2506 -7.4258 -7.4254 -7.2971 -7.2969 -6.4342 -6.4341 -6.3696 -6.3691 -6.2275 -6.2275 -5.9178 -5.9177 -3.5906 -3.5890 -3.3988 -3.3981 -3.1484 -3.1484 -2.9162 -2.9141 -2.7598 -2.7594 -2.6632 -2.6629 4.9292 4.9292 5.0817 5.0820 5.1727 5.1728 5.6741 5.6741 k = 0.2301 0.2671-0.0000 ( 4393 PWs) bands (ev): -17.5691 -17.5691 -17.5328 -17.5328 -14.3325 -14.3325 -14.2473 -14.2473 -7.4288 -7.4284 -7.3014 -7.3012 -6.4561 -6.4561 -6.3741 -6.3736 -6.2423 -6.2423 -5.9191 -5.9190 -3.5868 -3.5850 -3.4063 -3.4057 -3.1572 -3.1572 -2.9139 -2.9116 -2.7587 -2.7584 -2.6603 -2.6601 4.9477 4.9477 5.0837 5.0842 5.1665 5.1667 5.6949 5.6949 k = 0.2384 0.2766-0.0000 ( 4397 PWs) bands (ev): -17.5651 -17.5651 -17.5313 -17.5313 -14.3305 -14.3305 -14.2440 -14.2439 -7.4317 -7.4313 -7.3060 -7.3058 -6.4781 -6.4780 -6.3777 -6.3772 -6.2571 -6.2571 -5.9201 -5.9200 -3.5826 -3.5806 -3.4140 -3.4135 -3.1660 -3.1660 -2.9127 -2.9104 -2.7575 -2.7572 -2.6593 -2.6592 4.9665 4.9666 5.0707 5.0715 5.1780 5.1784 5.7160 5.7160 k = 0.2466 0.2862-0.0000 ( 4399 PWs) bands (ev): -17.5612 -17.5612 -17.5299 -17.5299 -14.3283 -14.3283 -14.2406 -14.2406 -7.4345 -7.4341 -7.3108 -7.3106 -6.5000 -6.4999 -6.3805 -6.3801 -6.2720 -6.2720 -5.9206 -5.9206 -3.5780 -3.5760 -3.4218 -3.4213 -3.1750 -3.1750 -2.9128 -2.9103 -2.7563 -2.7560 -2.6601 -2.6600 4.9855 4.9856 5.0501 5.0509 5.2003 5.2007 5.7373 5.7374 k = 0.2548 0.2957-0.0000 ( 4399 PWs) bands (ev): -17.5573 -17.5573 -17.5284 -17.5284 -14.3258 -14.3258 -14.2371 -14.2371 -7.4372 -7.4368 -7.3159 -7.3157 -6.5217 -6.5217 -6.3823 -6.3820 -6.2869 -6.2868 -5.9208 -5.9208 -3.5733 -3.5711 -3.4296 -3.4292 -3.1840 -3.1840 -2.9142 -2.9116 -2.7550 -2.7547 -2.6627 -2.6627 5.0046 5.0048 5.0274 5.0283 5.2278 5.2281 5.7589 5.7589 k = 0.2630 0.3052-0.0000 ( 4397 PWs) bands (ev): -17.5535 -17.5535 -17.5270 -17.5270 -14.3232 -14.3232 -14.2337 -14.2337 -7.4399 -7.4395 -7.3211 -7.3209 -6.5433 -6.5433 -6.3832 -6.3829 -6.3017 -6.3016 -5.9207 -5.9206 -3.5684 -3.5661 -3.4373 -3.4369 -3.1931 -3.1931 -2.9169 -2.9142 -2.7537 -2.7533 -2.6671 -2.6670 5.0040 5.0043 5.0248 5.0251 5.2583 5.2586 5.7805 5.7806 k = 0.2712 0.3148-0.0000 ( 4391 PWs) bands (ev): -17.5499 -17.5499 -17.5256 -17.5256 -14.3204 -14.3204 -14.2303 -14.2303 -7.4425 -7.4421 -7.3265 -7.3263 -6.5647 -6.5647 -6.3831 -6.3828 -6.3164 -6.3163 -5.9202 -5.9202 -3.5636 -3.5611 -3.4447 -3.4444 -3.2022 -3.2022 -2.9210 -2.9182 -2.7522 -2.7519 -2.6730 -2.6728 4.9816 4.9821 5.0444 5.0445 5.2911 5.2913 5.8023 5.8023 k = 0.2795 0.3243-0.0000 ( 4383 PWs) bands (ev): -17.5464 -17.5464 -17.5242 -17.5242 -14.3173 -14.3173 -14.2268 -14.2268 -7.4451 -7.4447 -7.3321 -7.3319 -6.5858 -6.5858 -6.3819 -6.3817 -6.3310 -6.3309 -5.9194 -5.9193 -3.5591 -3.5564 -3.4517 -3.4514 -3.2113 -3.2113 -2.9267 -2.9238 -2.7508 -2.7505 -2.6803 -2.6800 4.9601 4.9606 5.0643 5.0644 5.3256 5.3259 5.8240 5.8240 k = 0.2877 0.3339-0.0000 ( 4379 PWs) bands (ev): -17.5430 -17.5430 -17.5228 -17.5228 -14.3141 -14.3141 -14.2234 -14.2234 -7.4477 -7.4474 -7.3377 -7.3375 -6.6066 -6.6066 -6.3797 -6.3795 -6.3454 -6.3453 -5.9183 -5.9183 -3.5551 -3.5522 -3.4580 -3.4577 -3.2204 -3.2204 -2.9339 -2.9309 -2.7493 -2.7489 -2.6889 -2.6885 4.9397 4.9402 5.0844 5.0844 5.3617 5.3619 5.8456 5.8456 k = 0.2959 0.3434-0.0000 ( 4389 PWs) bands (ev): -17.5399 -17.5399 -17.5213 -17.5213 -14.3107 -14.3107 -14.2201 -14.2201 -7.4504 -7.4501 -7.3434 -7.3432 -6.6271 -6.6270 -6.3764 -6.3764 -6.3596 -6.3595 -5.9169 -5.9169 -3.5519 -3.5488 -3.4632 -3.4630 -3.2295 -3.2294 -2.9426 -2.9396 -2.7477 -2.7474 -2.6985 -2.6979 4.9205 4.9210 5.1046 5.1046 5.3989 5.3991 5.8671 5.8671 k = 0.3041 0.3529-0.0000 ( 4393 PWs) bands (ev): -17.5370 -17.5370 -17.5197 -17.5197 -14.3072 -14.3072 -14.2168 -14.2168 -7.4532 -7.4529 -7.3492 -7.3490 -6.6471 -6.6471 -6.3748 -6.3738 -6.3718 -6.3707 -5.9154 -5.9154 -3.5500 -3.5468 -3.4671 -3.4668 -3.2384 -3.2384 -2.9530 -2.9500 -2.7462 -2.7459 -2.7089 -2.7082 4.9026 4.9030 5.1248 5.1248 5.4372 5.4374 5.8884 5.8884 k = 0.3123 0.3625-0.0000 ( 4389 PWs) bands (ev): -17.5344 -17.5344 -17.5181 -17.5181 -14.3035 -14.3035 -14.2136 -14.2136 -7.4560 -7.4557 -7.3549 -7.3547 -6.6666 -6.6666 -6.3875 -6.3874 -6.3665 -6.3663 -5.9136 -5.9136 -3.5497 -3.5463 -3.4692 -3.4690 -3.2473 -3.2472 -2.9651 -2.9620 -2.7448 -2.7443 -2.7198 -2.7189 4.8859 4.8863 5.1451 5.1451 5.4763 5.4764 5.9094 5.9094 k = 0.3206 0.3720-0.0000 ( 4393 PWs) bands (ev): -17.5321 -17.5321 -17.5164 -17.5164 -14.2996 -14.2996 -14.2104 -14.2104 -7.4589 -7.4586 -7.3606 -7.3603 -6.6856 -6.6856 -6.4008 -6.4008 -6.3601 -6.3600 -5.9117 -5.9117 -3.5511 -3.5476 -3.4694 -3.4693 -3.2560 -3.2559 -2.9788 -2.9757 -2.7437 -2.7430 -2.7309 -2.7297 4.8704 4.8708 5.1654 5.1654 5.5160 5.5161 5.9301 5.9301 k = 0.3288 0.3815-0.0000 ( 4387 PWs) bands (ev): -17.5301 -17.5301 -17.5145 -17.5145 -14.2957 -14.2957 -14.2074 -14.2074 -7.4619 -7.4617 -7.3661 -7.3659 -6.7041 -6.7041 -6.4139 -6.4138 -6.3527 -6.3526 -5.9097 -5.9096 -3.5540 -3.5505 -3.4678 -3.4678 -3.2645 -3.2645 -2.9941 -2.9910 -2.7455 -2.7450 -2.7390 -2.7378 4.8562 4.8566 5.1855 5.1856 5.5561 5.5561 5.9503 5.9504 k = 0.3370 0.3911-0.0000 ( 4384 PWs) bands (ev): -17.5283 -17.5283 -17.5126 -17.5126 -14.2916 -14.2916 -14.2044 -14.2044 -7.4651 -7.4648 -7.3715 -7.3713 -6.7219 -6.7219 -6.4265 -6.4265 -6.3444 -6.3443 -5.9075 -5.9075 -3.5583 -3.5548 -3.4650 -3.4649 -3.2729 -3.2728 -3.0110 -3.0080 -2.7553 -2.7548 -2.7386 -2.7383 4.8431 4.8435 5.2056 5.2056 5.5963 5.5964 5.9702 5.9702 k = 0.3452 0.4006-0.0000 ( 4392 PWs) bands (ev): -17.5269 -17.5269 -17.5106 -17.5106 -14.2875 -14.2875 -14.2016 -14.2015 -7.4684 -7.4681 -7.3768 -7.3766 -6.7392 -6.7392 -6.4388 -6.4388 -6.3352 -6.3352 -5.9053 -5.9053 -3.5634 -3.5599 -3.4612 -3.4610 -3.2810 -3.2810 -3.0293 -3.0264 -2.7666 -2.7658 -2.7372 -2.7371 4.8312 4.8315 5.2254 5.2254 5.6365 5.6365 5.9894 5.9894 k = 0.3534 0.4102-0.0000 ( 4392 PWs) bands (ev): -17.5256 -17.5256 -17.5085 -17.5085 -14.2834 -14.2834 -14.1988 -14.1988 -7.4718 -7.4715 -7.3818 -7.3816 -6.7557 -6.7557 -6.4506 -6.4506 -6.3253 -6.3253 -5.9031 -5.9031 -3.5689 -3.5654 -3.4568 -3.4566 -3.2889 -3.2888 -3.0489 -3.0460 -2.7776 -2.7767 -2.7357 -2.7357 4.8203 4.8206 5.2450 5.2450 5.6764 5.6764 6.0081 6.0082 k = 0.3617 0.4197-0.0000 ( 4388 PWs) bands (ev): -17.5246 -17.5246 -17.5064 -17.5064 -14.2792 -14.2792 -14.1962 -14.1962 -7.4753 -7.4751 -7.3865 -7.3863 -6.7716 -6.7716 -6.4619 -6.4619 -6.3148 -6.3147 -5.9010 -5.9009 -3.5746 -3.5711 -3.4522 -3.4520 -3.2965 -3.2965 -3.0696 -3.0668 -2.7884 -2.7873 -2.7342 -2.7342 4.8105 4.8108 5.2642 5.2642 5.7159 5.7159 6.0262 6.0262 k = 0.3699 0.4292-0.0000 ( 4400 PWs) bands (ev): -17.5237 -17.5237 -17.5044 -17.5044 -14.2750 -14.2750 -14.1938 -14.1938 -7.4789 -7.4787 -7.3910 -7.3908 -6.7867 -6.7867 -6.4727 -6.4727 -6.3036 -6.3035 -5.8989 -5.8988 -3.5803 -3.5767 -3.4477 -3.4475 -3.3038 -3.3038 -3.0910 -3.0884 -2.7986 -2.7974 -2.7327 -2.7327 4.8016 4.8019 5.2829 5.2830 5.7547 5.7548 6.0436 6.0436 k = 0.3781 0.4388-0.0000 ( 4400 PWs) bands (ev): -17.5230 -17.5230 -17.5025 -17.5025 -14.2709 -14.2709 -14.1915 -14.1915 -7.4826 -7.4824 -7.3951 -7.3949 -6.8011 -6.8011 -6.4830 -6.4830 -6.2921 -6.2919 -5.8968 -5.8968 -3.5855 -3.5819 -3.4435 -3.4434 -3.3108 -3.3108 -3.1130 -3.1105 -2.8084 -2.8071 -2.7312 -2.7312 4.7936 4.7939 5.3012 5.3012 5.7928 5.7928 6.0602 6.0602 k = 0.3863 0.4483-0.0000 ( 4402 PWs) bands (ev): -17.5224 -17.5224 -17.5006 -17.5006 -14.2668 -14.2668 -14.1893 -14.1893 -7.4864 -7.4862 -7.3989 -7.3987 -6.8146 -6.8146 -6.4927 -6.4927 -6.2802 -6.2800 -5.8949 -5.8948 -3.5903 -3.5867 -3.4399 -3.4398 -3.3175 -3.3174 -3.1351 -3.1327 -2.8175 -2.8162 -2.7298 -2.7298 4.7865 4.7867 5.3188 5.3188 5.8297 5.8297 6.0760 6.0760 k = 0.3945 0.4579-0.0000 ( 4402 PWs) bands (ev): -17.5218 -17.5218 -17.4988 -17.4988 -14.2629 -14.2629 -14.1874 -14.1874 -7.4902 -7.4901 -7.4023 -7.4022 -6.8274 -6.8274 -6.5019 -6.5019 -6.2681 -6.2680 -5.8932 -5.8931 -3.5945 -3.5908 -3.4373 -3.4370 -3.3238 -3.3237 -3.1569 -3.1548 -2.8261 -2.8247 -2.7285 -2.7284 4.7801 4.7803 5.3358 5.3358 5.8655 5.8655 6.0909 6.0909 k = 0.4027 0.4674-0.0000 ( 4398 PWs) bands (ev): -17.5214 -17.5214 -17.4971 -17.4971 -14.2590 -14.2590 -14.1855 -14.1855 -7.4940 -7.4939 -7.4054 -7.4053 -6.8392 -6.8392 -6.5104 -6.5104 -6.2561 -6.2558 -5.8916 -5.8914 -3.5979 -3.5942 -3.4358 -3.4353 -3.3296 -3.3296 -3.1781 -3.1762 -2.8340 -2.8326 -2.7272 -2.7272 4.7745 4.7747 5.3519 5.3519 5.8999 5.8999 6.1050 6.1050 k = 0.4110 0.4769-0.0000 ( 4398 PWs) bands (ev): -17.5210 -17.5210 -17.4955 -17.4955 -14.2553 -14.2553 -14.1839 -14.1839 -7.4977 -7.4976 -7.4082 -7.4080 -6.8502 -6.8502 -6.5184 -6.5184 -6.2441 -6.2439 -5.8902 -5.8900 -3.6004 -3.5966 -3.4358 -3.4349 -3.3351 -3.3351 -3.1982 -3.1965 -2.8413 -2.8400 -2.7260 -2.7260 4.7695 4.7697 5.3672 5.3672 5.9326 5.9326 6.1180 6.1180 k = 0.4192 0.4865-0.0000 ( 4390 PWs) bands (ev): -17.5207 -17.5207 -17.4941 -17.4941 -14.2518 -14.2518 -14.1824 -14.1824 -7.5013 -7.5013 -7.4106 -7.4105 -6.8603 -6.8603 -6.5257 -6.5257 -6.2324 -6.2322 -5.8890 -5.8888 -3.6020 -3.5981 -3.4374 -3.4362 -3.3402 -3.3402 -3.2166 -3.2153 -2.8480 -2.8467 -2.7248 -2.7248 4.7651 4.7653 5.3815 5.3815 5.9636 5.9636 6.1301 6.1301 k = 0.4274 0.4960-0.0000 ( 4394 PWs) bands (ev): -17.5205 -17.5205 -17.4928 -17.4928 -14.2485 -14.2485 -14.1811 -14.1811 -7.5048 -7.5047 -7.4127 -7.4126 -6.8695 -6.8695 -6.5323 -6.5323 -6.2212 -6.2210 -5.8880 -5.8878 -3.6025 -3.5986 -3.4410 -3.4393 -3.3448 -3.3448 -3.2330 -3.2320 -2.8541 -2.8528 -2.7238 -2.7238 4.7613 4.7615 5.3947 5.3947 5.9926 5.9927 6.1412 6.1412 k = 0.4356 0.5056-0.0000 ( 4402 PWs) bands (ev): -17.5203 -17.5202 -17.4916 -17.4916 -14.2454 -14.2454 -14.1800 -14.1800 -7.5081 -7.5080 -7.4145 -7.4145 -6.8778 -6.8778 -6.5383 -6.5383 -6.2106 -6.2103 -5.8872 -5.8870 -3.6018 -3.5979 -3.4467 -3.4446 -3.3490 -3.3490 -3.2471 -3.2464 -2.8595 -2.8583 -2.7229 -2.7229 4.7580 4.7582 5.4067 5.4067 6.0195 6.0195 6.1511 6.1511 k = 0.4356 0.5056-0.0000 ( 4402 PWs) bands (ev): -17.5203 -17.5202 -17.4916 -17.4916 -14.2454 -14.2454 -14.1800 -14.1800 -7.5081 -7.5080 -7.4145 -7.4145 -6.8778 -6.8778 -6.5383 -6.5383 -6.2106 -6.2103 -5.8872 -5.8870 -3.6018 -3.5979 -3.4467 -3.4446 -3.3490 -3.3490 -3.2471 -3.2464 -2.8595 -2.8583 -2.7229 -2.7229 4.7580 4.7582 5.4067 5.4067 6.0195 6.0195 6.1511 6.1511 k = 0.4232 0.5056-0.0000 ( 4400 PWs) bands (ev): -17.5204 -17.5204 -17.4924 -17.4924 -14.2474 -14.2474 -14.1808 -14.1808 -7.5059 -7.5058 -7.4134 -7.4134 -6.8721 -6.8721 -6.5344 -6.5344 -6.2174 -6.2171 -5.8876 -5.8875 -3.6023 -3.5984 -3.4437 -3.4418 -3.3457 -3.3445 -3.2380 -3.2370 -2.8562 -2.8549 -2.7237 -2.7237 4.7603 4.7605 5.3989 5.3990 6.0022 6.0024 6.1438 6.1440 k = 0.4107 0.5056-0.0000 ( 4402 PWs) bands (ev): -17.5208 -17.5208 -17.4933 -17.4933 -14.2496 -14.2496 -14.1818 -14.1818 -7.5035 -7.5034 -7.4124 -7.4123 -6.8651 -6.8651 -6.5299 -6.5299 -6.2244 -6.2242 -5.8880 -5.8879 -3.6021 -3.5983 -3.4434 -3.4415 -3.3397 -3.3375 -3.2274 -3.2261 -2.8528 -2.8516 -2.7251 -2.7250 4.7634 4.7636 5.3903 5.3904 5.9839 5.9843 6.1340 6.1345 k = 0.3983 0.5056-0.0000 ( 4406 PWs) bands (ev): -17.5212 -17.5212 -17.4943 -17.4943 -14.2520 -14.2520 -14.1830 -14.1830 -7.5008 -7.5007 -7.4113 -7.4112 -6.8568 -6.8568 -6.5250 -6.5250 -6.2316 -6.2314 -5.8884 -5.8883 -3.6013 -3.5975 -3.4453 -3.4435 -3.3310 -3.3281 -3.2153 -3.2138 -2.8494 -2.8481 -2.7269 -2.7268 4.7672 4.7674 5.3808 5.3809 5.9646 5.9652 6.1220 6.1226 k = 0.3858 0.5056-0.0000 ( 4404 PWs) bands (ev): -17.5218 -17.5218 -17.4954 -17.4954 -14.2545 -14.2545 -14.1844 -14.1844 -7.4979 -7.4978 -7.4102 -7.4101 -6.8474 -6.8474 -6.5197 -6.5196 -6.2388 -6.2385 -5.8887 -5.8885 -3.6000 -3.5962 -3.4490 -3.4472 -3.3202 -3.3169 -3.2021 -3.2004 -2.8460 -2.8446 -2.7292 -2.7290 4.7717 4.7719 5.3704 5.3706 5.9445 5.9452 6.1077 6.1084 k = 0.3734 0.5056-0.0000 ( 4401 PWs) bands (ev): -17.5224 -17.5224 -17.4966 -17.4966 -14.2572 -14.2571 -14.1860 -14.1860 -7.4948 -7.4947 -7.4091 -7.4090 -6.8370 -6.8370 -6.5140 -6.5138 -6.2458 -6.2455 -5.8889 -5.8888 -3.5981 -3.5944 -3.4538 -3.4521 -3.3079 -3.3042 -3.1879 -3.1860 -2.8425 -2.8411 -2.7320 -2.7317 4.7767 4.7770 5.3590 5.3592 5.9238 5.9246 6.0911 6.0920 k = 0.3609 0.5056-0.0000 ( 4407 PWs) bands (ev): -17.5232 -17.5232 -17.4980 -17.4980 -14.2600 -14.2600 -14.1877 -14.1877 -7.4917 -7.4915 -7.4080 -7.4079 -6.8257 -6.8257 -6.5080 -6.5078 -6.2524 -6.2521 -5.8891 -5.8889 -3.5957 -3.5921 -3.4593 -3.4578 -3.2945 -3.2906 -3.1729 -3.1708 -2.8389 -2.8374 -2.7352 -2.7348 4.7823 4.7826 5.3465 5.3468 5.9026 5.9035 6.0725 6.0735 k = 0.3485 0.5056-0.0000 ( 4404 PWs) bands (ev): -17.5241 -17.5241 -17.4994 -17.4994 -14.2629 -14.2629 -14.1897 -14.1897 -7.4884 -7.4883 -7.4069 -7.4067 -6.8137 -6.8136 -6.5019 -6.5016 -6.2585 -6.2581 -5.8891 -5.8889 -3.5929 -3.5893 -3.4652 -3.4639 -3.2802 -3.2763 -3.1572 -3.1549 -2.8352 -2.8337 -2.7388 -2.7383 4.7884 4.7886 5.3330 5.3334 5.8810 5.8820 6.0518 6.0529 k = 0.3361 0.5056-0.0000 ( 4404 PWs) bands (ev): -17.5250 -17.5250 -17.5008 -17.5008 -14.2659 -14.2659 -14.1917 -14.1917 -7.4852 -7.4851 -7.4057 -7.4055 -6.8011 -6.8010 -6.4957 -6.4953 -6.2637 -6.2633 -5.8889 -5.8887 -3.5898 -3.5862 -3.4714 -3.4703 -3.2654 -3.2614 -3.1410 -3.1386 -2.8314 -2.8299 -2.7429 -2.7422 4.7948 4.7951 5.3182 5.3188 5.8593 5.8603 6.0293 6.0305 k = 0.3236 0.5056-0.0000 ( 4402 PWs) bands (ev): -17.5261 -17.5261 -17.5024 -17.5024 -14.2691 -14.2691 -14.1939 -14.1939 -7.4820 -7.4819 -7.4045 -7.4043 -6.7882 -6.7880 -6.4895 -6.4890 -6.2681 -6.2675 -5.8886 -5.8883 -3.5863 -3.5828 -3.4777 -3.4767 -3.2502 -3.2461 -3.1244 -3.1219 -2.8276 -2.8259 -2.7473 -2.7464 4.8014 4.8018 5.3023 5.3030 5.8377 5.8387 6.0051 6.0064 k = 0.3112 0.5056-0.0000 ( 4404 PWs) bands (ev): -17.5272 -17.5272 -17.5040 -17.5040 -14.2723 -14.2723 -14.1962 -14.1962 -7.4789 -7.4787 -7.4032 -7.4030 -6.7751 -6.7749 -6.4835 -6.4828 -6.2712 -6.2706 -5.8880 -5.8877 -3.5826 -3.5792 -3.4840 -3.4829 -3.2347 -3.2306 -3.1077 -3.1051 -2.8236 -2.8218 -2.7520 -2.7509 4.8083 4.8086 5.2852 5.2860 5.8162 5.8173 5.9794 5.9808 k = 0.2987 0.5056-0.0000 ( 4404 PWs) bands (ev): -17.5284 -17.5284 -17.5056 -17.5056 -14.2755 -14.2755 -14.1986 -14.1986 -7.4759 -7.4758 -7.4018 -7.4016 -6.7621 -6.7619 -6.4775 -6.4767 -6.2730 -6.2722 -5.8872 -5.8869 -3.5789 -3.5756 -3.4901 -3.4889 -3.2190 -3.2149 -3.0909 -3.0882 -2.8197 -2.8176 -2.7570 -2.7555 4.8151 4.8156 5.2669 5.2679 5.7951 5.7962 5.9525 5.9539 k = 0.2863 0.5056-0.0000 ( 4395 PWs) bands (ev): -17.5296 -17.5296 -17.5073 -17.5073 -14.2788 -14.2788 -14.2011 -14.2011 -7.4731 -7.4730 -7.4003 -7.4001 -6.7495 -6.7493 -6.4717 -6.4708 -6.2732 -6.2723 -5.8861 -5.8858 -3.5753 -3.5721 -3.4958 -3.4944 -3.2032 -3.1991 -3.0743 -3.0715 -2.8158 -2.8132 -2.7622 -2.7601 4.8218 4.8224 5.2475 5.2487 5.7745 5.7756 5.9246 5.9261 k = 0.2738 0.5056-0.0000 ( 4393 PWs) bands (ev): -17.5309 -17.5309 -17.5090 -17.5090 -14.2822 -14.2821 -14.2036 -14.2036 -7.4705 -7.4704 -7.3987 -7.3985 -6.7376 -6.7373 -6.4659 -6.4649 -6.2718 -6.2709 -5.8848 -5.8844 -3.5721 -3.5688 -3.5010 -3.4992 -3.1875 -3.1834 -3.0579 -3.0550 -2.8121 -2.8088 -2.7674 -2.7645 4.8283 4.8289 5.2271 5.2285 5.7546 5.7556 5.8959 5.8975 k = 0.2614 0.5056-0.0000 ( 4387 PWs) bands (ev): -17.5322 -17.5322 -17.5108 -17.5108 -14.2855 -14.2855 -14.2062 -14.2062 -7.4682 -7.4680 -7.3970 -7.3968 -6.7265 -6.7262 -6.4602 -6.4591 -6.2688 -6.2678 -5.8830 -5.8827 -3.5695 -3.5663 -3.5053 -3.5031 -3.1718 -3.1677 -3.0420 -3.0390 -2.8088 -2.8045 -2.7724 -2.7684 4.8343 4.8351 5.2059 5.2075 5.7353 5.7363 5.8668 5.8683 k = 0.2489 0.5056-0.0000 ( 4389 PWs) bands (ev): -17.5335 -17.5335 -17.5125 -17.5125 -14.2888 -14.2888 -14.2088 -14.2088 -7.4661 -7.4659 -7.3952 -7.3950 -6.7166 -6.7163 -6.4544 -6.4531 -6.2642 -6.2631 -5.8810 -5.8806 -3.5679 -3.5647 -3.5084 -3.5057 -3.1563 -3.1521 -3.0266 -3.0235 -2.8066 -2.8010 -2.7765 -2.7712 4.8397 4.8406 5.1841 5.1860 5.7168 5.7178 5.8375 5.8390 k = 0.2365 0.5056-0.0000 ( 4384 PWs) bands (ev): -17.5349 -17.5349 -17.5142 -17.5142 -14.2921 -14.2921 -14.2114 -14.2114 -7.4643 -7.4641 -7.3933 -7.3930 -6.7080 -6.7077 -6.4482 -6.4469 -6.2581 -6.2569 -5.8786 -5.8782 -3.5676 -3.5645 -3.5099 -3.5069 -3.1410 -3.1368 -3.0119 -3.0087 -2.8062 -2.7996 -2.7783 -2.7720 4.8442 4.8453 5.1620 5.1642 5.6992 5.7000 5.8083 5.8097 k = 0.2240 0.5056-0.0000 ( 4381 PWs) bands (ev): -17.5362 -17.5362 -17.5160 -17.5160 -14.2953 -14.2953 -14.2140 -14.2140 -7.4627 -7.4625 -7.3912 -7.3910 -6.7010 -6.7006 -6.4417 -6.4404 -6.2506 -6.2494 -5.8759 -5.8755 -3.5689 -3.5658 -3.5097 -3.5064 -3.1260 -3.1218 -2.9980 -2.9948 -2.8079 -2.8016 -2.7764 -2.7704 4.8477 4.8490 5.1400 5.1425 5.6823 5.6830 5.7794 5.7808 k = 0.2116 0.5056-0.0000 ( 4385 PWs) bands (ev): -17.5376 -17.5376 -17.5177 -17.5177 -14.2985 -14.2984 -14.2166 -14.2166 -7.4615 -7.4613 -7.3891 -7.3889 -6.6954 -6.6951 -6.4347 -6.4334 -6.2419 -6.2407 -5.8728 -5.8724 -3.5714 -3.5686 -3.5079 -3.5045 -3.1113 -3.1071 -2.9850 -2.9817 -2.8114 -2.8061 -2.7717 -2.7667 4.8497 4.8512 5.1185 5.1213 5.6663 5.6668 5.7512 5.7525 k = 0.1991 0.5056-0.0000 ( 4374 PWs) bands (ev): -17.5389 -17.5389 -17.5193 -17.5193 -14.3015 -14.3015 -14.2192 -14.2192 -7.4604 -7.4602 -7.3869 -7.3867 -6.6914 -6.6911 -6.4274 -6.4260 -6.2321 -6.2309 -5.8694 -5.8690 -3.5750 -3.5725 -3.5048 -3.5015 -3.0970 -3.0928 -2.9730 -2.9696 -2.8160 -2.8116 -2.7657 -2.7616 4.8501 4.8519 5.0979 5.1010 5.6509 5.6513 5.7241 5.7251 k = 0.1867 0.5056-0.0000 ( 4392 PWs) bands (ev): -17.5402 -17.5402 -17.5210 -17.5210 -14.3045 -14.3045 -14.2217 -14.2217 -7.4597 -7.4595 -7.3847 -7.3845 -6.6889 -6.6885 -6.4197 -6.4184 -6.2215 -6.2203 -5.8658 -5.8654 -3.5794 -3.5771 -3.5008 -3.4976 -3.0832 -3.0789 -2.9620 -2.9585 -2.8213 -2.8176 -2.7589 -2.7555 4.8486 4.8506 5.0787 5.0821 5.6360 5.6365 5.6982 5.6989 k = 0.1743 0.5056-0.0000 ( 4391 PWs) bands (ev): -17.5415 -17.5415 -17.5225 -17.5225 -14.3074 -14.3074 -14.2241 -14.2241 -7.4591 -7.4589 -7.3824 -7.3822 -6.6876 -6.6872 -6.4118 -6.4106 -6.2102 -6.2091 -5.8620 -5.8615 -3.5842 -3.5822 -3.4963 -3.4933 -3.0699 -3.0656 -2.9521 -2.9485 -2.8269 -2.8238 -2.7516 -2.7488 4.8450 4.8472 5.0613 5.0649 5.6214 5.6223 5.6741 5.6743 k = 0.1618 0.5056-0.0000 ( 4398 PWs) bands (ev): -17.5427 -17.5427 -17.5240 -17.5240 -14.3101 -14.3101 -14.2264 -14.2264 -7.4588 -7.4586 -7.3802 -7.3800 -6.6873 -6.6870 -6.4039 -6.4027 -6.1985 -6.1974 -5.8580 -5.8575 -3.5893 -3.5875 -3.4916 -3.4887 -3.0571 -3.0528 -2.9434 -2.9396 -2.8325 -2.8300 -2.7441 -2.7417 4.8393 4.8416 5.0461 5.0498 5.6069 5.6084 5.6516 5.6520 k = 0.1494 0.5056-0.0000 ( 4392 PWs) bands (ev): -17.5439 -17.5439 -17.5255 -17.5255 -14.3127 -14.3127 -14.2286 -14.2286 -7.4585 -7.4584 -7.3780 -7.3778 -6.6879 -6.6877 -6.3961 -6.3950 -6.1865 -6.1854 -5.8538 -5.8534 -3.5945 -3.5929 -3.4867 -3.4840 -3.0449 -3.0405 -2.9357 -2.9318 -2.8380 -2.8361 -2.7365 -2.7345 4.8315 4.8338 5.0331 5.0369 5.5924 5.5946 5.6313 5.6325 k = 0.1369 0.5056-0.0000 ( 4391 PWs) bands (ev): -17.5450 -17.5450 -17.5268 -17.5268 -14.3151 -14.3151 -14.2307 -14.2307 -7.4584 -7.4583 -7.3759 -7.3757 -6.6892 -6.6889 -6.3886 -6.3877 -6.1744 -6.1734 -5.8496 -5.8492 -3.5996 -3.5982 -3.4818 -3.4794 -3.0333 -3.0288 -2.9292 -2.9250 -2.8433 -2.8420 -2.7289 -2.7272 4.8219 4.8242 5.0223 5.0260 5.5775 5.5805 5.6138 5.6157 k = 0.1245 0.5056-0.0000 ( 4393 PWs) bands (ev): -17.5461 -17.5461 -17.5281 -17.5281 -14.3174 -14.3174 -14.2327 -14.2326 -7.4585 -7.4584 -7.3739 -7.3737 -6.6909 -6.6907 -6.3816 -6.3807 -6.1624 -6.1615 -5.8455 -5.8451 -3.6046 -3.6034 -3.4771 -3.4749 -3.0223 -3.0178 -2.9238 -2.9192 -2.8484 -2.8475 -2.7214 -2.7200 4.8110 4.8132 5.0134 5.0170 5.5627 5.5661 5.5992 5.6016 k = 0.1120 0.5056-0.0000 ( 4392 PWs) bands (ev): -17.5470 -17.5470 -17.5292 -17.5292 -14.3195 -14.3195 -14.2345 -14.2345 -7.4586 -7.4585 -7.3720 -7.3718 -6.6929 -6.6927 -6.3751 -6.3743 -6.1508 -6.1500 -5.8414 -5.8411 -3.6093 -3.6083 -3.4726 -3.4706 -3.0120 -3.0074 -2.9195 -2.9145 -2.8530 -2.8527 -2.7143 -2.7131 4.7994 4.8014 5.0062 5.0096 5.5483 5.5518 5.5872 5.5898 k = 0.0996 0.5056-0.0000 ( 4388 PWs) bands (ev): -17.5479 -17.5479 -17.5303 -17.5303 -14.3214 -14.3214 -14.2361 -14.2361 -7.4587 -7.4586 -7.3703 -7.3701 -6.6951 -6.6949 -6.3692 -6.3685 -6.1397 -6.1390 -5.8375 -5.8372 -3.6138 -3.6129 -3.4684 -3.4666 -3.0023 -2.9977 -2.9163 -2.9109 -2.8574 -2.8570 -2.7076 -2.7065 4.7876 4.7894 5.0004 5.0034 5.5348 5.5382 5.5774 5.5798 k = 0.0871 0.5056-0.0000 ( 4389 PWs) bands (ev): -17.5487 -17.5487 -17.5312 -17.5312 -14.3231 -14.3231 -14.2376 -14.2376 -7.4589 -7.4588 -7.3687 -7.3686 -6.6973 -6.6971 -6.3639 -6.3634 -6.1293 -6.1287 -5.8339 -5.8336 -3.6179 -3.6171 -3.4646 -3.4630 -2.9934 -2.9888 -2.9142 -2.9083 -2.8615 -2.8605 -2.7014 -2.7005 4.7761 4.7777 4.9956 4.9983 5.5225 5.5257 5.5691 5.5714 k = 0.0747 0.5056-0.0000 ( 4391 PWs) bands (ev): -17.5494 -17.5494 -17.5321 -17.5321 -14.3246 -14.3246 -14.2389 -14.2389 -7.4591 -7.4591 -7.3673 -7.3672 -6.6993 -6.6992 -6.3594 -6.3589 -6.1200 -6.1194 -5.8306 -5.8304 -3.6216 -3.6209 -3.4611 -3.4598 -2.9851 -2.9806 -2.9131 -2.9070 -2.8648 -2.8633 -2.6958 -2.6951 4.7654 4.7667 4.9916 4.9940 5.5118 5.5146 5.5623 5.5643 k = 0.0622 0.5056-0.0000 ( 4391 PWs) bands (ev): -17.5500 -17.5500 -17.5328 -17.5328 -14.3258 -14.3258 -14.2400 -14.2400 -7.4593 -7.4593 -7.3661 -7.3660 -6.7012 -6.7011 -6.3556 -6.3552 -6.1117 -6.1112 -5.8277 -5.8275 -3.6248 -3.6242 -3.4581 -3.4570 -2.9776 -2.9732 -2.9130 -2.9068 -2.8672 -2.8655 -2.6909 -2.6903 4.7558 4.7569 4.9884 4.9904 5.5027 5.5051 5.5566 5.5584 k = 0.0498 0.5056-0.0000 ( 4393 PWs) bands (ev): -17.5505 -17.5505 -17.5334 -17.5334 -14.3269 -14.3269 -14.2409 -14.2409 -7.4595 -7.4595 -7.3650 -7.3650 -6.7029 -6.7028 -6.3524 -6.3521 -6.1047 -6.1043 -5.8253 -5.8251 -3.6274 -3.6270 -3.4556 -3.4547 -2.9710 -2.9668 -2.9136 -2.9076 -2.8688 -2.8671 -2.6868 -2.6864 4.7476 4.7485 4.9858 4.9874 5.4953 5.4973 5.5521 5.5535 k = 0.0373 0.5056-0.0000 ( 4399 PWs) bands (ev): -17.5509 -17.5509 -17.5339 -17.5339 -14.3277 -14.3277 -14.2416 -14.2416 -7.4597 -7.4596 -7.3643 -7.3642 -6.7042 -6.7041 -6.3500 -6.3498 -6.0990 -6.0988 -5.8233 -5.8232 -3.6295 -3.6292 -3.4536 -3.4529 -2.9652 -2.9615 -2.9144 -2.9092 -2.8697 -2.8682 -2.6836 -2.6832 4.7411 4.7417 4.9838 4.9851 5.4896 5.4911 5.5487 5.5498 k = 0.0249 0.5056-0.0000 ( 4397 PWs) bands (ev): -17.5512 -17.5512 -17.5342 -17.5342 -14.3283 -14.3283 -14.2422 -14.2422 -7.4598 -7.4598 -7.3637 -7.3636 -6.7052 -6.7051 -6.3482 -6.3481 -6.0949 -6.0948 -5.8219 -5.8218 -3.6310 -3.6308 -3.4521 -3.4516 -2.9605 -2.9577 -2.9152 -2.9113 -2.8700 -2.8689 -2.6812 -2.6810 4.7363 4.7367 4.9825 4.9833 5.4856 5.4866 5.5463 5.5471 k = 0.0124 0.5056-0.0000 ( 4395 PWs) bands (ev): -17.5514 -17.5514 -17.5344 -17.5344 -14.3286 -14.3286 -14.2425 -14.2425 -7.4599 -7.4599 -7.3633 -7.3633 -6.7057 -6.7057 -6.3472 -6.3471 -6.0924 -6.0923 -5.8210 -5.8210 -3.6319 -3.6318 -3.4511 -3.4509 -2.9571 -2.9555 -2.9154 -2.9133 -2.8700 -2.8695 -2.6797 -2.6796 4.7335 4.7337 4.9818 4.9822 5.4833 5.4838 5.5450 5.5454 k = 0.0000 0.5056-0.0000 ( 4392 PWs) bands (ev): -17.5514 -17.5514 -17.5344 -17.5344 -14.3287 -14.3287 -14.2426 -14.2426 -7.4599 -7.4599 -7.3632 -7.3632 -6.7059 -6.7059 -6.3468 -6.3468 -6.0915 -6.0915 -5.8207 -5.8207 -3.6322 -3.6322 -3.4508 -3.4508 -2.9554 -2.9554 -2.9147 -2.9147 -2.8698 -2.8698 -2.6792 -2.6792 4.7326 4.7326 4.9817 4.9817 5.4827 5.4827 5.5447 5.5447 k = 0.0000 0.5056-0.0000 ( 4392 PWs) bands (ev): -17.5514 -17.5514 -17.5344 -17.5344 -14.3287 -14.3287 -14.2426 -14.2426 -7.4599 -7.4599 -7.3632 -7.3632 -6.7059 -6.7059 -6.3468 -6.3468 -6.0915 -6.0915 -5.8207 -5.8207 -3.6322 -3.6322 -3.4508 -3.4508 -2.9554 -2.9554 -2.9147 -2.9147 -2.8698 -2.8698 -2.6792 -2.6792 4.7326 4.7326 4.9817 4.9817 5.4827 5.4827 5.5447 5.5447 k = 0.0000 0.5056 0.0123 ( 4396 PWs) bands (ev): -17.5514 -17.5514 -17.5345 -17.5345 -14.3286 -14.3286 -14.2427 -14.2427 -7.4597 -7.4597 -7.3632 -7.3632 -6.7056 -6.7056 -6.3473 -6.3473 -6.0913 -6.0913 -5.8213 -5.8213 -3.6317 -3.6316 -3.4509 -3.4508 -2.9572 -2.9559 -2.9154 -2.9149 -2.8691 -2.8679 -2.6795 -2.6790 4.7330 4.7331 4.9813 4.9815 5.4829 5.4830 5.5448 5.5449 k = 0.0000 0.5056 0.0245 ( 4396 PWs) bands (ev): -17.5513 -17.5513 -17.5345 -17.5345 -14.3283 -14.3283 -14.2431 -14.2431 -7.4590 -7.4590 -7.3631 -7.3631 -6.7046 -6.7045 -6.3489 -6.3489 -6.0905 -6.0904 -5.8231 -5.8231 -3.6300 -3.6299 -3.4512 -3.4510 -2.9610 -2.9586 -2.9167 -2.9157 -2.8658 -2.8635 -2.6798 -2.6789 4.7345 4.7347 4.9805 4.9809 5.4836 5.4838 5.5453 5.5455 k = 0.0000 0.5056 0.0368 ( 4392 PWs) bands (ev): -17.5512 -17.5512 -17.5347 -17.5347 -14.3277 -14.3277 -14.2437 -14.2437 -7.4579 -7.4579 -7.3630 -7.3630 -6.7029 -6.7028 -6.3515 -6.3514 -6.0892 -6.0890 -5.8261 -5.8260 -3.6273 -3.6272 -3.4516 -3.4513 -2.9663 -2.9631 -2.9187 -2.9172 -2.8604 -2.8574 -2.6802 -2.6789 4.7369 4.7373 4.9793 4.9798 5.4847 5.4850 5.5461 5.5465 k = 0.0000 0.5056 0.0491 ( 4392 PWs) bands (ev): -17.5510 -17.5510 -17.5348 -17.5348 -14.3269 -14.3269 -14.2446 -14.2446 -7.4564 -7.4563 -7.3629 -7.3629 -6.7005 -6.7003 -6.3551 -6.3551 -6.0873 -6.0871 -5.8302 -5.8301 -3.6235 -3.6234 -3.4522 -3.4519 -2.9725 -2.9687 -2.9214 -2.9194 -2.8535 -2.8499 -2.6807 -2.6790 4.7403 4.7408 4.9775 4.9782 5.4863 5.4867 5.5473 5.5478 k = 0.0000 0.5056 0.0613 ( 4388 PWs) bands (ev): -17.5508 -17.5508 -17.5350 -17.5350 -14.3259 -14.3259 -14.2457 -14.2457 -7.4544 -7.4544 -7.3628 -7.3628 -6.6973 -6.6972 -6.3598 -6.3597 -6.0848 -6.0846 -5.8353 -5.8352 -3.6188 -3.6186 -3.4530 -3.4525 -2.9792 -2.9750 -2.9247 -2.9222 -2.8457 -2.8417 -2.6813 -2.6792 4.7447 4.7453 4.9753 4.9761 5.4884 5.4888 5.5487 5.5493 k = 0.0000 0.5056 0.0736 ( 4384 PWs) bands (ev): -17.5506 -17.5506 -17.5353 -17.5353 -14.3247 -14.3247 -14.2470 -14.2470 -7.4521 -7.4520 -7.3628 -7.3627 -6.6934 -6.6932 -6.3655 -6.3653 -6.0819 -6.0816 -5.8414 -5.8412 -3.6132 -3.6130 -3.4539 -3.4534 -2.9860 -2.9815 -2.9286 -2.9257 -2.8372 -2.8329 -2.6820 -2.6796 4.7499 4.7506 4.9726 4.9736 5.4909 5.4914 5.5504 5.5511 k = 0.0000 0.5056 0.0859 ( 4390 PWs) bands (ev): -17.5503 -17.5503 -17.5356 -17.5356 -14.3233 -14.3233 -14.2486 -14.2486 -7.4494 -7.4493 -7.3628 -7.3628 -6.6888 -6.6885 -6.3721 -6.3720 -6.0784 -6.0781 -5.8484 -5.8482 -3.6068 -3.6065 -3.4550 -3.4544 -2.9927 -2.9879 -2.9331 -2.9298 -2.8283 -2.8239 -2.6828 -2.6801 4.7559 4.7567 4.9695 4.9706 5.4938 5.4945 5.5523 5.5531 k = 0.0000 0.5056 0.0981 ( 4388 PWs) bands (ev): -17.5499 -17.5499 -17.5359 -17.5359 -14.3216 -14.3216 -14.2504 -14.2504 -7.4463 -7.4463 -7.3630 -7.3629 -6.6833 -6.6830 -6.3798 -6.3796 -6.0745 -6.0742 -5.8561 -5.8559 -3.5997 -3.5994 -3.4563 -3.4556 -2.9991 -2.9941 -2.9381 -2.9344 -2.8193 -2.8147 -2.6838 -2.6807 4.7626 4.7635 4.9659 4.9672 5.4972 5.4979 5.5542 5.5551 k = 0.0000 0.5056 0.1104 ( 4378 PWs) bands (ev): -17.5495 -17.5495 -17.5363 -17.5363 -14.3198 -14.3198 -14.2524 -14.2524 -7.4429 -7.4429 -7.3633 -7.3633 -6.6770 -6.6767 -6.3883 -6.3881 -6.0700 -6.0697 -5.8646 -5.8644 -3.5921 -3.5917 -3.4577 -3.4570 -3.0050 -2.9999 -2.9435 -2.9395 -2.8102 -2.8055 -2.6849 -2.6816 4.7700 4.7711 4.9619 4.9632 5.5009 5.5017 5.5562 5.5572 k = 0.0000 0.5056 0.1227 ( 4384 PWs) bands (ev): -17.5491 -17.5491 -17.5367 -17.5367 -14.3178 -14.3178 -14.2546 -14.2546 -7.4393 -7.4392 -7.3639 -7.3638 -6.6699 -6.6696 -6.3978 -6.3976 -6.0651 -6.0647 -5.8736 -5.8733 -3.5840 -3.5835 -3.4594 -3.4586 -3.0104 -3.0051 -2.9494 -2.9450 -2.8012 -2.7964 -2.6863 -2.6827 4.7780 4.7792 4.9574 4.9589 5.5049 5.5058 5.5581 5.5592 k = 0.0000 0.5056 0.1349 ( 4390 PWs) bands (ev): -17.5487 -17.5487 -17.5371 -17.5371 -14.3156 -14.3156 -14.2570 -14.2570 -7.4353 -7.4352 -7.3647 -7.3647 -6.6619 -6.6616 -6.4082 -6.4079 -6.0597 -6.0593 -5.8831 -5.8828 -3.5756 -3.5750 -3.4613 -3.4605 -3.0152 -3.0098 -2.9556 -2.9509 -2.7923 -2.7875 -2.6879 -2.6840 4.7865 4.7878 4.9524 4.9540 5.5093 5.5102 5.5598 5.5610 k = 0.0000 0.5056 0.1472 ( 4394 PWs) bands (ev): -17.5482 -17.5482 -17.5376 -17.5376 -14.3132 -14.3132 -14.2595 -14.2595 -7.4312 -7.4311 -7.3658 -7.3658 -6.6531 -6.6528 -6.4193 -6.4191 -6.0539 -6.0535 -5.8929 -5.8926 -3.5670 -3.5664 -3.4634 -3.4625 -3.0192 -3.0137 -2.9620 -2.9571 -2.7837 -2.7788 -2.6897 -2.6856 4.7954 4.7968 4.9471 4.9488 5.5139 5.5149 5.5614 5.5626 k = 0.0000 0.5056 0.1595 ( 4390 PWs) bands (ev): -17.5477 -17.5477 -17.5381 -17.5381 -14.3107 -14.3107 -14.2622 -14.2622 -7.4268 -7.4267 -7.3673 -7.3672 -6.6435 -6.6432 -6.4312 -6.4310 -6.0476 -6.0472 -5.9030 -5.9027 -3.5583 -3.5576 -3.4658 -3.4649 -3.0224 -3.0168 -2.9686 -2.9635 -2.7752 -2.7703 -2.6917 -2.6875 4.8047 4.8061 4.9413 4.9431 5.5186 5.5197 5.5626 5.5639 k = 0.0000 0.5056 0.1717 ( 4392 PWs) bands (ev): -17.5471 -17.5471 -17.5386 -17.5386 -14.3081 -14.3081 -14.2650 -14.2650 -7.4223 -7.4222 -7.3690 -7.3689 -6.6331 -6.6327 -6.4438 -6.4435 -6.0409 -6.0405 -5.9133 -5.9129 -3.5496 -3.5489 -3.4685 -3.4675 -3.0248 -3.0190 -2.9753 -2.9700 -2.7671 -2.7622 -2.6941 -2.6897 4.8142 4.8157 4.9351 4.9369 5.5235 5.5247 5.5634 5.5647 k = 0.0000 0.5056 0.1840 ( 4392 PWs) bands (ev): -17.5466 -17.5466 -17.5392 -17.5392 -14.3053 -14.3053 -14.2679 -14.2679 -7.4177 -7.4176 -7.3711 -7.3710 -6.6219 -6.6215 -6.4570 -6.4567 -6.0338 -6.0333 -5.9236 -5.9232 -3.5412 -3.5404 -3.4715 -3.4704 -3.0263 -3.0204 -2.9820 -2.9765 -2.7593 -2.7544 -2.6968 -2.6923 4.8238 4.8254 4.9285 4.9303 5.5285 5.5297 5.5638 5.5652 k = 0.0000 0.5056 0.1963 ( 4394 PWs) bands (ev): -17.5460 -17.5460 -17.5398 -17.5398 -14.3024 -14.3024 -14.2709 -14.2709 -7.4131 -7.4130 -7.3736 -7.3735 -6.6100 -6.6096 -6.4706 -6.4703 -6.0263 -6.0258 -5.9339 -5.9335 -3.5329 -3.5321 -3.4748 -3.4737 -3.0268 -3.0209 -2.9886 -2.9829 -2.7519 -2.7469 -2.6999 -2.6952 4.8335 4.8352 4.9214 4.9234 5.5334 5.5347 5.5637 5.5651 k = 0.0000 0.5056 0.2085 ( 4394 PWs) bands (ev): -17.5454 -17.5454 -17.5404 -17.5404 -14.2994 -14.2994 -14.2740 -14.2740 -7.4084 -7.4083 -7.3764 -7.3763 -6.5975 -6.5971 -6.4847 -6.4843 -6.0185 -6.0180 -5.9442 -5.9438 -3.5250 -3.5241 -3.4785 -3.4774 -3.0265 -3.0205 -2.9950 -2.9892 -2.7448 -2.7399 -2.7032 -2.6985 4.8432 4.8450 4.9140 4.9160 5.5382 5.5395 5.5630 5.5644 k = 0.0000 0.5056 0.2208 ( 4394 PWs) bands (ev): -17.5448 -17.5448 -17.5410 -17.5410 -14.2963 -14.2963 -14.2772 -14.2772 -7.4038 -7.4037 -7.3795 -7.3794 -6.5843 -6.5840 -6.4990 -6.4986 -6.0102 -6.0097 -5.9543 -5.9539 -3.5175 -3.5165 -3.4826 -3.4815 -3.0252 -3.0192 -3.0011 -2.9951 -2.7382 -2.7332 -2.7070 -2.7022 4.8529 4.8547 4.9062 4.9082 5.5428 5.5441 5.5617 5.5632 k = 0.0000 0.5056 0.2331 ( 4396 PWs) bands (ev): -17.5441 -17.5441 -17.5416 -17.5416 -14.2932 -14.2932 -14.2804 -14.2804 -7.3993 -7.3992 -7.3830 -7.3829 -6.5707 -6.5704 -6.5134 -6.5131 -6.0017 -6.0012 -5.9643 -5.9638 -3.5105 -3.5095 -3.4872 -3.4861 -3.0230 -3.0170 -3.0067 -3.0007 -2.7320 -2.7270 -2.7112 -2.7063 4.8624 4.8642 4.8981 4.9000 5.5471 5.5484 5.5599 5.5613 k = 0.0000 0.5056 0.2453 ( 4392 PWs) bands (ev): -17.5435 -17.5435 -17.5422 -17.5422 -14.2900 -14.2900 -14.2836 -14.2836 -7.3949 -7.3948 -7.3867 -7.3866 -6.5567 -6.5563 -6.5280 -6.5276 -5.9927 -5.9923 -5.9740 -5.9736 -3.5039 -3.5029 -3.4923 -3.4912 -3.0200 -3.0140 -3.0118 -3.0057 -2.7261 -2.7212 -2.7157 -2.7108 4.8717 4.8736 4.8896 4.8915 5.5510 5.5524 5.5574 5.5589 k = 0.0000 0.5056 0.2576 ( 4392 PWs) bands (ev): -17.5429 -17.5429 -17.5429 -17.5429 -14.2868 -14.2868 -14.2868 -14.2868 -7.3907 -7.3907 -7.3906 -7.3906 -6.5424 -6.5424 -6.5421 -6.5421 -5.9835 -5.9835 -5.9830 -5.9830 -3.4979 -3.4979 -3.4968 -3.4968 -3.0163 -3.0163 -3.0102 -3.0102 -2.7207 -2.7207 -2.7158 -2.7158 4.8808 4.8808 4.8827 4.8827 5.5545 5.5545 5.5559 5.5559 k = 0.0000 0.5056 0.2576 ( 4392 PWs) bands (ev): -17.5429 -17.5429 -17.5429 -17.5429 -14.2868 -14.2868 -14.2868 -14.2868 -7.3907 -7.3907 -7.3906 -7.3906 -6.5424 -6.5424 -6.5421 -6.5421 -5.9835 -5.9835 -5.9830 -5.9830 -3.4979 -3.4979 -3.4968 -3.4968 -3.0163 -3.0163 -3.0102 -3.0102 -2.7207 -2.7207 -2.7158 -2.7158 4.8808 4.8808 4.8827 4.8827 5.5545 5.5545 5.5559 5.5559 k = 0.0124 0.5056 0.2576 ( 4392 PWs) bands (ev): -17.5428 -17.5428 -17.5428 -17.5428 -14.2867 -14.2867 -14.2867 -14.2867 -7.3908 -7.3908 -7.3907 -7.3907 -6.5424 -6.5424 -6.5420 -6.5420 -5.9841 -5.9841 -5.9836 -5.9836 -3.4978 -3.4978 -3.4967 -3.4967 -3.0164 -3.0164 -3.0104 -3.0104 -2.7211 -2.7211 -2.7161 -2.7161 4.8818 4.8818 4.8838 4.8838 5.5544 5.5544 5.5558 5.5558 k = 0.0249 0.5056 0.2576 ( 4396 PWs) bands (ev): -17.5426 -17.5426 -17.5426 -17.5426 -14.2864 -14.2864 -14.2864 -14.2864 -7.3910 -7.3910 -7.3909 -7.3909 -6.5424 -6.5424 -6.5420 -6.5420 -5.9859 -5.9859 -5.9854 -5.9854 -3.4977 -3.4977 -3.4966 -3.4966 -3.0169 -3.0169 -3.0109 -3.0109 -2.7221 -2.7221 -2.7172 -2.7172 4.8850 4.8850 4.8870 4.8870 5.5541 5.5541 5.5556 5.5556 k = 0.0373 0.5056 0.2576 ( 4390 PWs) bands (ev): -17.5423 -17.5423 -17.5423 -17.5423 -14.2858 -14.2858 -14.2858 -14.2858 -7.3914 -7.3914 -7.3913 -7.3913 -6.5423 -6.5423 -6.5419 -6.5419 -5.9888 -5.9888 -5.9883 -5.9883 -3.4975 -3.4975 -3.4963 -3.4963 -3.0178 -3.0178 -3.0117 -3.0117 -2.7239 -2.7239 -2.7189 -2.7189 4.8903 4.8903 4.8923 4.8923 5.5538 5.5538 5.5552 5.5552 k = 0.0498 0.5056 0.2576 ( 4386 PWs) bands (ev): -17.5419 -17.5419 -17.5419 -17.5419 -14.2850 -14.2850 -14.2850 -14.2850 -7.3920 -7.3920 -7.3918 -7.3918 -6.5422 -6.5422 -6.5419 -6.5419 -5.9928 -5.9928 -5.9923 -5.9923 -3.4972 -3.4972 -3.4960 -3.4960 -3.0189 -3.0189 -3.0128 -3.0128 -2.7263 -2.7263 -2.7213 -2.7213 4.8976 4.8976 4.8996 4.8996 5.5533 5.5533 5.5547 5.5547 k = 0.0622 0.5056 0.2576 ( 4392 PWs) bands (ev): -17.5413 -17.5413 -17.5413 -17.5413 -14.2840 -14.2840 -14.2840 -14.2840 -7.3927 -7.3927 -7.3925 -7.3925 -6.5422 -6.5422 -6.5419 -6.5419 -5.9978 -5.9978 -5.9973 -5.9973 -3.4968 -3.4968 -3.4956 -3.4956 -3.0204 -3.0204 -3.0143 -3.0143 -2.7295 -2.7295 -2.7245 -2.7245 4.9069 4.9069 4.9089 4.9089 5.5527 5.5527 5.5542 5.5542 k = 0.0747 0.5056 0.2576 ( 4390 PWs) bands (ev): -17.5407 -17.5407 -17.5407 -17.5407 -14.2828 -14.2828 -14.2828 -14.2828 -7.3935 -7.3935 -7.3934 -7.3934 -6.5423 -6.5423 -6.5419 -6.5419 -6.0037 -6.0037 -6.0032 -6.0032 -3.4964 -3.4964 -3.4951 -3.4951 -3.0222 -3.0222 -3.0161 -3.0161 -2.7333 -2.7333 -2.7283 -2.7283 4.9181 4.9181 4.9201 4.9201 5.5522 5.5522 5.5537 5.5537 k = 0.0871 0.5056 0.2576 ( 4384 PWs) bands (ev): -17.5399 -17.5399 -17.5399 -17.5399 -14.2814 -14.2814 -14.2814 -14.2814 -7.3946 -7.3946 -7.3944 -7.3944 -6.5425 -6.5425 -6.5421 -6.5421 -6.0103 -6.0103 -6.0099 -6.0099 -3.4959 -3.4959 -3.4946 -3.4946 -3.0243 -3.0243 -3.0182 -3.0182 -2.7378 -2.7378 -2.7327 -2.7327 4.9310 4.9310 4.9331 4.9331 5.5518 5.5518 5.5533 5.5533 k = 0.0996 0.5056 0.2576 ( 4380 PWs) bands (ev): -17.5390 -17.5390 -17.5390 -17.5390 -14.2798 -14.2798 -14.2798 -14.2798 -7.3957 -7.3957 -7.3956 -7.3956 -6.5430 -6.5430 -6.5426 -6.5426 -6.0176 -6.0176 -6.0172 -6.0172 -3.4954 -3.4954 -3.4940 -3.4940 -3.0267 -3.0267 -3.0205 -3.0205 -2.7430 -2.7430 -2.7379 -2.7379 4.9456 4.9456 4.9477 4.9477 5.5515 5.5515 5.5531 5.5531 k = 0.1120 0.5056 0.2576 ( 4382 PWs) bands (ev): -17.5381 -17.5381 -17.5381 -17.5381 -14.2780 -14.2780 -14.2780 -14.2780 -7.3971 -7.3971 -7.3969 -7.3969 -6.5437 -6.5437 -6.5433 -6.5433 -6.0254 -6.0254 -6.0250 -6.0250 -3.4949 -3.4949 -3.4934 -3.4934 -3.0293 -3.0293 -3.0232 -3.0232 -2.7488 -2.7488 -2.7437 -2.7437 4.9616 4.9616 4.9637 4.9637 5.5515 5.5515 5.5531 5.5531 k = 0.1245 0.5056 0.2576 ( 4392 PWs) bands (ev): -17.5370 -17.5370 -17.5370 -17.5370 -14.2761 -14.2761 -14.2761 -14.2761 -7.3986 -7.3986 -7.3984 -7.3984 -6.5448 -6.5448 -6.5444 -6.5444 -6.0335 -6.0335 -6.0331 -6.0331 -3.4943 -3.4943 -3.4928 -3.4928 -3.0322 -3.0322 -3.0260 -3.0260 -2.7553 -2.7553 -2.7502 -2.7502 4.9790 4.9790 4.9811 4.9811 5.5519 5.5519 5.5536 5.5536 k = 0.1369 0.5056 0.2576 ( 4390 PWs) bands (ev): -17.5358 -17.5358 -17.5358 -17.5358 -14.2739 -14.2739 -14.2739 -14.2739 -7.4002 -7.4002 -7.4000 -7.4000 -6.5463 -6.5463 -6.5459 -6.5459 -6.0418 -6.0418 -6.0413 -6.0413 -3.4937 -3.4937 -3.4921 -3.4921 -3.0353 -3.0353 -3.0291 -3.0291 -2.7625 -2.7625 -2.7573 -2.7573 4.9974 4.9974 4.9996 4.9996 5.5528 5.5528 5.5545 5.5545 k = 0.1494 0.5056 0.2576 ( 4388 PWs) bands (ev): -17.5346 -17.5346 -17.5346 -17.5346 -14.2717 -14.2717 -14.2717 -14.2717 -7.4020 -7.4020 -7.4018 -7.4018 -6.5483 -6.5483 -6.5479 -6.5479 -6.0499 -6.0499 -6.0495 -6.0495 -3.4932 -3.4932 -3.4915 -3.4915 -3.0385 -3.0385 -3.0323 -3.0323 -2.7703 -2.7703 -2.7651 -2.7651 5.0168 5.0168 5.0190 5.0190 5.5542 5.5542 5.5559 5.5559 k = 0.1618 0.5056 0.2576 ( 4386 PWs) bands (ev): -17.5333 -17.5333 -17.5333 -17.5333 -14.2692 -14.2692 -14.2692 -14.2692 -7.4039 -7.4039 -7.4038 -7.4038 -6.5510 -6.5510 -6.5506 -6.5506 -6.0579 -6.0579 -6.0574 -6.0574 -3.4927 -3.4927 -3.4909 -3.4909 -3.0419 -3.0419 -3.0357 -3.0357 -2.7787 -2.7787 -2.7735 -2.7735 5.0368 5.0368 5.0391 5.0391 5.5563 5.5563 5.5580 5.5580 k = 0.1743 0.5056 0.2576 ( 4388 PWs) bands (ev): -17.5319 -17.5319 -17.5319 -17.5319 -14.2667 -14.2667 -14.2667 -14.2667 -7.4060 -7.4060 -7.4058 -7.4058 -6.5544 -6.5544 -6.5539 -6.5539 -6.0654 -6.0654 -6.0649 -6.0649 -3.4922 -3.4922 -3.4904 -3.4904 -3.0454 -3.0454 -3.0392 -3.0392 -2.7877 -2.7877 -2.7824 -2.7824 5.0573 5.0573 5.0596 5.0596 5.5591 5.5591 5.5609 5.5609 k = 0.1867 0.5056 0.2576 ( 4386 PWs) bands (ev): -17.5305 -17.5305 -17.5305 -17.5305 -14.2640 -14.2640 -14.2640 -14.2640 -7.4082 -7.4082 -7.4081 -7.4081 -6.5585 -6.5585 -6.5580 -6.5580 -6.0723 -6.0723 -6.0719 -6.0719 -3.4917 -3.4917 -3.4899 -3.4899 -3.0490 -3.0490 -3.0428 -3.0428 -2.7973 -2.7973 -2.7920 -2.7920 5.0780 5.0780 5.0803 5.0803 5.5628 5.5628 5.5647 5.5647 k = 0.1991 0.5056 0.2576 ( 4388 PWs) bands (ev): -17.5291 -17.5291 -17.5291 -17.5291 -14.2613 -14.2613 -14.2613 -14.2613 -7.4106 -7.4106 -7.4104 -7.4104 -6.5634 -6.5634 -6.5630 -6.5630 -6.0785 -6.0785 -6.0781 -6.0781 -3.4914 -3.4914 -3.4895 -3.4895 -3.0526 -3.0526 -3.0464 -3.0464 -2.8074 -2.8074 -2.8022 -2.8022 5.0986 5.0986 5.1010 5.1010 5.5674 5.5674 5.5693 5.5693 k = 0.2116 0.5056 0.2576 ( 4390 PWs) bands (ev): -17.5276 -17.5276 -17.5276 -17.5276 -14.2585 -14.2585 -14.2585 -14.2585 -7.4131 -7.4131 -7.4129 -7.4129 -6.5691 -6.5691 -6.5687 -6.5687 -6.0838 -6.0838 -6.0834 -6.0834 -3.4911 -3.4911 -3.4891 -3.4891 -3.0561 -3.0561 -3.0500 -3.0500 -2.8181 -2.8181 -2.8129 -2.8129 5.1190 5.1190 5.1214 5.1214 5.5730 5.5730 5.5750 5.5750 k = 0.2240 0.5056 0.2576 ( 4392 PWs) bands (ev): -17.5261 -17.5261 -17.5261 -17.5261 -14.2556 -14.2556 -14.2556 -14.2556 -7.4157 -7.4157 -7.4155 -7.4155 -6.5757 -6.5757 -6.5753 -6.5753 -6.0881 -6.0881 -6.0878 -6.0878 -3.4909 -3.4909 -3.4889 -3.4889 -3.0596 -3.0596 -3.0534 -3.0534 -2.8293 -2.8293 -2.8241 -2.8241 5.1389 5.1389 5.1413 5.1413 5.5796 5.5796 5.5816 5.5816 k = 0.2365 0.5056 0.2576 ( 4392 PWs) bands (ev): -17.5245 -17.5245 -17.5245 -17.5245 -14.2526 -14.2526 -14.2526 -14.2526 -7.4184 -7.4184 -7.4182 -7.4182 -6.5831 -6.5831 -6.5826 -6.5826 -6.0915 -6.0915 -6.0911 -6.0911 -3.4908 -3.4908 -3.4888 -3.4888 -3.0629 -3.0629 -3.0568 -3.0568 -2.8410 -2.8410 -2.8358 -2.8358 5.1582 5.1582 5.1605 5.1605 5.5873 5.5873 5.5892 5.5892 k = 0.2489 0.5056 0.2576 ( 4386 PWs) bands (ev): -17.5230 -17.5230 -17.5230 -17.5230 -14.2496 -14.2496 -14.2496 -14.2496 -7.4212 -7.4212 -7.4211 -7.4211 -6.5912 -6.5912 -6.5907 -6.5907 -6.0938 -6.0938 -6.0934 -6.0934 -3.4909 -3.4909 -3.4888 -3.4888 -3.0660 -3.0660 -3.0599 -3.0599 -2.8532 -2.8532 -2.8479 -2.8479 5.1766 5.1766 5.1789 5.1789 5.5959 5.5959 5.5978 5.5978 k = 0.2614 0.5056 0.2576 ( 4388 PWs) bands (ev): -17.5214 -17.5214 -17.5214 -17.5214 -14.2466 -14.2466 -14.2466 -14.2466 -7.4242 -7.4242 -7.4240 -7.4240 -6.5999 -6.5999 -6.5995 -6.5995 -6.0950 -6.0950 -6.0946 -6.0946 -3.4910 -3.4910 -3.4889 -3.4889 -3.0688 -3.0688 -3.0628 -3.0628 -2.8658 -2.8658 -2.8605 -2.8605 5.1941 5.1941 5.1964 5.1964 5.6054 5.6054 5.6073 5.6073 k = 0.2738 0.5056 0.2576 ( 4392 PWs) bands (ev): -17.5199 -17.5199 -17.5199 -17.5199 -14.2437 -14.2437 -14.2437 -14.2437 -7.4272 -7.4272 -7.4270 -7.4270 -6.6092 -6.6092 -6.6089 -6.6089 -6.0952 -6.0952 -6.0949 -6.0949 -3.4913 -3.4913 -3.4891 -3.4891 -3.0714 -3.0714 -3.0654 -3.0654 -2.8787 -2.8787 -2.8734 -2.8734 5.2106 5.2106 5.2128 5.2128 5.6156 5.6156 5.6175 5.6175 k = 0.2863 0.5056 0.2576 ( 4398 PWs) bands (ev): -17.5184 -17.5184 -17.5184 -17.5184 -14.2407 -14.2407 -14.2407 -14.2407 -7.4302 -7.4302 -7.4301 -7.4301 -6.6190 -6.6190 -6.6186 -6.6186 -6.0944 -6.0944 -6.0942 -6.0942 -3.4917 -3.4917 -3.4895 -3.4895 -3.0736 -3.0736 -3.0677 -3.0677 -2.8920 -2.8920 -2.8867 -2.8867 5.2260 5.2260 5.2281 5.2281 5.6266 5.6266 5.6284 5.6284 k = 0.2987 0.5056 0.2576 ( 4400 PWs) bands (ev): -17.5170 -17.5170 -17.5170 -17.5170 -14.2378 -14.2378 -14.2378 -14.2378 -7.4333 -7.4333 -7.4332 -7.4332 -6.6290 -6.6290 -6.6287 -6.6287 -6.0928 -6.0928 -6.0925 -6.0925 -3.4922 -3.4922 -3.4901 -3.4901 -3.0755 -3.0755 -3.0696 -3.0696 -2.9056 -2.9056 -2.9003 -2.9003 5.2404 5.2404 5.2424 5.2424 5.6379 5.6379 5.6397 5.6397 k = 0.3112 0.5056 0.2576 ( 4398 PWs) bands (ev): -17.5156 -17.5156 -17.5156 -17.5156 -14.2349 -14.2349 -14.2349 -14.2349 -7.4365 -7.4365 -7.4363 -7.4363 -6.6392 -6.6392 -6.6388 -6.6388 -6.0904 -6.0904 -6.0901 -6.0901 -3.4929 -3.4929 -3.4907 -3.4907 -3.0769 -3.0769 -3.0711 -3.0711 -2.9193 -2.9193 -2.9141 -2.9141 5.2537 5.2537 5.2556 5.2556 5.6496 5.6496 5.6512 5.6512 k = 0.3236 0.5056 0.2576 ( 4394 PWs) bands (ev): -17.5142 -17.5142 -17.5142 -17.5142 -14.2322 -14.2322 -14.2322 -14.2322 -7.4396 -7.4396 -7.4395 -7.4395 -6.6493 -6.6493 -6.6490 -6.6490 -6.0873 -6.0873 -6.0870 -6.0870 -3.4936 -3.4936 -3.4914 -3.4914 -3.0780 -3.0780 -3.0722 -3.0722 -2.9332 -2.9332 -2.9280 -2.9280 5.2661 5.2661 5.2678 5.2678 5.6614 5.6614 5.6629 5.6629 k = 0.3361 0.5056 0.2576 ( 4398 PWs) bands (ev): -17.5129 -17.5129 -17.5129 -17.5129 -14.2295 -14.2295 -14.2295 -14.2295 -7.4428 -7.4428 -7.4427 -7.4427 -6.6594 -6.6594 -6.6591 -6.6591 -6.0835 -6.0835 -6.0833 -6.0833 -3.4945 -3.4945 -3.4923 -3.4923 -3.0786 -3.0786 -3.0729 -3.0729 -2.9472 -2.9472 -2.9420 -2.9420 5.2776 5.2776 5.2792 5.2792 5.6730 5.6730 5.6744 5.6744 k = 0.3485 0.5056 0.2576 ( 4396 PWs) bands (ev): -17.5117 -17.5117 -17.5117 -17.5117 -14.2269 -14.2269 -14.2269 -14.2269 -7.4459 -7.4459 -7.4458 -7.4458 -6.6691 -6.6691 -6.6689 -6.6689 -6.0793 -6.0793 -6.0792 -6.0792 -3.4954 -3.4954 -3.4932 -3.4932 -3.0788 -3.0788 -3.0732 -3.0732 -2.9611 -2.9611 -2.9560 -2.9560 5.2882 5.2882 5.2896 5.2896 5.6844 5.6844 5.6856 5.6856 k = 0.3609 0.5056 0.2576 ( 4396 PWs) bands (ev): -17.5106 -17.5106 -17.5106 -17.5106 -14.2244 -14.2244 -14.2244 -14.2244 -7.4490 -7.4490 -7.4489 -7.4489 -6.6785 -6.6785 -6.6783 -6.6783 -6.0748 -6.0748 -6.0746 -6.0746 -3.4963 -3.4963 -3.4942 -3.4942 -3.0788 -3.0788 -3.0733 -3.0733 -2.9748 -2.9748 -2.9698 -2.9698 5.2981 5.2981 5.2993 5.2993 5.6953 5.6953 5.6964 5.6964 k = 0.3734 0.5056 0.2576 ( 4402 PWs) bands (ev): -17.5095 -17.5095 -17.5095 -17.5095 -14.2221 -14.2221 -14.2221 -14.2221 -7.4520 -7.4520 -7.4519 -7.4519 -6.6873 -6.6873 -6.6871 -6.6871 -6.0699 -6.0699 -6.0698 -6.0698 -3.4973 -3.4973 -3.4952 -3.4952 -3.0785 -3.0785 -3.0733 -3.0733 -2.9880 -2.9880 -2.9832 -2.9832 5.3073 5.3073 5.3083 5.3083 5.7056 5.7056 5.7065 5.7065 k = 0.3858 0.5056 0.2576 ( 4400 PWs) bands (ev): -17.5086 -17.5086 -17.5086 -17.5086 -14.2200 -14.2200 -14.2200 -14.2200 -7.4549 -7.4549 -7.4548 -7.4548 -6.6955 -6.6955 -6.6954 -6.6954 -6.0649 -6.0649 -6.0648 -6.0648 -3.4982 -3.4982 -3.4962 -3.4962 -3.0784 -3.0784 -3.0734 -3.0734 -3.0003 -3.0003 -2.9958 -2.9958 5.3158 5.3158 5.3167 5.3167 5.7153 5.7153 5.7160 5.7160 k = 0.3983 0.5056 0.2576 ( 4396 PWs) bands (ev): -17.5078 -17.5078 -17.5078 -17.5078 -14.2180 -14.2180 -14.2180 -14.2180 -7.4576 -7.4576 -7.4576 -7.4576 -6.7030 -6.7030 -6.7029 -6.7029 -6.0598 -6.0598 -6.0597 -6.0597 -3.4990 -3.4990 -3.4971 -3.4971 -3.0788 -3.0788 -3.0744 -3.0744 -3.0112 -3.0112 -3.0073 -3.0073 5.3237 5.3237 5.3244 5.3244 5.7242 5.7242 5.7247 5.7247 k = 0.4107 0.5056 0.2576 ( 4404 PWs) bands (ev): -17.5070 -17.5070 -17.5070 -17.5070 -14.2162 -14.2162 -14.2162 -14.2162 -7.4603 -7.4603 -7.4602 -7.4602 -6.7097 -6.7097 -6.7096 -6.7096 -6.0547 -6.0547 -6.0546 -6.0546 -3.4998 -3.4998 -3.4979 -3.4979 -3.0805 -3.0805 -3.0770 -3.0770 -3.0197 -3.0197 -3.0168 -3.0168 5.3311 5.3311 5.3315 5.3315 5.7322 5.7322 5.7326 5.7326 k = 0.4232 0.5056 0.2576 ( 4414 PWs) bands (ev): -17.5065 -17.5065 -17.5064 -17.5064 -14.2146 -14.2146 -14.2146 -14.2146 -7.4627 -7.4627 -7.4627 -7.4627 -6.7155 -6.7155 -6.7155 -6.7155 -6.0496 -6.0496 -6.0496 -6.0496 -3.5004 -3.5004 -3.4986 -3.4986 -3.0844 -3.0844 -3.0819 -3.0819 -3.0250 -3.0250 -3.0235 -3.0235 5.3378 5.3378 5.3381 5.3381 5.7394 5.7394 5.7396 5.7396 k = 0.4356 0.5056 0.2576 ( 4414 PWs) bands (ev): -17.5060 -17.5060 -17.5060 -17.5060 -14.2132 -14.2132 -14.2132 -14.2132 -7.4650 -7.4650 -7.4649 -7.4649 -6.7204 -6.7204 -6.7204 -6.7204 -6.0448 -6.0448 -6.0447 -6.0447 -3.5009 -3.5009 -3.4991 -3.4991 -3.0912 -3.0912 -3.0893 -3.0893 -3.0268 -3.0268 -3.0267 -3.0267 5.3440 5.3440 5.3441 5.3441 5.7458 5.7458 5.7458 5.7458 k = 0.4356 0.5056 0.2576 ( 4414 PWs) bands (ev): -17.5060 -17.5060 -17.5060 -17.5060 -14.2132 -14.2132 -14.2132 -14.2132 -7.4650 -7.4650 -7.4649 -7.4649 -6.7204 -6.7204 -6.7204 -6.7204 -6.0448 -6.0448 -6.0447 -6.0447 -3.5009 -3.5009 -3.4991 -3.4991 -3.0912 -3.0912 -3.0893 -3.0893 -3.0268 -3.0268 -3.0267 -3.0267 5.3440 5.3440 5.3441 5.3441 5.7458 5.7458 5.7458 5.7458 k = 0.4274 0.4960 0.2576 ( 4418 PWs) bands (ev): -17.5067 -17.5067 -17.5067 -17.5067 -14.2153 -14.2153 -14.2153 -14.2153 -7.4614 -7.4614 -7.4614 -7.4614 -6.7131 -6.7131 -6.7131 -6.7131 -6.0525 -6.0525 -6.0525 -6.0525 -3.5003 -3.5003 -3.4984 -3.4984 -3.0779 -3.0779 -3.0759 -3.0759 -3.0253 -3.0253 -3.0252 -3.0252 5.3346 5.3346 5.3346 5.3346 5.7363 5.7363 5.7363 5.7363 k = 0.4192 0.4865 0.2576 ( 4414 PWs) bands (ev): -17.5074 -17.5074 -17.5074 -17.5074 -14.2176 -14.2176 -14.2176 -14.2176 -7.4576 -7.4576 -7.4576 -7.4576 -6.7050 -6.7050 -6.7050 -6.7050 -6.0608 -6.0608 -6.0608 -6.0608 -3.4995 -3.4995 -3.4975 -3.4975 -3.0637 -3.0637 -3.0615 -3.0615 -3.0236 -3.0236 -3.0234 -3.0234 5.3244 5.3244 5.3245 5.3245 5.7258 5.7258 5.7258 5.7258 k = 0.4110 0.4769 0.2576 ( 4418 PWs) bands (ev): -17.5083 -17.5083 -17.5083 -17.5083 -14.2202 -14.2202 -14.2202 -14.2202 -7.4534 -7.4534 -7.4534 -7.4534 -6.6962 -6.6962 -6.6962 -6.6962 -6.0697 -6.0697 -6.0697 -6.0697 -3.4985 -3.4985 -3.4965 -3.4965 -3.0487 -3.0487 -3.0464 -3.0464 -3.0216 -3.0216 -3.0213 -3.0213 5.3136 5.3136 5.3137 5.3137 5.7144 5.7144 5.7144 5.7144 k = 0.4027 0.4674 0.2576 ( 4418 PWs) bands (ev): -17.5093 -17.5093 -17.5093 -17.5093 -14.2229 -14.2229 -14.2229 -14.2229 -7.4489 -7.4489 -7.4489 -7.4489 -6.6865 -6.6865 -6.6865 -6.6865 -6.0789 -6.0789 -6.0789 -6.0789 -3.4974 -3.4974 -3.4953 -3.4953 -3.0335 -3.0335 -3.0310 -3.0310 -3.0190 -3.0190 -3.0186 -3.0186 5.3023 5.3023 5.3023 5.3023 5.7021 5.7021 5.7021 5.7021 k = 0.3945 0.4579 0.2576 ( 4406 PWs) bands (ev): -17.5103 -17.5103 -17.5103 -17.5103 -14.2258 -14.2258 -14.2258 -14.2258 -7.4441 -7.4441 -7.4441 -7.4441 -6.6760 -6.6760 -6.6760 -6.6760 -6.0884 -6.0884 -6.0884 -6.0884 -3.4961 -3.4961 -3.4940 -3.4940 -3.0215 -3.0215 -3.0199 -3.0199 -3.0120 -3.0120 -3.0115 -3.0115 5.2906 5.2906 5.2907 5.2907 5.6890 5.6890 5.6890 5.6890 k = 0.3863 0.4483 0.2576 ( 4394 PWs) bands (ev): -17.5115 -17.5115 -17.5115 -17.5115 -14.2288 -14.2288 -14.2288 -14.2288 -7.4391 -7.4391 -7.4391 -7.4391 -6.6648 -6.6648 -6.6648 -6.6648 -6.0981 -6.0981 -6.0981 -6.0981 -3.4947 -3.4947 -3.4926 -3.4926 -3.0169 -3.0169 -3.0164 -3.0164 -2.9974 -2.9974 -2.9958 -2.9958 5.2786 5.2786 5.2787 5.2787 5.6751 5.6751 5.6751 5.6751 k = 0.3781 0.4388 0.2576 ( 4394 PWs) bands (ev): -17.5127 -17.5127 -17.5127 -17.5127 -14.2319 -14.2319 -14.2319 -14.2319 -7.4339 -7.4339 -7.4339 -7.4339 -6.6529 -6.6529 -6.6529 -6.6529 -6.1079 -6.1079 -6.1079 -6.1079 -3.4932 -3.4932 -3.4911 -3.4911 -3.0140 -3.0140 -3.0137 -3.0137 -2.9807 -2.9807 -2.9789 -2.9789 5.2665 5.2665 5.2666 5.2666 5.6605 5.6605 5.6605 5.6605 k = 0.3699 0.4292 0.2576 ( 4386 PWs) bands (ev): -17.5140 -17.5140 -17.5140 -17.5140 -14.2352 -14.2352 -14.2352 -14.2352 -7.4285 -7.4285 -7.4285 -7.4285 -6.6403 -6.6403 -6.6403 -6.6403 -6.1176 -6.1176 -6.1176 -6.1176 -3.4916 -3.4916 -3.4896 -3.4896 -3.0113 -3.0113 -3.0111 -3.0111 -2.9636 -2.9636 -2.9617 -2.9617 5.2543 5.2543 5.2544 5.2544 5.6452 5.6452 5.6452 5.6452 k = 0.3617 0.4197 0.2576 ( 4382 PWs) bands (ev): -17.5155 -17.5155 -17.5155 -17.5155 -14.2385 -14.2385 -14.2385 -14.2385 -7.4230 -7.4230 -7.4229 -7.4229 -6.6271 -6.6271 -6.6271 -6.6271 -6.1272 -6.1272 -6.1272 -6.1272 -3.4899 -3.4899 -3.4880 -3.4880 -3.0085 -3.0085 -3.0084 -3.0084 -2.9465 -2.9465 -2.9446 -2.9446 5.2422 5.2422 5.2423 5.2423 5.6293 5.6293 5.6293 5.6293 k = 0.3534 0.4102 0.2576 ( 4382 PWs) bands (ev): -17.5170 -17.5170 -17.5170 -17.5170 -14.2420 -14.2420 -14.2420 -14.2420 -7.4174 -7.4174 -7.4173 -7.4173 -6.6132 -6.6132 -6.6132 -6.6132 -6.1366 -6.1366 -6.1365 -6.1365 -3.4883 -3.4883 -3.4864 -3.4864 -3.0057 -3.0057 -3.0056 -3.0056 -2.9296 -2.9296 -2.9277 -2.9277 5.2302 5.2302 5.2304 5.2304 5.6128 5.6128 5.6128 5.6128 k = 0.3452 0.4006 0.2576 ( 4378 PWs) bands (ev): -17.5187 -17.5187 -17.5187 -17.5187 -14.2455 -14.2455 -14.2455 -14.2455 -7.4117 -7.4117 -7.4116 -7.4116 -6.5987 -6.5987 -6.5987 -6.5987 -6.1455 -6.1455 -6.1454 -6.1454 -3.4867 -3.4867 -3.4849 -3.4849 -3.0028 -3.0028 -3.0027 -3.0027 -2.9130 -2.9130 -2.9111 -2.9111 5.2185 5.2185 5.2186 5.2186 5.5957 5.5957 5.5957 5.5957 k = 0.3370 0.3911 0.2576 ( 4378 PWs) bands (ev): -17.5204 -17.5204 -17.5204 -17.5204 -14.2490 -14.2490 -14.2490 -14.2490 -7.4060 -7.4060 -7.4059 -7.4059 -6.5836 -6.5836 -6.5836 -6.5836 -6.1540 -6.1540 -6.1539 -6.1539 -3.4851 -3.4851 -3.4834 -3.4834 -2.9998 -2.9998 -2.9997 -2.9997 -2.8968 -2.8968 -2.8951 -2.8951 5.2071 5.2071 5.2072 5.2072 5.5782 5.5782 5.5782 5.5782 k = 0.3288 0.3815 0.2576 ( 4372 PWs) bands (ev): -17.5222 -17.5222 -17.5222 -17.5222 -14.2525 -14.2525 -14.2525 -14.2525 -7.4003 -7.4003 -7.4003 -7.4003 -6.5680 -6.5680 -6.5680 -6.5680 -6.1618 -6.1618 -6.1618 -6.1618 -3.4837 -3.4837 -3.4821 -3.4821 -2.9968 -2.9968 -2.9967 -2.9967 -2.8813 -2.8813 -2.8796 -2.8796 5.1961 5.1961 5.1962 5.1962 5.5603 5.5603 5.5603 5.5603 k = 0.3206 0.3720 0.2576 ( 4370 PWs) bands (ev): -17.5242 -17.5242 -17.5242 -17.5242 -14.2560 -14.2560 -14.2560 -14.2560 -7.3947 -7.3947 -7.3946 -7.3946 -6.5519 -6.5519 -6.5519 -6.5519 -6.1691 -6.1691 -6.1690 -6.1690 -3.4823 -3.4823 -3.4808 -3.4808 -2.9936 -2.9936 -2.9935 -2.9935 -2.8665 -2.8665 -2.8648 -2.8648 5.1855 5.1855 5.1856 5.1856 5.5420 5.5420 5.5420 5.5420 k = 0.3123 0.3625 0.2576 ( 4366 PWs) bands (ev): -17.5262 -17.5262 -17.5262 -17.5262 -14.2596 -14.2596 -14.2595 -14.2595 -7.3892 -7.3892 -7.3891 -7.3891 -6.5354 -6.5354 -6.5354 -6.5354 -6.1755 -6.1755 -6.1754 -6.1754 -3.4811 -3.4811 -3.4797 -3.4797 -2.9904 -2.9904 -2.9903 -2.9903 -2.8525 -2.8525 -2.8510 -2.8510 5.1754 5.1754 5.1756 5.1756 5.5234 5.5234 5.5234 5.5234 k = 0.3041 0.3529 0.2576 ( 4376 PWs) bands (ev): -17.5283 -17.5283 -17.5283 -17.5283 -14.2630 -14.2630 -14.2630 -14.2630 -7.3838 -7.3838 -7.3837 -7.3837 -6.5184 -6.5184 -6.5184 -6.5184 -6.1812 -6.1812 -6.1811 -6.1811 -3.4801 -3.4801 -3.4789 -3.4789 -2.9871 -2.9871 -2.9871 -2.9871 -2.8395 -2.8395 -2.8381 -2.8381 5.1659 5.1659 5.1661 5.1661 5.5044 5.5044 5.5044 5.5044 k = 0.2959 0.3434 0.2576 ( 4374 PWs) bands (ev): -17.5305 -17.5305 -17.5305 -17.5305 -14.2665 -14.2665 -14.2665 -14.2665 -7.3786 -7.3786 -7.3785 -7.3785 -6.5011 -6.5011 -6.5011 -6.5011 -6.1860 -6.1860 -6.1858 -6.1858 -3.4793 -3.4793 -3.4781 -3.4781 -2.9838 -2.9838 -2.9837 -2.9837 -2.8276 -2.8276 -2.8262 -2.8262 5.1571 5.1571 5.1572 5.1572 5.4853 5.4853 5.4853 5.4853 k = 0.2877 0.3339 0.2576 ( 4378 PWs) bands (ev): -17.5328 -17.5328 -17.5328 -17.5328 -14.2698 -14.2698 -14.2698 -14.2698 -7.3736 -7.3736 -7.3735 -7.3735 -6.4834 -6.4834 -6.4834 -6.4834 -6.1898 -6.1898 -6.1896 -6.1896 -3.4787 -3.4787 -3.4776 -3.4776 -2.9804 -2.9804 -2.9804 -2.9804 -2.8168 -2.8168 -2.8155 -2.8155 5.1488 5.1488 5.1490 5.1490 5.4659 5.4659 5.4659 5.4659 k = 0.2795 0.3243 0.2576 ( 4388 PWs) bands (ev): -17.5352 -17.5352 -17.5352 -17.5352 -14.2732 -14.2732 -14.2732 -14.2732 -7.3688 -7.3688 -7.3687 -7.3687 -6.4655 -6.4655 -6.4655 -6.4655 -6.1927 -6.1927 -6.1924 -6.1924 -3.4783 -3.4783 -3.4774 -3.4774 -2.9770 -2.9770 -2.9769 -2.9769 -2.8072 -2.8072 -2.8060 -2.8060 5.1412 5.1412 5.1414 5.1414 5.4464 5.4464 5.4464 5.4464 k = 0.2712 0.3148 0.2576 ( 4390 PWs) bands (ev): -17.5377 -17.5377 -17.5377 -17.5377 -14.2764 -14.2764 -14.2764 -14.2764 -7.3643 -7.3643 -7.3642 -7.3642 -6.4472 -6.4472 -6.4472 -6.4472 -6.1945 -6.1945 -6.1942 -6.1942 -3.4781 -3.4781 -3.4773 -3.4773 -2.9735 -2.9735 -2.9735 -2.9735 -2.7989 -2.7989 -2.7979 -2.7979 5.1344 5.1344 5.1346 5.1346 5.4267 5.4267 5.4267 5.4267 k = 0.2630 0.3052 0.2576 ( 4404 PWs) bands (ev): -17.5402 -17.5402 -17.5402 -17.5402 -14.2795 -14.2795 -14.2795 -14.2795 -7.3600 -7.3600 -7.3599 -7.3599 -6.4289 -6.4289 -6.4289 -6.4289 -6.1953 -6.1953 -6.1950 -6.1950 -3.4781 -3.4781 -3.4774 -3.4774 -2.9700 -2.9700 -2.9700 -2.9700 -2.7920 -2.7920 -2.7911 -2.7911 5.1283 5.1283 5.1285 5.1285 5.4070 5.4070 5.4070 5.4070 k = 0.2548 0.2957 0.2576 ( 4396 PWs) bands (ev): -17.5428 -17.5428 -17.5428 -17.5428 -14.2825 -14.2825 -14.2825 -14.2825 -7.3560 -7.3560 -7.3559 -7.3559 -6.4103 -6.4103 -6.4103 -6.4103 -6.1950 -6.1950 -6.1947 -6.1947 -3.4783 -3.4783 -3.4778 -3.4778 -2.9665 -2.9665 -2.9665 -2.9665 -2.7865 -2.7865 -2.7857 -2.7857 5.1229 5.1229 5.1231 5.1231 5.3872 5.3872 5.3872 5.3872 k = 0.2466 0.2862 0.2576 ( 4392 PWs) bands (ev): -17.5455 -17.5455 -17.5455 -17.5455 -14.2854 -14.2854 -14.2854 -14.2854 -7.3523 -7.3523 -7.3521 -7.3521 -6.3916 -6.3916 -6.3916 -6.3916 -6.1937 -6.1937 -6.1934 -6.1934 -3.4787 -3.4787 -3.4783 -3.4783 -2.9630 -2.9630 -2.9630 -2.9630 -2.7825 -2.7825 -2.7818 -2.7818 5.1183 5.1183 5.1185 5.1185 5.3674 5.3674 5.3674 5.3674 k = 0.2384 0.2766 0.2576 ( 4388 PWs) bands (ev): -17.5482 -17.5482 -17.5482 -17.5482 -14.2881 -14.2881 -14.2881 -14.2881 -7.3488 -7.3488 -7.3487 -7.3487 -6.3729 -6.3729 -6.3729 -6.3729 -6.1914 -6.1914 -6.1910 -6.1910 -3.4793 -3.4793 -3.4791 -3.4791 -2.9595 -2.9595 -2.9595 -2.9595 -2.7800 -2.7800 -2.7793 -2.7793 5.1145 5.1145 5.1147 5.1147 5.3477 5.3477 5.3477 5.3477 k = 0.2301 0.2671 0.2576 ( 4396 PWs) bands (ev): -17.5510 -17.5510 -17.5510 -17.5510 -14.2908 -14.2908 -14.2908 -14.2908 -7.3457 -7.3457 -7.3455 -7.3455 -6.3542 -6.3542 -6.3542 -6.3542 -6.1880 -6.1880 -6.1877 -6.1877 -3.4801 -3.4801 -3.4800 -3.4800 -2.9560 -2.9560 -2.9560 -2.9560 -2.7789 -2.7789 -2.7784 -2.7784 5.1115 5.1115 5.1117 5.1117 5.3280 5.3280 5.3280 5.3280 k = 0.2219 0.2575 0.2576 ( 4396 PWs) bands (ev): -17.5538 -17.5538 -17.5538 -17.5538 -14.2933 -14.2933 -14.2933 -14.2933 -7.3428 -7.3428 -7.3426 -7.3426 -6.3355 -6.3355 -6.3355 -6.3355 -6.1837 -6.1837 -6.1833 -6.1833 -3.4810 -3.4810 -3.4810 -3.4810 -2.9525 -2.9525 -2.9525 -2.9525 -2.7793 -2.7793 -2.7789 -2.7789 5.1092 5.1092 5.1095 5.1095 5.3084 5.3084 5.3084 5.3084 k = 0.2137 0.2480 0.2576 ( 4396 PWs) bands (ev): -17.5566 -17.5566 -17.5566 -17.5566 -14.2956 -14.2956 -14.2956 -14.2956 -7.3401 -7.3401 -7.3400 -7.3400 -6.3169 -6.3169 -6.3169 -6.3169 -6.1785 -6.1785 -6.1781 -6.1781 -3.4821 -3.4821 -3.4819 -3.4819 -2.9491 -2.9491 -2.9491 -2.9491 -2.7812 -2.7812 -2.7810 -2.7810 5.1078 5.1078 5.1081 5.1081 5.2890 5.2890 5.2890 5.2890 k = 0.2055 0.2385 0.2576 ( 4396 PWs) bands (ev): -17.5595 -17.5595 -17.5595 -17.5595 -14.2979 -14.2979 -14.2979 -14.2979 -7.3378 -7.3378 -7.3376 -7.3376 -6.2985 -6.2985 -6.2985 -6.2985 -6.1724 -6.1724 -6.1720 -6.1720 -3.4832 -3.4832 -3.4830 -3.4830 -2.9456 -2.9456 -2.9456 -2.9456 -2.7846 -2.7846 -2.7844 -2.7844 5.1072 5.1072 5.1074 5.1074 5.2697 5.2697 5.2697 5.2697 k = 0.1973 0.2289 0.2576 ( 4394 PWs) bands (ev): -17.5623 -17.5623 -17.5623 -17.5623 -14.3000 -14.3000 -14.3000 -14.3000 -7.3356 -7.3356 -7.3355 -7.3355 -6.2803 -6.2803 -6.2803 -6.2803 -6.1656 -6.1656 -6.1652 -6.1652 -3.4844 -3.4844 -3.4840 -3.4840 -2.9423 -2.9423 -2.9423 -2.9423 -2.7894 -2.7894 -2.7893 -2.7893 5.1073 5.1073 5.1076 5.1076 5.2507 5.2507 5.2507 5.2507 k = 0.1890 0.2194 0.2576 ( 4392 PWs) bands (ev): -17.5652 -17.5652 -17.5652 -17.5652 -14.3019 -14.3019 -14.3019 -14.3019 -7.3337 -7.3337 -7.3335 -7.3335 -6.2623 -6.2623 -6.2623 -6.2623 -6.1580 -6.1580 -6.1576 -6.1576 -3.4855 -3.4855 -3.4850 -3.4850 -2.9389 -2.9389 -2.9389 -2.9389 -2.7956 -2.7956 -2.7956 -2.7956 5.1083 5.1083 5.1086 5.1086 5.2320 5.2320 5.2320 5.2320 k = 0.1808 0.2099 0.2576 ( 4388 PWs) bands (ev): -17.5680 -17.5680 -17.5680 -17.5680 -14.3037 -14.3037 -14.3037 -14.3037 -7.3319 -7.3319 -7.3318 -7.3318 -6.2446 -6.2446 -6.2446 -6.2446 -6.1499 -6.1499 -6.1494 -6.1494 -3.4865 -3.4865 -3.4860 -3.4860 -2.9356 -2.9356 -2.9356 -2.9356 -2.8032 -2.8032 -2.8031 -2.8031 5.1100 5.1100 5.1103 5.1103 5.2136 5.2136 5.2136 5.2136 k = 0.1726 0.2003 0.2576 ( 4384 PWs) bands (ev): -17.5708 -17.5708 -17.5708 -17.5708 -14.3054 -14.3054 -14.3054 -14.3054 -7.3304 -7.3304 -7.3302 -7.3302 -6.2273 -6.2273 -6.2273 -6.2273 -6.1411 -6.1411 -6.1407 -6.1407 -3.4874 -3.4874 -3.4868 -3.4868 -2.9324 -2.9324 -2.9324 -2.9324 -2.8121 -2.8121 -2.8118 -2.8118 5.1125 5.1125 5.1128 5.1128 5.1955 5.1955 5.1956 5.1956 k = 0.1644 0.1908 0.2576 ( 4390 PWs) bands (ev): -17.5736 -17.5736 -17.5736 -17.5736 -14.3069 -14.3069 -14.3069 -14.3069 -7.3290 -7.3290 -7.3288 -7.3288 -6.2104 -6.2104 -6.2104 -6.2104 -6.1320 -6.1320 -6.1315 -6.1315 -3.4882 -3.4882 -3.4874 -3.4874 -2.9293 -2.9293 -2.9293 -2.9293 -2.8221 -2.8221 -2.8218 -2.8218 5.1157 5.1157 5.1160 5.1160 5.1779 5.1779 5.1779 5.1779 k = 0.1562 0.1812 0.2576 ( 4398 PWs) bands (ev): -17.5763 -17.5763 -17.5763 -17.5763 -14.3084 -14.3084 -14.3084 -14.3084 -7.3277 -7.3277 -7.3276 -7.3276 -6.1940 -6.1940 -6.1940 -6.1940 -6.1225 -6.1225 -6.1220 -6.1220 -3.4887 -3.4887 -3.4879 -3.4879 -2.9263 -2.9263 -2.9262 -2.9262 -2.8332 -2.8332 -2.8328 -2.8328 5.1196 5.1196 5.1199 5.1199 5.1608 5.1608 5.1608 5.1608 k = 0.1479 0.1717 0.2576 ( 4398 PWs) bands (ev): -17.5790 -17.5790 -17.5790 -17.5790 -14.3097 -14.3097 -14.3097 -14.3097 -7.3265 -7.3265 -7.3264 -7.3264 -6.1781 -6.1781 -6.1780 -6.1780 -6.1127 -6.1127 -6.1122 -6.1122 -3.4890 -3.4890 -3.4881 -3.4881 -2.9233 -2.9233 -2.9233 -2.9233 -2.8452 -2.8452 -2.8447 -2.8447 5.1239 5.1239 5.1242 5.1242 5.1444 5.1444 5.1445 5.1445 k = 0.1397 0.1622 0.2576 ( 4406 PWs) bands (ev): -17.5816 -17.5816 -17.5816 -17.5816 -14.3109 -14.3109 -14.3109 -14.3109 -7.3255 -7.3255 -7.3253 -7.3253 -6.1627 -6.1627 -6.1627 -6.1627 -6.1028 -6.1028 -6.1023 -6.1023 -3.4890 -3.4890 -3.4880 -3.4880 -2.9205 -2.9205 -2.9205 -2.9205 -2.8581 -2.8581 -2.8575 -2.8575 5.1249 5.1249 5.1251 5.1251 5.1326 5.1326 5.1327 5.1327 k = 0.1315 0.1526 0.2576 ( 4406 PWs) bands (ev): -17.5841 -17.5841 -17.5841 -17.5841 -14.3120 -14.3120 -14.3120 -14.3120 -7.3245 -7.3245 -7.3244 -7.3244 -6.1479 -6.1479 -6.1479 -6.1479 -6.0929 -6.0929 -6.0924 -6.0924 -3.4886 -3.4886 -3.4875 -3.4875 -2.9179 -2.9179 -2.9178 -2.9178 -2.8716 -2.8716 -2.8710 -2.8710 5.1115 5.1115 5.1115 5.1115 5.1363 5.1363 5.1365 5.1365 k = 0.1233 0.1431 0.2576 ( 4410 PWs) bands (ev): -17.5866 -17.5866 -17.5866 -17.5866 -14.3129 -14.3129 -14.3129 -14.3129 -7.3236 -7.3236 -7.3235 -7.3235 -6.1338 -6.1338 -6.1338 -6.1338 -6.0829 -6.0829 -6.0825 -6.0825 -3.4879 -3.4879 -3.4867 -3.4867 -2.9155 -2.9155 -2.9153 -2.9153 -2.8856 -2.8856 -2.8850 -2.8850 5.0968 5.0968 5.0968 5.0968 5.1425 5.1425 5.1427 5.1427 k = 0.1151 0.1335 0.2576 ( 4408 PWs) bands (ev): -17.5889 -17.5889 -17.5889 -17.5889 -14.3138 -14.3138 -14.3138 -14.3138 -7.3228 -7.3228 -7.3226 -7.3226 -6.1203 -6.1203 -6.1203 -6.1203 -6.0732 -6.0732 -6.0727 -6.0727 -3.4867 -3.4867 -3.4856 -3.4856 -2.9138 -2.9138 -2.9135 -2.9135 -2.8994 -2.8994 -2.8990 -2.8990 5.0826 5.0826 5.0827 5.0827 5.1492 5.1492 5.1495 5.1495 k = 0.1069 0.1240 0.2576 ( 4420 PWs) bands (ev): -17.5911 -17.5911 -17.5911 -17.5911 -14.3146 -14.3146 -14.3146 -14.3146 -7.3220 -7.3220 -7.3218 -7.3218 -6.1076 -6.1076 -6.1076 -6.1076 -6.0636 -6.0636 -6.0632 -6.0632 -3.4852 -3.4852 -3.4840 -3.4840 -2.9184 -2.9184 -2.9174 -2.9174 -2.9076 -2.9076 -2.9074 -2.9074 5.0692 5.0692 5.0692 5.0692 5.1564 5.1564 5.1566 5.1566 k = 0.0986 0.1145 0.2576 ( 4408 PWs) bands (ev): -17.5932 -17.5932 -17.5932 -17.5932 -14.3152 -14.3152 -14.3152 -14.3152 -7.3212 -7.3212 -7.3211 -7.3211 -6.0957 -6.0957 -6.0956 -6.0956 -6.0544 -6.0544 -6.0540 -6.0540 -3.4833 -3.4833 -3.4821 -3.4821 -2.9320 -2.9320 -2.9310 -2.9310 -2.9068 -2.9068 -2.9067 -2.9067 5.0565 5.0565 5.0565 5.0565 5.1639 5.1639 5.1641 5.1641 k = 0.0904 0.1049 0.2576 ( 4400 PWs) bands (ev): -17.5952 -17.5952 -17.5952 -17.5952 -14.3158 -14.3158 -14.3158 -14.3158 -7.3205 -7.3205 -7.3204 -7.3204 -6.0845 -6.0845 -6.0845 -6.0845 -6.0456 -6.0456 -6.0452 -6.0452 -3.4811 -3.4811 -3.4799 -3.4799 -2.9467 -2.9467 -2.9458 -2.9458 -2.9050 -2.9050 -2.9049 -2.9049 5.0446 5.0446 5.0446 5.0446 5.1715 5.1715 5.1718 5.1718 k = 0.0822 0.0954 0.2576 ( 4396 PWs) bands (ev): -17.5970 -17.5970 -17.5970 -17.5970 -14.3163 -14.3163 -14.3163 -14.3163 -7.3199 -7.3199 -7.3198 -7.3198 -6.0742 -6.0742 -6.0742 -6.0742 -6.0372 -6.0372 -6.0369 -6.0369 -3.4785 -3.4785 -3.4773 -3.4773 -2.9614 -2.9614 -2.9605 -2.9605 -2.9032 -2.9032 -2.9031 -2.9031 5.0336 5.0336 5.0336 5.0336 5.1793 5.1793 5.1795 5.1795 k = 0.0740 0.0858 0.2576 ( 4392 PWs) bands (ev): -17.5987 -17.5987 -17.5987 -17.5987 -14.3168 -14.3168 -14.3168 -14.3168 -7.3193 -7.3193 -7.3192 -7.3192 -6.0648 -6.0648 -6.0648 -6.0648 -6.0295 -6.0295 -6.0291 -6.0291 -3.4756 -3.4756 -3.4745 -3.4745 -2.9757 -2.9757 -2.9748 -2.9748 -2.9015 -2.9015 -2.9014 -2.9014 5.0235 5.0235 5.0235 5.0235 5.1869 5.1869 5.1871 5.1871 k = 0.0658 0.0763 0.2576 ( 4392 PWs) bands (ev): -17.6003 -17.6003 -17.6003 -17.6003 -14.3172 -14.3172 -14.3172 -14.3172 -7.3187 -7.3187 -7.3186 -7.3186 -6.0563 -6.0563 -6.0562 -6.0562 -6.0223 -6.0223 -6.0220 -6.0220 -3.4726 -3.4726 -3.4715 -3.4715 -2.9894 -2.9894 -2.9885 -2.9885 -2.8999 -2.8999 -2.8998 -2.8998 5.0144 5.0144 5.0144 5.0144 5.1943 5.1943 5.1945 5.1945 k = 0.0575 0.0668 0.2576 ( 4388 PWs) bands (ev): -17.6016 -17.6016 -17.6016 -17.6016 -14.3175 -14.3175 -14.3175 -14.3175 -7.3182 -7.3182 -7.3182 -7.3182 -6.0487 -6.0487 -6.0487 -6.0487 -6.0159 -6.0159 -6.0156 -6.0156 -3.4694 -3.4694 -3.4684 -3.4684 -3.0022 -3.0022 -3.0014 -3.0014 -2.8984 -2.8984 -2.8984 -2.8984 5.0062 5.0062 5.0062 5.0062 5.2014 5.2014 5.2016 5.2016 k = 0.0493 0.0572 0.2576 ( 4388 PWs) bands (ev): -17.6028 -17.6028 -17.6028 -17.6028 -14.3178 -14.3178 -14.3178 -14.3178 -7.3178 -7.3178 -7.3177 -7.3177 -6.0421 -6.0421 -6.0420 -6.0420 -6.0101 -6.0101 -6.0099 -6.0099 -3.4663 -3.4663 -3.4654 -3.4654 -3.0140 -3.0140 -3.0132 -3.0132 -2.8972 -2.8972 -2.8972 -2.8972 4.9991 4.9991 4.9991 4.9991 5.2080 5.2080 5.2081 5.2081 k = 0.0411 0.0477 0.2576 ( 4400 PWs) bands (ev): -17.6038 -17.6038 -17.6038 -17.6038 -14.3180 -14.3180 -14.3180 -14.3180 -7.3174 -7.3174 -7.3174 -7.3174 -6.0364 -6.0364 -6.0364 -6.0364 -6.0052 -6.0052 -6.0050 -6.0050 -3.4633 -3.4633 -3.4625 -3.4625 -3.0244 -3.0244 -3.0237 -3.0237 -2.8961 -2.8961 -2.8961 -2.8961 4.9930 4.9930 4.9930 4.9930 5.2138 5.2138 5.2140 5.2140 k = 0.0329 0.0382 0.2576 ( 4404 PWs) bands (ev): -17.6047 -17.6047 -17.6047 -17.6047 -14.3182 -14.3182 -14.3182 -14.3182 -7.3171 -7.3171 -7.3171 -7.3171 -6.0318 -6.0318 -6.0318 -6.0318 -6.0012 -6.0012 -6.0010 -6.0010 -3.4606 -3.4606 -3.4599 -3.4599 -3.0333 -3.0333 -3.0327 -3.0327 -2.8952 -2.8952 -2.8952 -2.8952 4.9879 4.9879 4.9879 4.9879 5.2189 5.2189 5.2190 5.2190 k = 0.0247 0.0286 0.2576 ( 4412 PWs) bands (ev): -17.6054 -17.6054 -17.6054 -17.6054 -14.3184 -14.3184 -14.3184 -14.3184 -7.3169 -7.3169 -7.3168 -7.3168 -6.0282 -6.0282 -6.0282 -6.0282 -5.9980 -5.9980 -5.9978 -5.9978 -3.4583 -3.4583 -3.4577 -3.4577 -3.0405 -3.0405 -3.0400 -3.0400 -2.8945 -2.8945 -2.8945 -2.8945 4.9840 4.9840 4.9840 4.9840 5.2230 5.2230 5.2231 5.2231 k = 0.0164 0.0191 0.2576 ( 4416 PWs) bands (ev): -17.6058 -17.6058 -17.6058 -17.6058 -14.3185 -14.3185 -14.3185 -14.3185 -7.3167 -7.3167 -7.3167 -7.3167 -6.0256 -6.0256 -6.0256 -6.0256 -5.9956 -5.9956 -5.9956 -5.9956 -3.4565 -3.4565 -3.4561 -3.4561 -3.0457 -3.0457 -3.0454 -3.0454 -2.8941 -2.8941 -2.8940 -2.8940 4.9812 4.9812 4.9812 4.9812 5.2260 5.2260 5.2261 5.2261 k = 0.0082 0.0095 0.2576 ( 4400 PWs) bands (ev): -17.6061 -17.6061 -17.6061 -17.6061 -14.3185 -14.3185 -14.3185 -14.3185 -7.3166 -7.3166 -7.3165 -7.3165 -6.0240 -6.0240 -6.0240 -6.0240 -5.9942 -5.9942 -5.9942 -5.9942 -3.4553 -3.4553 -3.4551 -3.4551 -3.0488 -3.0488 -3.0487 -3.0487 -2.8937 -2.8937 -2.8937 -2.8937 4.9795 4.9795 4.9795 4.9795 5.2279 5.2279 5.2280 5.2280 k = 0.0000 0.0000 0.2576 ( 4404 PWs) bands (ev): -17.6062 -17.6062 -17.6062 -17.6062 -14.3185 -14.3185 -14.3185 -14.3185 -7.3165 -7.3165 -7.3165 -7.3165 -6.0235 -6.0235 -6.0235 -6.0235 -5.9937 -5.9937 -5.9937 -5.9937 -3.4549 -3.4549 -3.4549 -3.4549 -3.0499 -3.0499 -3.0499 -3.0499 -2.8936 -2.8936 -2.8936 -2.8936 4.9789 4.9789 4.9789 4.9789 5.2286 5.2286 5.2286 5.2286 k = 0.0000 0.0000 0.2576 ( 4404 PWs) bands (ev): -17.6062 -17.6062 -17.6062 -17.6062 -14.3185 -14.3185 -14.3185 -14.3185 -7.3165 -7.3165 -7.3165 -7.3165 -6.0235 -6.0235 -6.0235 -6.0235 -5.9937 -5.9937 -5.9937 -5.9937 -3.4549 -3.4549 -3.4549 -3.4549 -3.0499 -3.0499 -3.0499 -3.0499 -2.8936 -2.8936 -2.8936 -2.8936 4.9789 4.9789 4.9789 4.9789 5.2286 5.2286 5.2286 5.2286 k = 0.0000 0.0000 0.2453 ( 4410 PWs) bands (ev): -17.6093 -17.6093 -17.6031 -17.6031 -14.3202 -14.3202 -14.3168 -14.3168 -7.3175 -7.3175 -7.3154 -7.3154 -6.0251 -6.0251 -6.0220 -6.0220 -6.0105 -6.0105 -5.9771 -5.9771 -3.4591 -3.4591 -3.4505 -3.4505 -3.0534 -3.0534 -3.0463 -3.0463 -2.9029 -2.9029 -2.8843 -2.8843 4.9512 4.9512 5.0068 5.0068 5.1935 5.1935 5.2650 5.2650 k = 0.0000 0.0000 0.2331 ( 4408 PWs) bands (ev): -17.6124 -17.6124 -17.5999 -17.5999 -14.3219 -14.3219 -14.3152 -14.3152 -7.3183 -7.3183 -7.3140 -7.3140 -6.0290 -6.0290 -6.0256 -6.0256 -6.0201 -6.0201 -5.9608 -5.9608 -3.4633 -3.4633 -3.4460 -3.4460 -3.0568 -3.0568 -3.0427 -3.0427 -2.9122 -2.9122 -2.8750 -2.8750 4.9239 4.9239 5.0347 5.0347 5.1600 5.1600 5.3027 5.3027 k = 0.0000 0.0000 0.2208 ( 4404 PWs) bands (ev): -17.6155 -17.6155 -17.5968 -17.5968 -14.3236 -14.3236 -14.3136 -14.3136 -7.3189 -7.3189 -7.3124 -7.3124 -6.0453 -6.0453 -6.0278 -6.0278 -6.0188 -6.0188 -5.9449 -5.9449 -3.4673 -3.4673 -3.4413 -3.4413 -3.0601 -3.0601 -3.0391 -3.0391 -2.9212 -2.9212 -2.8658 -2.8658 4.8970 4.8970 5.0625 5.0625 5.1284 5.1284 5.3413 5.3413 k = 0.0000 0.0000 0.2085 ( 4402 PWs) bands (ev): -17.6185 -17.6185 -17.5938 -17.5938 -14.3252 -14.3252 -14.3120 -14.3120 -7.3193 -7.3193 -7.3106 -7.3106 -6.0623 -6.0623 -6.0293 -6.0293 -6.0173 -6.0173 -5.9296 -5.9296 -3.4712 -3.4712 -3.4366 -3.4366 -3.0632 -3.0632 -3.0356 -3.0356 -2.9301 -2.9301 -2.8567 -2.8567 4.8707 4.8707 5.0895 5.0895 5.0992 5.0992 5.3805 5.3805 k = 0.0000 0.0000 0.1963 ( 4398 PWs) bands (ev): -17.6214 -17.6214 -17.5908 -17.5908 -14.3268 -14.3268 -14.3104 -14.3104 -7.3195 -7.3195 -7.3087 -7.3087 -6.0793 -6.0793 -6.0307 -6.0307 -6.0159 -6.0159 -5.9148 -5.9148 -3.4750 -3.4750 -3.4318 -3.4318 -3.0661 -3.0661 -3.0322 -3.0322 -2.9388 -2.9388 -2.8477 -2.8477 4.8451 4.8451 5.0711 5.0711 5.1173 5.1173 5.4200 5.4200 k = 0.0000 0.0000 0.1840 ( 4396 PWs) bands (ev): -17.6243 -17.6243 -17.5879 -17.5879 -14.3284 -14.3284 -14.3090 -14.3090 -7.3196 -7.3196 -7.3066 -7.3066 -6.0960 -6.0960 -6.0321 -6.0321 -6.0145 -6.0145 -5.9006 -5.9006 -3.4786 -3.4786 -3.4270 -3.4270 -3.0689 -3.0689 -3.0289 -3.0289 -2.9472 -2.9472 -2.8390 -2.8390 4.8205 4.8205 5.0461 5.0461 5.1438 5.1438 5.4596 5.4596 k = 0.0000 0.0000 0.1717 ( 4398 PWs) bands (ev): -17.6270 -17.6270 -17.5851 -17.5851 -14.3299 -14.3299 -14.3075 -14.3075 -7.3195 -7.3195 -7.3044 -7.3044 -6.1124 -6.1124 -6.0334 -6.0334 -6.0131 -6.0131 -5.8872 -5.8872 -3.4821 -3.4821 -3.4220 -3.4220 -3.0714 -3.0714 -3.0258 -3.0258 -2.9552 -2.9552 -2.8306 -2.8306 4.7968 4.7968 5.0236 5.0236 5.1695 5.1695 5.4989 5.4989 k = 0.0000 0.0000 0.1595 ( 4402 PWs) bands (ev): -17.6296 -17.6296 -17.5824 -17.5824 -14.3314 -14.3314 -14.3062 -14.3062 -7.3193 -7.3193 -7.3021 -7.3021 -6.1284 -6.1284 -6.0347 -6.0347 -6.0118 -6.0118 -5.8746 -5.8746 -3.4855 -3.4855 -3.4171 -3.4171 -3.0738 -3.0738 -3.0229 -3.0229 -2.9629 -2.9629 -2.8225 -2.8225 4.7742 4.7742 5.0036 5.0036 5.1944 5.1944 5.5375 5.5375 k = 0.0000 0.0000 0.1472 ( 4408 PWs) bands (ev): -17.6321 -17.6321 -17.5798 -17.5798 -14.3329 -14.3329 -14.3049 -14.3049 -7.3190 -7.3190 -7.2998 -7.2998 -6.1437 -6.1437 -6.0359 -6.0359 -6.0105 -6.0105 -5.8627 -5.8627 -3.4887 -3.4887 -3.4122 -3.4122 -3.0759 -3.0759 -3.0202 -3.0202 -2.9702 -2.9702 -2.8148 -2.8148 4.7528 4.7528 4.9863 4.9863 5.2182 5.2182 5.5104 5.5104 k = 0.0000 0.0000 0.1349 ( 4400 PWs) bands (ev): -17.6344 -17.6344 -17.5774 -17.5774 -14.3342 -14.3342 -14.3037 -14.3037 -7.3187 -7.3187 -7.2974 -7.2974 -6.1583 -6.1583 -6.0370 -6.0370 -6.0093 -6.0093 -5.8517 -5.8517 -3.4917 -3.4917 -3.4074 -3.4074 -3.0777 -3.0777 -3.0178 -3.0178 -2.9770 -2.9770 -2.8075 -2.8075 4.7327 4.7327 4.9719 4.9719 5.2408 5.2408 5.4588 5.4588 k = 0.0000 0.0000 0.1227 ( 4396 PWs) bands (ev): -17.6366 -17.6366 -17.5751 -17.5751 -14.3354 -14.3354 -14.3025 -14.3025 -7.3183 -7.3183 -7.2950 -7.2950 -6.1721 -6.1721 -6.0381 -6.0381 -6.0082 -6.0082 -5.8415 -5.8415 -3.4946 -3.4946 -3.4027 -3.4027 -3.0794 -3.0794 -3.0156 -3.0156 -2.9833 -2.9833 -2.8007 -2.8007 4.7140 4.7140 4.9603 4.9603 5.2620 5.2620 5.4093 5.4093 k = 0.0000 0.0000 0.1104 ( 4392 PWs) bands (ev): -17.6386 -17.6386 -17.5730 -17.5730 -14.3366 -14.3366 -14.3015 -14.3015 -7.3178 -7.3178 -7.2926 -7.2926 -6.1850 -6.1850 -6.0390 -6.0390 -6.0072 -6.0072 -5.8323 -5.8323 -3.4973 -3.4973 -3.3983 -3.3983 -3.0808 -3.0808 -3.0137 -3.0137 -2.9891 -2.9891 -2.7944 -2.7944 4.6969 4.6969 4.9517 4.9517 5.2817 5.2817 5.3621 5.3621 k = 0.0000 0.0000 0.0981 ( 4388 PWs) bands (ev): -17.6404 -17.6404 -17.5711 -17.5711 -14.3376 -14.3376 -14.3006 -14.3006 -7.3173 -7.3173 -7.2904 -7.2904 -6.1969 -6.1969 -6.0399 -6.0399 -6.0063 -6.0063 -5.8240 -5.8240 -3.4997 -3.4997 -3.3940 -3.3940 -3.0821 -3.0821 -3.0121 -3.0121 -2.9943 -2.9943 -2.7887 -2.7887 4.6813 4.6813 4.9459 4.9459 5.2996 5.2996 5.3174 5.3174 k = 0.0000 0.0000 0.0859 ( 4392 PWs) bands (ev): -17.6421 -17.6421 -17.5694 -17.5694 -14.3386 -14.3386 -14.2998 -14.2998 -7.3169 -7.3169 -7.2883 -7.2883 -6.2076 -6.2076 -6.0407 -6.0407 -6.0055 -6.0055 -5.8167 -5.8167 -3.5019 -3.5019 -3.3901 -3.3901 -3.0831 -3.0831 -3.0109 -3.0109 -2.9988 -2.9988 -2.7835 -2.7835 4.6674 4.6674 4.9431 4.9431 5.2749 5.2749 5.3162 5.3162 k = 0.0000 0.0000 0.0736 ( 4396 PWs) bands (ev): -17.6435 -17.6435 -17.5679 -17.5679 -14.3394 -14.3394 -14.2991 -14.2991 -7.3165 -7.3165 -7.2863 -7.2863 -6.2171 -6.2171 -6.0414 -6.0414 -6.0048 -6.0048 -5.8103 -5.8103 -3.5039 -3.5039 -3.3865 -3.3865 -3.0840 -3.0840 -3.0104 -3.0104 -3.0023 -3.0023 -2.7790 -2.7790 4.6552 4.6552 4.9431 4.9431 5.2356 5.2356 5.3305 5.3305 k = 0.0000 0.0000 0.0613 ( 4395 PWs) bands (ev): -17.6447 -17.6447 -17.5666 -17.5666 -14.3402 -14.3402 -14.2984 -14.2984 -7.3160 -7.3160 -7.2846 -7.2846 -6.2253 -6.2253 -6.0419 -6.0419 -6.0041 -6.0041 -5.8048 -5.8048 -3.5056 -3.5056 -3.3834 -3.3834 -3.0848 -3.0848 -3.0109 -3.0109 -3.0043 -3.0043 -2.7751 -2.7751 4.6447 4.6447 4.9457 4.9457 5.1995 5.1995 5.3429 5.3429 k = 0.0000 0.0000 0.0491 ( 4401 PWs) bands (ev): -17.6457 -17.6457 -17.5656 -17.5656 -14.3408 -14.3408 -14.2979 -14.2979 -7.3157 -7.3157 -7.2831 -7.2831 -6.2322 -6.2322 -6.0424 -6.0424 -6.0036 -6.0036 -5.8004 -5.8004 -3.5070 -3.5070 -3.3807 -3.3807 -3.0853 -3.0853 -3.0124 -3.0124 -3.0049 -3.0049 -2.7719 -2.7719 4.6361 4.6361 4.9507 4.9507 5.1669 5.1669 5.3531 5.3531 k = 0.0000 0.0000 0.0368 ( 4395 PWs) bands (ev): -17.6465 -17.6465 -17.5647 -17.5647 -14.3412 -14.3412 -14.2975 -14.2975 -7.3154 -7.3154 -7.2820 -7.2820 -6.2375 -6.2375 -6.0428 -6.0428 -6.0032 -6.0032 -5.7969 -5.7969 -3.5081 -3.5081 -3.3786 -3.3786 -3.0857 -3.0857 -3.0141 -3.0141 -3.0048 -3.0048 -2.7693 -2.7693 4.6294 4.6294 4.9574 4.9574 5.1387 5.1387 5.3612 5.3612 k = 0.0000 0.0000 0.0245 ( 4387 PWs) bands (ev): -17.6471 -17.6471 -17.5641 -17.5641 -14.3416 -14.3416 -14.2972 -14.2972 -7.3152 -7.3152 -7.2811 -7.2811 -6.2414 -6.2414 -6.0430 -6.0430 -6.0029 -6.0029 -5.7945 -5.7945 -3.5089 -3.5089 -3.3770 -3.3770 -3.0860 -3.0860 -3.0155 -3.0155 -3.0047 -3.0047 -2.7675 -2.7675 4.6246 4.6246 4.9648 4.9648 5.1159 5.1159 5.3670 5.3670 k = 0.0000 0.0000 0.0123 ( 4379 PWs) bands (ev): -17.6474 -17.6474 -17.5638 -17.5638 -14.3418 -14.3418 -14.2971 -14.2971 -7.3150 -7.3150 -7.2806 -7.2806 -6.2437 -6.2437 -6.0432 -6.0432 -6.0026 -6.0026 -5.7930 -5.7930 -3.5093 -3.5093 -3.3761 -3.3761 -3.0862 -3.0862 -3.0164 -3.0164 -3.0045 -3.0045 -2.7664 -2.7664 4.6217 4.6217 4.9709 4.9709 5.1004 5.1004 5.3705 5.3705 k = 0.0000 0.0000 0.0000 ( 4385 PWs) bands (ev): -17.6475 -17.6475 -17.5636 -17.5636 -14.3418 -14.3418 -14.2970 -14.2970 -7.3150 -7.3150 -7.2804 -7.2804 -6.2445 -6.2445 -6.0433 -6.0433 -6.0026 -6.0026 -5.7925 -5.7925 -3.5095 -3.5095 -3.3758 -3.3758 -3.0863 -3.0863 -3.0167 -3.0167 -3.0045 -3.0045 -2.7661 -2.7661 4.6207 4.6207 4.9734 4.9734 5.0948 5.0948 5.3716 5.3716 k = 0.0000 0.0000 0.0000 ( 4385 PWs) bands (ev): -17.6475 -17.6475 -17.5636 -17.5636 -14.3418 -14.3418 -14.2970 -14.2970 -7.3150 -7.3150 -7.2804 -7.2804 -6.2445 -6.2445 -6.0433 -6.0433 -6.0026 -6.0026 -5.7925 -5.7925 -3.5095 -3.5095 -3.3758 -3.3758 -3.0863 -3.0863 -3.0167 -3.0167 -3.0045 -3.0045 -2.7661 -2.7661 4.6207 4.6207 4.9734 4.9734 5.0948 5.0948 5.3716 5.3716 k =-0.0096 0.0083 0.0000 ( 4387 PWs) bands (ev): -17.6474 -17.6474 -17.5636 -17.5636 -14.3417 -14.3417 -14.2970 -14.2970 -7.3152 -7.3152 -7.2806 -7.2806 -6.2446 -6.2446 -6.0439 -6.0439 -6.0035 -6.0034 -5.7926 -5.7925 -3.5096 -3.5095 -3.3757 -3.3757 -3.0864 -3.0863 -3.0168 -3.0165 -3.0046 -3.0043 -2.7661 -2.7661 4.6219 4.6220 4.9735 4.9736 5.0945 5.0947 5.3742 5.3743 k =-0.0192 0.0166 0.0000 ( 4389 PWs) bands (ev): -17.6471 -17.6471 -17.5634 -17.5634 -14.3413 -14.3413 -14.2969 -14.2969 -7.3156 -7.3156 -7.2812 -7.2812 -6.2448 -6.2448 -6.0459 -6.0459 -6.0060 -6.0058 -5.7928 -5.7926 -3.5099 -3.5096 -3.3755 -3.3755 -3.0867 -3.0865 -3.0168 -3.0162 -3.0047 -3.0040 -2.7663 -2.7663 4.6256 4.6257 4.9739 4.9740 5.0939 5.0941 5.3819 5.3822 k =-0.0288 0.0249-0.0000 ( 4381 PWs) bands (ev): -17.6465 -17.6465 -17.5630 -17.5630 -14.3405 -14.3405 -14.2967 -14.2967 -7.3164 -7.3164 -7.2822 -7.2822 -6.2451 -6.2451 -6.0491 -6.0491 -6.0101 -6.0099 -5.7932 -5.7929 -3.5102 -3.5099 -3.3752 -3.3752 -3.0871 -3.0868 -3.0168 -3.0157 -3.0049 -3.0037 -2.7666 -2.7666 4.6318 4.6319 4.9745 4.9746 5.0931 5.0934 5.3946 5.3949 k =-0.0385 0.0331 0.0000 ( 4391 PWs) bands (ev): -17.6456 -17.6456 -17.5625 -17.5625 -14.3395 -14.3395 -14.2964 -14.2964 -7.3175 -7.3175 -7.2837 -7.2837 -6.2455 -6.2455 -6.0536 -6.0535 -6.0158 -6.0156 -5.7937 -5.7934 -3.5107 -3.5103 -3.3748 -3.3748 -3.0877 -3.0872 -3.0166 -3.0151 -3.0049 -3.0033 -2.7672 -2.7671 4.6404 4.6406 4.9753 4.9754 5.0924 5.0928 5.4119 5.4123 k =-0.0481 0.0414-0.0000 ( 4395 PWs) bands (ev): -17.6446 -17.6446 -17.5619 -17.5619 -14.3382 -14.3382 -14.2961 -14.2961 -7.3189 -7.3188 -7.2855 -7.2855 -6.2461 -6.2460 -6.0594 -6.0592 -6.0231 -6.0228 -5.7944 -5.7939 -3.5114 -3.5108 -3.3743 -3.3742 -3.0885 -3.0879 -3.0165 -3.0144 -3.0050 -3.0028 -2.7679 -2.7678 4.6515 4.6517 4.9762 4.9764 5.0921 5.0926 5.4334 5.4339 k =-0.0577 0.0497 0.0000 ( 4385 PWs) bands (ev): -17.6433 -17.6432 -17.5611 -17.5611 -14.3366 -14.3366 -14.2956 -14.2956 -7.3205 -7.3205 -7.2878 -7.2877 -6.2467 -6.2466 -6.0662 -6.0661 -6.0318 -6.0315 -5.7952 -5.7947 -3.5122 -3.5115 -3.3737 -3.3737 -3.0894 -3.0887 -3.0162 -3.0135 -3.0050 -3.0021 -2.7688 -2.7687 4.6650 4.6652 4.9774 4.9775 5.0926 5.0930 5.4590 5.4595 k =-0.0673 0.0580-0.0000 ( 4381 PWs) bands (ev): -17.6417 -17.6417 -17.5602 -17.5602 -14.3347 -14.3347 -14.2951 -14.2951 -7.3225 -7.3224 -7.2904 -7.2904 -6.2474 -6.2473 -6.0743 -6.0741 -6.0421 -6.0418 -5.7961 -5.7956 -3.5131 -3.5123 -3.3731 -3.3730 -3.0905 -3.0897 -3.0159 -3.0124 -3.0049 -3.0013 -2.7699 -2.7698 4.6808 4.6810 4.9786 4.9786 5.0941 5.0944 5.4881 5.4887 k =-0.0769 0.0663 0.0000 ( 4377 PWs) bands (ev): -17.6400 -17.6400 -17.5592 -17.5592 -14.3326 -14.3326 -14.2946 -14.2946 -7.3247 -7.3246 -7.2934 -7.2934 -6.2481 -6.2480 -6.0833 -6.0831 -6.0538 -6.0535 -5.7973 -5.7967 -3.5143 -3.5134 -3.3725 -3.3724 -3.0918 -3.0909 -3.0155 -3.0112 -3.0047 -3.0002 -2.7714 -2.7713 4.6990 4.6992 4.9798 4.9798 5.0966 5.0969 5.5206 5.5212 k =-0.0865 0.0746-0.0000 ( 4375 PWs) bands (ev): -17.6380 -17.6380 -17.5580 -17.5580 -14.3301 -14.3301 -14.2939 -14.2939 -7.3272 -7.3271 -7.2968 -7.2968 -6.2489 -6.2487 -6.0934 -6.0931 -6.0669 -6.0666 -5.7986 -5.7979 -3.5156 -3.5146 -3.3720 -3.3718 -3.0933 -3.0923 -3.0151 -3.0100 -3.0042 -2.9988 -2.7732 -2.7730 4.7194 4.7196 4.9810 4.9811 5.1004 5.1006 5.5563 5.5569 k =-0.0962 0.0829 0.0000 ( 4379 PWs) bands (ev): -17.6359 -17.6359 -17.5568 -17.5568 -14.3275 -14.3275 -14.2932 -14.2932 -7.3299 -7.3299 -7.3006 -7.3005 -6.2497 -6.2495 -6.1044 -6.1041 -6.0813 -6.0810 -5.8000 -5.7994 -3.5171 -3.5160 -3.3715 -3.3714 -3.0950 -3.0939 -3.0147 -3.0088 -3.0033 -2.9972 -2.7753 -2.7752 4.7420 4.7423 4.9822 4.9823 5.1054 5.1055 5.5948 5.5954 k =-0.1058 0.0911 0.0000 ( 4375 PWs) bands (ev): -17.6335 -17.6335 -17.5554 -17.5554 -14.3246 -14.3246 -14.2924 -14.2924 -7.3329 -7.3328 -7.3047 -7.3047 -6.2504 -6.2502 -6.1163 -6.1159 -6.0970 -6.0966 -5.8017 -5.8010 -3.5188 -3.5176 -3.3713 -3.3711 -3.0970 -3.0958 -3.0142 -3.0077 -3.0019 -2.9953 -2.7780 -2.7778 4.7667 4.7670 4.9832 4.9834 5.1117 5.1117 5.6362 5.6368 k =-0.1154 0.0994 0.0000 ( 4363 PWs) bands (ev): -17.6310 -17.6310 -17.5539 -17.5539 -14.3214 -14.3214 -14.2914 -14.2914 -7.3361 -7.3360 -7.3092 -7.3091 -6.2512 -6.2509 -6.1289 -6.1285 -6.1138 -6.1135 -5.8035 -5.8028 -3.5207 -3.5194 -3.3712 -3.3709 -3.0993 -3.0980 -3.0135 -3.0068 -2.9997 -2.9929 -2.7811 -2.7808 4.7935 4.7939 4.9841 4.9844 5.1191 5.1192 5.6802 5.6807 k =-0.1250 0.1077 0.0000 ( 4375 PWs) bands (ev): -17.6283 -17.6283 -17.5523 -17.5523 -14.3181 -14.3181 -14.2905 -14.2905 -7.3395 -7.3394 -7.3140 -7.3140 -6.2519 -6.2515 -6.1423 -6.1418 -6.1318 -6.1315 -5.8055 -5.8047 -3.5228 -3.5214 -3.3714 -3.3711 -3.1018 -3.1005 -3.0127 -3.0060 -2.9971 -2.9903 -2.7847 -2.7845 4.8223 4.8227 4.9848 4.9851 5.1276 5.1279 5.7266 5.7271 k =-0.1346 0.1160-0.0000 ( 4371 PWs) bands (ev): -17.6254 -17.6254 -17.5506 -17.5506 -14.3145 -14.3145 -14.2894 -14.2894 -7.3431 -7.3430 -7.3191 -7.3191 -6.2525 -6.2520 -6.1562 -6.1556 -6.1509 -6.1505 -5.8076 -5.8068 -3.5251 -3.5236 -3.3719 -3.3715 -3.1047 -3.1033 -3.0117 -3.0051 -2.9939 -2.9872 -2.7889 -2.7886 4.8530 4.8534 4.9853 4.9857 5.1373 5.1376 5.7753 5.7759 k =-0.1442 0.1243 0.0000 ( 4373 PWs) bands (ev): -17.6224 -17.6224 -17.5488 -17.5488 -14.3108 -14.3108 -14.2883 -14.2883 -7.3468 -7.3468 -7.3246 -7.3245 -6.2531 -6.2525 -6.1711 -6.1707 -6.1705 -6.1699 -5.8098 -5.8091 -3.5276 -3.5260 -3.3728 -3.3724 -3.1079 -3.1064 -3.0105 -3.0040 -2.9902 -2.9836 -2.7938 -2.7935 4.8855 4.8860 4.9856 4.9859 5.1480 5.1484 5.8262 5.8267 k =-0.1538 0.1326-0.0000 ( 4373 PWs) bands (ev): -17.6192 -17.6192 -17.5469 -17.5469 -14.3068 -14.3068 -14.2871 -14.2871 -7.3507 -7.3507 -7.3303 -7.3302 -6.2536 -6.2529 -6.1920 -6.1917 -6.1855 -6.1846 -5.8122 -5.8115 -3.5302 -3.5285 -3.3741 -3.3736 -3.1115 -3.1100 -3.0090 -3.0028 -2.9860 -2.9797 -2.7993 -2.7989 4.9198 4.9203 4.9855 4.9859 5.1595 5.1600 5.8791 5.8796 k =-0.1635 0.1409-0.0000 ( 4367 PWs) bands (ev): -17.6159 -17.6159 -17.5449 -17.5449 -14.3026 -14.3026 -14.2858 -14.2858 -7.3548 -7.3547 -7.3362 -7.3362 -6.2543 -6.2532 -6.2138 -6.2135 -6.2005 -6.1993 -5.8147 -5.8139 -3.5330 -3.5312 -3.3759 -3.3754 -3.1155 -3.1139 -3.0073 -3.0013 -2.9813 -2.9753 -2.8055 -2.8051 4.9555 4.9561 4.9852 4.9855 5.1718 5.1723 5.9337 5.9342 k =-0.1731 0.1491-0.0000 ( 4373 PWs) bands (ev): -17.6125 -17.6125 -17.5429 -17.5429 -14.2983 -14.2983 -14.2844 -14.2844 -7.3589 -7.3588 -7.3425 -7.3424 -6.2553 -6.2538 -6.2365 -6.2362 -6.2155 -6.2139 -5.8173 -5.8165 -3.5360 -3.5341 -3.3782 -3.3777 -3.1200 -3.1183 -3.0052 -2.9995 -2.9761 -2.9704 -2.8125 -2.8121 4.9832 4.9837 4.9940 4.9945 5.1848 5.1853 5.9557 5.9563 k =-0.1827 0.1574 0.0000 ( 4377 PWs) bands (ev): -17.6089 -17.6089 -17.5408 -17.5408 -14.2939 -14.2939 -14.2830 -14.2830 -7.3631 -7.3630 -7.3489 -7.3488 -6.2603 -6.2602 -6.2565 -6.2548 -6.2297 -6.2274 -5.8199 -5.8192 -3.5390 -3.5370 -3.3811 -3.3805 -3.1249 -3.1231 -3.0028 -2.9973 -2.9704 -2.9650 -2.8202 -2.8198 4.9824 4.9828 5.0323 5.0329 5.1983 5.1988 5.9655 5.9662 k =-0.1923 0.1657-0.0000 ( 4387 PWs) bands (ev): -17.6053 -17.6053 -17.5387 -17.5387 -14.2893 -14.2893 -14.2815 -14.2815 -7.3673 -7.3672 -7.3556 -7.3555 -6.2841 -6.2839 -6.2622 -6.2594 -6.2407 -6.2377 -5.8227 -5.8220 -3.5421 -3.5400 -3.3846 -3.3840 -3.1302 -3.1284 -3.0001 -2.9949 -2.9642 -2.9591 -2.8288 -2.8283 4.9805 4.9809 5.0725 5.0731 5.2121 5.2127 5.9752 5.9759 k =-0.2019 0.1740 0.0000 ( 4386 PWs) bands (ev): -17.6016 -17.6016 -17.5365 -17.5365 -14.2846 -14.2846 -14.2799 -14.2799 -7.3716 -7.3715 -7.3624 -7.3623 -6.3087 -6.3085 -6.2725 -6.2703 -6.2450 -6.2426 -5.8255 -5.8248 -3.5452 -3.5430 -3.3886 -3.3880 -3.1360 -3.1342 -2.9970 -2.9922 -2.9575 -2.9527 -2.8381 -2.8376 4.9780 4.9783 5.1139 5.1146 5.2263 5.2269 5.9846 5.9854 k =-0.2115 0.1823 0.0000 ( 4386 PWs) bands (ev): -17.5979 -17.5979 -17.5343 -17.5342 -14.2799 -14.2799 -14.2782 -14.2782 -7.3758 -7.3758 -7.3694 -7.3693 -6.3339 -6.3337 -6.2862 -6.2847 -6.2455 -6.2438 -5.8284 -5.8277 -3.5484 -3.5461 -3.3932 -3.3926 -3.1423 -3.1404 -2.9936 -2.9891 -2.9503 -2.9458 -2.8483 -2.8477 4.9749 4.9751 5.1564 5.1572 5.2406 5.2412 5.9938 5.9947 k =-0.2212 0.1906 0.0000 ( 4382 PWs) bands (ev): -17.5941 -17.5941 -17.5320 -17.5320 -14.2765 -14.2765 -14.2750 -14.2750 -7.3801 -7.3800 -7.3765 -7.3764 -6.3594 -6.3593 -6.3011 -6.3000 -6.2448 -6.2435 -5.8312 -5.8306 -3.5515 -3.5491 -3.3984 -3.3978 -3.1491 -3.1471 -2.9899 -2.9857 -2.9425 -2.9384 -2.8593 -2.8586 4.9711 4.9713 5.1999 5.2007 5.2549 5.2555 6.0027 6.0036 k =-0.2308 0.1989-0.0000 ( 4386 PWs) bands (ev): -17.5902 -17.5902 -17.5297 -17.5297 -14.2747 -14.2747 -14.2701 -14.2700 -7.3843 -7.3842 -7.3837 -7.3836 -6.3853 -6.3852 -6.3164 -6.3156 -6.2434 -6.2424 -5.8341 -5.8335 -3.5545 -3.5521 -3.4042 -3.4035 -3.1563 -3.1543 -2.9860 -2.9821 -2.9343 -2.9306 -2.8711 -2.8704 4.9666 4.9668 5.2442 5.2451 5.2691 5.2697 6.0113 6.0123 k =-0.2404 0.2071-0.0000 ( 4390 PWs) bands (ev): -17.5864 -17.5863 -17.5274 -17.5274 -14.2729 -14.2729 -14.2651 -14.2651 -7.3910 -7.3909 -7.3883 -7.3882 -6.4115 -6.4114 -6.3317 -6.3310 -6.2416 -6.2408 -5.8371 -5.8365 -3.5575 -3.5549 -3.4104 -3.4098 -3.1640 -3.1619 -2.9817 -2.9781 -2.9256 -2.9222 -2.8837 -2.8830 4.9613 4.9615 5.2832 5.2837 5.2893 5.2903 6.0196 6.0207 k =-0.2500 0.2154 0.0000 ( 4386 PWs) bands (ev): -17.5825 -17.5825 -17.5251 -17.5251 -14.2710 -14.2710 -14.2601 -14.2601 -7.3983 -7.3982 -7.3923 -7.3922 -6.4379 -6.4378 -6.3469 -6.3463 -6.2395 -6.2388 -5.8400 -5.8394 -3.5602 -3.5576 -3.4171 -3.4165 -3.1721 -3.1700 -2.9773 -2.9740 -2.9166 -2.9134 -2.8971 -2.8964 4.9554 4.9556 5.2970 5.2975 5.3349 5.3360 6.0276 6.0288 k =-0.2596 0.2237 0.0000 ( 4392 PWs) bands (ev): -17.5786 -17.5786 -17.5228 -17.5228 -14.2691 -14.2691 -14.2551 -14.2551 -7.4057 -7.4056 -7.3961 -7.3960 -6.4644 -6.4643 -6.3619 -6.3614 -6.2371 -6.2365 -5.8429 -5.8423 -3.5628 -3.5601 -3.4242 -3.4236 -3.1806 -3.1784 -2.9726 -2.9696 -2.9112 -2.9107 -2.9069 -2.9043 4.9488 4.9489 5.3104 5.3109 5.3810 5.3821 6.0354 6.0366 k =-0.2692 0.2320-0.0000 ( 4402 PWs) bands (ev): -17.5748 -17.5748 -17.5205 -17.5205 -14.2671 -14.2671 -14.2501 -14.2501 -7.4130 -7.4129 -7.3998 -7.3997 -6.4909 -6.4908 -6.3766 -6.3762 -6.2344 -6.2339 -5.8457 -5.8452 -3.5652 -3.5624 -3.4317 -3.4311 -3.1895 -3.1872 -2.9678 -2.9650 -2.9261 -2.9255 -2.8973 -2.8948 4.9415 4.9416 5.3233 5.3238 5.4273 5.4285 6.0428 6.0441 k =-0.2788 0.2403-0.0000 ( 4406 PWs) bands (ev): -17.5710 -17.5710 -17.5182 -17.5182 -14.2652 -14.2652 -14.2451 -14.2451 -7.4203 -7.4203 -7.4033 -7.4032 -6.5173 -6.5173 -6.3909 -6.3905 -6.2315 -6.2310 -5.8485 -5.8480 -3.5673 -3.5644 -3.4395 -3.4389 -3.1987 -3.1963 -2.9631 -2.9603 -2.9415 -2.9411 -2.8872 -2.8850 4.9336 4.9336 5.3358 5.3362 5.4738 5.4751 6.0499 6.0513 k =-0.2885 0.2486 0.0000 ( 4406 PWs) bands (ev): -17.5672 -17.5672 -17.5160 -17.5160 -14.2631 -14.2631 -14.2402 -14.2402 -7.4275 -7.4275 -7.4065 -7.4064 -6.5436 -6.5436 -6.4047 -6.4044 -6.2283 -6.2279 -5.8513 -5.8508 -3.5691 -3.5661 -3.4475 -3.4469 -3.2082 -3.2057 -2.9612 -2.9579 -2.9550 -2.9545 -2.8769 -2.8749 4.9250 4.9250 5.3476 5.3480 5.5203 5.5217 6.0567 6.0583 k =-0.2981 0.2568-0.0000 ( 4398 PWs) bands (ev): -17.5635 -17.5635 -17.5137 -17.5137 -14.2611 -14.2611 -14.2353 -14.2353 -7.4347 -7.4346 -7.4095 -7.4094 -6.5697 -6.5696 -6.4182 -6.4179 -6.2250 -6.2246 -5.8540 -5.8535 -3.5706 -3.5674 -3.4556 -3.4551 -3.2179 -3.2153 -2.9756 -2.9744 -2.9518 -2.9504 -2.8664 -2.8647 4.9158 4.9158 5.3589 5.3592 5.5665 5.5680 6.0633 6.0650 k =-0.3077 0.2651-0.0000 ( 4406 PWs) bands (ev): -17.5599 -17.5599 -17.5116 -17.5116 -14.2591 -14.2591 -14.2306 -14.2306 -7.4417 -7.4417 -7.4123 -7.4122 -6.5954 -6.5954 -6.4311 -6.4309 -6.2214 -6.2211 -5.8566 -5.8562 -3.5717 -3.5684 -3.4639 -3.4633 -3.2277 -3.2250 -2.9928 -2.9919 -2.9468 -2.9454 -2.8559 -2.8543 4.9060 4.9061 5.3694 5.3698 5.6124 5.6141 6.0696 6.0714 k =-0.3173 0.2734-0.0000 ( 4406 PWs) bands (ev): -17.5564 -17.5564 -17.5095 -17.5095 -14.2570 -14.2570 -14.2259 -14.2259 -7.4486 -7.4485 -7.4148 -7.4147 -6.6208 -6.6208 -6.4435 -6.4433 -6.2178 -6.2175 -5.8592 -5.8588 -3.5723 -3.5689 -3.4722 -3.4717 -3.2377 -3.2348 -3.0107 -3.0099 -2.9416 -2.9404 -2.8453 -2.8439 4.8959 4.8959 5.3793 5.3796 5.6578 5.6595 6.0757 6.0776 k =-0.3269 0.2817-0.0000 ( 4398 PWs) bands (ev): -17.5530 -17.5530 -17.5074 -17.5074 -14.2550 -14.2550 -14.2213 -14.2213 -7.4552 -7.4552 -7.4170 -7.4169 -6.6457 -6.6457 -6.4554 -6.4552 -6.2140 -6.2137 -5.8616 -5.8612 -3.5725 -3.5690 -3.4804 -3.4800 -3.2477 -3.2447 -3.0289 -3.0282 -2.9364 -2.9353 -2.8347 -2.8335 4.8853 4.8854 5.3885 5.3888 5.7024 5.7043 6.0815 6.0836 k =-0.3365 0.2900 0.0000 ( 4396 PWs) bands (ev): -17.5496 -17.5496 -17.5054 -17.5054 -14.2530 -14.2530 -14.2169 -14.2169 -7.4617 -7.4617 -7.4189 -7.4188 -6.6700 -6.6700 -6.4667 -6.4665 -6.2101 -6.2099 -5.8640 -5.8636 -3.5722 -3.5686 -3.4886 -3.4882 -3.2577 -3.2545 -3.0476 -3.0470 -2.9313 -2.9303 -2.8243 -2.8233 4.8745 4.8746 5.3969 5.3972 5.7461 5.7482 6.0871 6.0893 k =-0.3462 0.2983-0.0000 ( 4400 PWs) bands (ev): -17.5465 -17.5465 -17.5035 -17.5035 -14.2511 -14.2511 -14.2127 -14.2127 -7.4680 -7.4679 -7.4205 -7.4204 -6.6937 -6.6937 -6.4773 -6.4772 -6.2062 -6.2061 -5.8663 -5.8659 -3.5714 -3.5677 -3.4966 -3.4962 -3.2676 -3.2642 -3.0664 -3.0659 -2.9262 -2.9254 -2.8140 -2.8131 4.8635 4.8636 5.4047 5.4049 5.7887 5.7910 6.0924 6.0948 k =-0.3558 0.3066-0.0000 ( 4394 PWs) bands (ev): -17.5434 -17.5434 -17.5017 -17.5017 -14.2492 -14.2492 -14.2086 -14.2086 -7.4740 -7.4739 -7.4218 -7.4217 -6.7166 -6.7166 -6.4874 -6.4873 -6.2024 -6.2022 -5.8685 -5.8681 -3.5701 -3.5663 -3.5044 -3.5041 -3.2773 -3.2737 -3.0854 -3.0850 -2.9212 -2.9205 -2.8040 -2.8032 4.8524 4.8526 5.4117 5.4120 5.8300 5.8325 6.0975 6.1001 k =-0.3654 0.3148 0.0000 ( 4390 PWs) bands (ev): -17.5405 -17.5405 -17.4999 -17.4999 -14.2473 -14.2473 -14.2046 -14.2046 -7.4797 -7.4797 -7.4228 -7.4227 -6.7387 -6.7387 -6.4968 -6.4967 -6.1985 -6.1983 -5.8706 -5.8702 -3.5682 -3.5643 -3.5120 -3.5117 -3.2869 -3.2830 -3.1044 -3.1042 -2.9164 -2.9158 -2.7943 -2.7936 4.8414 4.8415 5.4181 5.4183 5.8697 5.8725 6.1023 6.1052 k =-0.3750 0.3231 0.0000 ( 4390 PWs) bands (ev): -17.5378 -17.5377 -17.4982 -17.4982 -14.2456 -14.2456 -14.2009 -14.2009 -7.4851 -7.4851 -7.4235 -7.4235 -6.7599 -6.7598 -6.5056 -6.5055 -6.1947 -6.1945 -5.8725 -5.8722 -3.5658 -3.5617 -3.5192 -3.5190 -3.2961 -3.2920 -3.1234 -3.1233 -2.9118 -2.9113 -2.7849 -2.7844 4.8305 4.8306 5.4238 5.4240 5.9077 5.9109 6.1069 6.1102 k =-0.3846 0.3314-0.0000 ( 4398 PWs) bands (ev): -17.5352 -17.5352 -17.4967 -17.4967 -14.2439 -14.2439 -14.1974 -14.1974 -7.4903 -7.4902 -7.4240 -7.4239 -6.7800 -6.7800 -6.5138 -6.5137 -6.1910 -6.1909 -5.8744 -5.8741 -3.5628 -3.5587 -3.5261 -3.5259 -3.3051 -3.3007 -3.1422 -3.1421 -2.9074 -2.9069 -2.7760 -2.7755 4.8198 4.8199 5.4289 5.4291 5.9437 5.9473 6.1114 6.1150 k =-0.3942 0.3397 0.0000 ( 4410 PWs) bands (ev): -17.5328 -17.5328 -17.4952 -17.4952 -14.2423 -14.2423 -14.1942 -14.1942 -7.4950 -7.4950 -7.4242 -7.4242 -6.7991 -6.7990 -6.5213 -6.5212 -6.1874 -6.1873 -5.8761 -5.8759 -3.5594 -3.5551 -3.5326 -3.5325 -3.3136 -3.3090 -3.1608 -3.1605 -2.9032 -2.9028 -2.7676 -2.7672 4.8095 4.8096 5.4334 5.4335 5.9775 5.9816 6.1156 6.1197 k =-0.4038 0.3480 0.0000 ( 4406 PWs) bands (ev): -17.5305 -17.5305 -17.4939 -17.4939 -14.2408 -14.2408 -14.1912 -14.1912 -7.4995 -7.4994 -7.4243 -7.4242 -6.8169 -6.8168 -6.5281 -6.5281 -6.1840 -6.1839 -5.8777 -5.8774 -3.5555 -3.5510 -3.5386 -3.5386 -3.3217 -3.3168 -3.1790 -3.1784 -2.8992 -2.8989 -2.7597 -2.7594 4.7997 4.7998 5.4373 5.4374 6.0087 6.0134 6.1197 6.1245 k =-0.4135 0.3563-0.0000 ( 4410 PWs) bands (ev): -17.5285 -17.5285 -17.4927 -17.4927 -14.2394 -14.2394 -14.1884 -14.1884 -7.5035 -7.5035 -7.4241 -7.4240 -6.8334 -6.8333 -6.5343 -6.5343 -6.1808 -6.1808 -5.8791 -5.8789 -3.5515 -3.5465 -3.5442 -3.5437 -3.3293 -3.3242 -3.1965 -3.1956 -2.8956 -2.8953 -2.7524 -2.7521 4.7904 4.7905 5.4407 5.4408 6.0370 6.0426 6.1238 6.1295 k =-0.4231 0.3646 0.0000 ( 4414 PWs) bands (ev): -17.5267 -17.5267 -17.4915 -17.4915 -14.2382 -14.2382 -14.1859 -14.1859 -7.5072 -7.5072 -7.4237 -7.4237 -6.8485 -6.8485 -6.5399 -6.5398 -6.1779 -6.1778 -5.8804 -5.8802 -3.5508 -3.5495 -3.5446 -3.5416 -3.3364 -3.3311 -3.2132 -3.2121 -2.8922 -2.8920 -2.7457 -2.7455 4.7818 4.7819 5.4436 5.4437 6.0619 6.0685 6.1282 6.1349 k =-0.4327 0.3728 0.0000 ( 4406 PWs) bands (ev): -17.5250 -17.5250 -17.4906 -17.4905 -14.2370 -14.2370 -14.1836 -14.1836 -7.5105 -7.5104 -7.4233 -7.4232 -6.8621 -6.8621 -6.5447 -6.5447 -6.1752 -6.1751 -5.8816 -5.8814 -3.5546 -3.5541 -3.5401 -3.5365 -3.3429 -3.3374 -3.2288 -3.2275 -2.8892 -2.8890 -2.7397 -2.7395 4.7740 4.7741 5.4461 5.4462 6.0827 6.0904 6.1336 6.1413 k =-0.4423 0.3811 0.0000 ( 4402 PWs) bands (ev): -17.5236 -17.5236 -17.4897 -17.4897 -14.2360 -14.2360 -14.1816 -14.1816 -7.5133 -7.5133 -7.4227 -7.4227 -6.8741 -6.8741 -6.5490 -6.5489 -6.1728 -6.1728 -5.8826 -5.8824 -3.5585 -3.5581 -3.5350 -3.5313 -3.3487 -3.3432 -3.2431 -3.2416 -2.8866 -2.8864 -2.7344 -2.7342 4.7670 4.7671 5.4481 5.4482 6.0988 6.1068 6.1413 6.1493 k =-0.4519 0.3894 0.0000 ( 4412 PWs) bands (ev): -17.5224 -17.5224 -17.4889 -17.4889 -14.2351 -14.2351 -14.1800 -14.1800 -7.5158 -7.5158 -7.4222 -7.4222 -6.8844 -6.8844 -6.5526 -6.5525 -6.1708 -6.1708 -5.8834 -5.8833 -3.5618 -3.5616 -3.5297 -3.5263 -3.3539 -3.3485 -3.2559 -3.2542 -2.8843 -2.8842 -2.7299 -2.7298 4.7610 4.7611 5.4498 5.4499 6.1100 6.1168 6.1517 6.1586 k =-0.4615 0.3977-0.0000 ( 4424 PWs) bands (ev): -17.5214 -17.5214 -17.4883 -17.4883 -14.2344 -14.2344 -14.1787 -14.1787 -7.5178 -7.5178 -7.4217 -7.4217 -6.8930 -6.8930 -6.5555 -6.5555 -6.1691 -6.1691 -5.8842 -5.8841 -3.5646 -3.5644 -3.5247 -3.5216 -3.3582 -3.3532 -3.2668 -3.2651 -2.8824 -2.8823 -2.7261 -2.7260 4.7560 4.7560 5.4511 5.4512 6.1173 6.1223 6.1633 6.1683 k =-0.4712 0.4060 0.0000 ( 4418 PWs) bands (ev): -17.5206 -17.5206 -17.4879 -17.4879 -14.2339 -14.2339 -14.1776 -14.1776 -7.5194 -7.5194 -7.4212 -7.4212 -6.8998 -6.8998 -6.5577 -6.5577 -6.1677 -6.1677 -5.8847 -5.8846 -3.5668 -3.5667 -3.5202 -3.5176 -3.3615 -3.3573 -3.2755 -3.2740 -2.8809 -2.8809 -2.7232 -2.7231 4.7520 4.7521 5.4521 5.4522 6.1220 6.1253 6.1737 6.1771 k =-0.4808 0.4143-0.0000 ( 4426 PWs) bands (ev): -17.5201 -17.5201 -17.4875 -17.4875 -14.2335 -14.2335 -14.1768 -14.1768 -7.5205 -7.5205 -7.4209 -7.4209 -6.9047 -6.9047 -6.5594 -6.5593 -6.1667 -6.1667 -5.8851 -5.8851 -3.5684 -3.5683 -3.5165 -3.5146 -3.3638 -3.3607 -3.2818 -3.2807 -2.8799 -2.8798 -2.7211 -2.7210 4.7491 4.7492 5.4528 5.4529 6.1249 6.1270 6.1816 6.1837 k =-0.4904 0.4226 0.0000 ( 4426 PWs) bands (ev): -17.5197 -17.5197 -17.4873 -17.4873 -14.2332 -14.2332 -14.1763 -14.1763 -7.5212 -7.5212 -7.4207 -7.4207 -6.9076 -6.9076 -6.5603 -6.5603 -6.1662 -6.1662 -5.8853 -5.8853 -3.5693 -3.5693 -3.5139 -3.5129 -3.3649 -3.3633 -3.2855 -3.2849 -2.8792 -2.8792 -2.7198 -2.7198 4.7474 4.7474 5.4533 5.4533 6.1267 6.1277 6.1867 6.1877 k =-0.5000 0.4308 0.0000 ( 4426 PWs) bands (ev): -17.5196 -17.5196 -17.4873 -17.4873 -14.2331 -14.2331 -14.1762 -14.1762 -7.5214 -7.5214 -7.4206 -7.4206 -6.9086 -6.9086 -6.5606 -6.5606 -6.1660 -6.1660 -5.8854 -5.8854 -3.5696 -3.5696 -3.5126 -3.5126 -3.3647 -3.3647 -3.2865 -3.2865 -2.8790 -2.8790 -2.7194 -2.7194 4.7468 4.7468 5.4534 5.4534 6.1276 6.1276 6.1887 6.1887 k =-0.5000 0.4308 0.0000 ( 4426 PWs) bands (ev): -17.5196 -17.5196 -17.4873 -17.4873 -14.2331 -14.2331 -14.1762 -14.1762 -7.5214 -7.5214 -7.4206 -7.4206 -6.9086 -6.9086 -6.5606 -6.5606 -6.1660 -6.1660 -5.8854 -5.8854 -3.5696 -3.5696 -3.5126 -3.5126 -3.3647 -3.3647 -3.2865 -3.2865 -2.8790 -2.8790 -2.7194 -2.7194 4.7468 4.7468 5.4534 5.4534 6.1276 6.1276 6.1887 6.1887 k =-0.4920 0.4402-0.0000 ( 4430 PWs) bands (ev): -17.5196 -17.5196 -17.4873 -17.4873 -14.2334 -14.2334 -14.1762 -14.1762 -7.5212 -7.5212 -7.4205 -7.4205 -6.9081 -6.9081 -6.5603 -6.5603 -6.1668 -6.1667 -5.8854 -5.8854 -3.5722 -3.5706 -3.5108 -3.5093 -3.3644 -3.3644 -3.2862 -3.2861 -2.8788 -2.8786 -2.7194 -2.7194 4.7470 4.7470 5.4526 5.4526 6.1257 6.1257 6.1881 6.1881 k =-0.4839 0.4495-0.0000 ( 4426 PWs) bands (ev): -17.5196 -17.5196 -17.4875 -17.4875 -14.2340 -14.2340 -14.1764 -14.1764 -7.5205 -7.5205 -7.4202 -7.4202 -6.9066 -6.9066 -6.5592 -6.5592 -6.1691 -6.1690 -5.8854 -5.8854 -3.5771 -3.5744 -3.5043 -3.5019 -3.3637 -3.3637 -3.2849 -3.2848 -2.8779 -2.8776 -2.7196 -2.7196 4.7475 4.7475 5.4504 5.4504 6.1203 6.1203 6.1863 6.1863 k =-0.4759 0.4589-0.0000 ( 4426 PWs) bands (ev): -17.5197 -17.5197 -17.4879 -17.4879 -14.2350 -14.2350 -14.1767 -14.1767 -7.5194 -7.5194 -7.4198 -7.4198 -6.9042 -6.9042 -6.5575 -6.5575 -6.1729 -6.1728 -5.8855 -5.8854 -3.5828 -3.5795 -3.4951 -3.4922 -3.3625 -3.3624 -3.2827 -3.2826 -2.8764 -2.8759 -2.7199 -2.7199 4.7483 4.7484 5.4466 5.4466 6.1113 6.1113 6.1833 6.1834 k =-0.4678 0.4682-0.0000 ( 4422 PWs) bands (ev): -17.5197 -17.5197 -17.4884 -17.4884 -14.2364 -14.2364 -14.1771 -14.1771 -7.5179 -7.5178 -7.4192 -7.4192 -6.9008 -6.9008 -6.5550 -6.5550 -6.1781 -6.1779 -5.8856 -5.8855 -3.5883 -3.5848 -3.4845 -3.4815 -3.3607 -3.3607 -3.2792 -3.2791 -2.8743 -2.8736 -2.7203 -2.7202 4.7495 4.7495 5.4414 5.4414 6.0989 6.0989 6.1792 6.1792 k =-0.4598 0.4775-0.0000 ( 4418 PWs) bands (ev): -17.5198 -17.5198 -17.4890 -17.4890 -14.2382 -14.2382 -14.1776 -14.1776 -7.5159 -7.5159 -7.4184 -7.4183 -6.8965 -6.8965 -6.5519 -6.5519 -6.1845 -6.1844 -5.8858 -5.8857 -3.5932 -3.5895 -3.4736 -3.4707 -3.3585 -3.3585 -3.2741 -3.2741 -2.8715 -2.8707 -2.7208 -2.7208 4.7510 4.7511 5.4347 5.4347 6.0833 6.0833 6.1738 6.1739 k =-0.4517 0.4869-0.0000 ( 4414 PWs) bands (ev): -17.5199 -17.5199 -17.4897 -17.4897 -14.2403 -14.2403 -14.1782 -14.1782 -7.5136 -7.5136 -7.4173 -7.4173 -6.8912 -6.8912 -6.5480 -6.5480 -6.1922 -6.1920 -5.8861 -5.8860 -3.5972 -3.5934 -3.4633 -3.4605 -3.3558 -3.3558 -3.2673 -3.2672 -2.8681 -2.8672 -2.7214 -2.7214 4.7529 4.7530 5.4267 5.4267 6.0647 6.0647 6.1674 6.1674 k =-0.4437 0.4962-0.0000 ( 4402 PWs) bands (ev): -17.5201 -17.5201 -17.4906 -17.4906 -14.2427 -14.2427 -14.1790 -14.1790 -7.5110 -7.5109 -7.4160 -7.4160 -6.8850 -6.8850 -6.5435 -6.5435 -6.2009 -6.2007 -5.8866 -5.8864 -3.6000 -3.5962 -3.4542 -3.4517 -3.3526 -3.3526 -3.2584 -3.2580 -2.8641 -2.8630 -2.7221 -2.7221 4.7553 4.7554 5.4173 5.4173 6.0434 6.0434 6.1598 6.1598 k =-0.4356 0.5056-0.0000 ( 4402 PWs) bands (ev): -17.5203 -17.5202 -17.4916 -17.4916 -14.2454 -14.2454 -14.1800 -14.1800 -7.5081 -7.5080 -7.4145 -7.4145 -6.8778 -6.8778 -6.5383 -6.5383 -6.2106 -6.2103 -5.8872 -5.8870 -3.6018 -3.5979 -3.4467 -3.4446 -3.3490 -3.3490 -3.2471 -3.2464 -2.8595 -2.8583 -2.7229 -2.7229 4.7580 4.7582 5.4067 5.4067 6.0195 6.0195 6.1511 6.1511 k =-0.4356 0.5056-0.0000 ( 4402 PWs) bands (ev): -17.5203 -17.5202 -17.4916 -17.4916 -14.2454 -14.2454 -14.1800 -14.1800 -7.5081 -7.5080 -7.4145 -7.4145 -6.8778 -6.8778 -6.5383 -6.5383 -6.2106 -6.2103 -5.8872 -5.8870 -3.6018 -3.5979 -3.4467 -3.4446 -3.3490 -3.3490 -3.2471 -3.2464 -2.8595 -2.8583 -2.7229 -2.7229 4.7580 4.7582 5.4067 5.4067 6.0195 6.0195 6.1511 6.1511 k =-0.4356 0.5056 0.0123 ( 4400 PWs) bands (ev): -17.5202 -17.5202 -17.4917 -17.4917 -14.2453 -14.2453 -14.1801 -14.1801 -7.5080 -7.5079 -7.4147 -7.4146 -6.8774 -6.8774 -6.5389 -6.5388 -6.2101 -6.2099 -5.8876 -5.8875 -3.6015 -3.5976 -3.4467 -3.4446 -3.3480 -3.3480 -3.2468 -3.2461 -2.8602 -2.8590 -2.7237 -2.7237 4.7596 4.7598 5.4076 5.4076 6.0173 6.0173 6.1498 6.1499 k =-0.4356 0.5056 0.0245 ( 4398 PWs) bands (ev): -17.5201 -17.5201 -17.4918 -17.4918 -14.2451 -14.2451 -14.1803 -14.1803 -7.5076 -7.5076 -7.4151 -7.4150 -6.8761 -6.8761 -6.5405 -6.5405 -6.2087 -6.2085 -5.8888 -5.8887 -3.6005 -3.5966 -3.4468 -3.4448 -3.3452 -3.3452 -3.2461 -3.2453 -2.8623 -2.8611 -2.7262 -2.7262 4.7643 4.7645 5.4103 5.4103 6.0109 6.0109 6.1460 6.1460 k =-0.4356 0.5056 0.0368 ( 4402 PWs) bands (ev): -17.5199 -17.5199 -17.4920 -17.4920 -14.2446 -14.2446 -14.1808 -14.1808 -7.5071 -7.5071 -7.4158 -7.4158 -6.8741 -6.8741 -6.5433 -6.5432 -6.2064 -6.2062 -5.8909 -5.8908 -3.5989 -3.5950 -3.4470 -3.4450 -3.3406 -3.3406 -3.2448 -3.2440 -2.8659 -2.8647 -2.7304 -2.7303 4.7723 4.7724 5.4147 5.4147 6.0003 6.0003 6.1397 6.1397 k =-0.4356 0.5056 0.0491 ( 4405 PWs) bands (ev): -17.5196 -17.5196 -17.4923 -17.4923 -14.2440 -14.2440 -14.1815 -14.1815 -7.5064 -7.5063 -7.4168 -7.4168 -6.8712 -6.8712 -6.5471 -6.5471 -6.2032 -6.2030 -5.8938 -5.8937 -3.5966 -3.5928 -3.4472 -3.4454 -3.3342 -3.3342 -3.2429 -3.2420 -2.8708 -2.8696 -2.7361 -2.7361 4.7832 4.7834 5.4209 5.4209 5.9856 5.9856 6.1309 6.1309 k =-0.4356 0.5056 0.0613 ( 4408 PWs) bands (ev): -17.5193 -17.5193 -17.4926 -17.4926 -14.2432 -14.2432 -14.1823 -14.1823 -7.5054 -7.5054 -7.4181 -7.4181 -6.8675 -6.8675 -6.5519 -6.5519 -6.1991 -6.1989 -5.8976 -5.8975 -3.5938 -3.5900 -3.4476 -3.4459 -3.3260 -3.3259 -3.2404 -3.2395 -2.8770 -2.8758 -2.7435 -2.7435 4.7973 4.7975 5.4288 5.4288 5.9671 5.9671 6.1197 6.1198 k =-0.4356 0.5056 0.0736 ( 4409 PWs) bands (ev): -17.5188 -17.5188 -17.4930 -17.4930 -14.2423 -14.2423 -14.1833 -14.1833 -7.5043 -7.5042 -7.4197 -7.4196 -6.8631 -6.8631 -6.5577 -6.5577 -6.1941 -6.1939 -5.9021 -5.9020 -3.5903 -3.5866 -3.4482 -3.4466 -3.3161 -3.3160 -3.2372 -3.2363 -2.8846 -2.8833 -2.7525 -2.7524 4.8143 4.8145 5.4384 5.4384 5.9448 5.9448 6.1064 6.1064 k =-0.4356 0.5056 0.0859 ( 4405 PWs) bands (ev): -17.5183 -17.5183 -17.4935 -17.4935 -14.2411 -14.2411 -14.1845 -14.1845 -7.5029 -7.5028 -7.4215 -7.4214 -6.8578 -6.8578 -6.5645 -6.5645 -6.1883 -6.1881 -5.9074 -5.9073 -3.5864 -3.5827 -3.4490 -3.4476 -3.3045 -3.3044 -3.2334 -3.2323 -2.8933 -2.8921 -2.7629 -2.7629 4.8343 4.8344 5.4496 5.4496 5.9190 5.9190 6.0909 6.0909 k =-0.4356 0.5056 0.0981 ( 4406 PWs) bands (ev): -17.5178 -17.5178 -17.4941 -17.4941 -14.2399 -14.2398 -14.1858 -14.1858 -7.5013 -7.5012 -7.4236 -7.4235 -6.8519 -6.8519 -6.5722 -6.5722 -6.1816 -6.1814 -5.9135 -5.9134 -3.5819 -3.5783 -3.4500 -3.4489 -3.2914 -3.2913 -3.2287 -3.2276 -2.9032 -2.9019 -2.7748 -2.7748 4.8570 4.8572 5.4625 5.4625 5.8900 5.8900 6.0735 6.0735 k =-0.4356 0.5056 0.1104 ( 4403 PWs) bands (ev): -17.5171 -17.5171 -17.4948 -17.4948 -14.2384 -14.2384 -14.1873 -14.1873 -7.4995 -7.4995 -7.4259 -7.4258 -6.8451 -6.8451 -6.5807 -6.5807 -6.1742 -6.1740 -5.9203 -5.9202 -3.5770 -3.5735 -3.4514 -3.4504 -3.2768 -3.2767 -3.2233 -3.2221 -2.9142 -2.9129 -2.7882 -2.7881 4.8824 4.8826 5.4769 5.4769 5.8580 5.8580 6.0542 6.0542 k =-0.4356 0.5056 0.1227 ( 4405 PWs) bands (ev): -17.5164 -17.5164 -17.4955 -17.4955 -14.2369 -14.2369 -14.1889 -14.1889 -7.4975 -7.4975 -7.4284 -7.4283 -6.8377 -6.8377 -6.5899 -6.5899 -6.1661 -6.1659 -5.9278 -5.9277 -3.5717 -3.5683 -3.4531 -3.4524 -3.2609 -3.2607 -3.2169 -3.2157 -2.9261 -2.9248 -2.8028 -2.8028 4.9104 4.9106 5.4928 5.4929 5.8233 5.8233 6.0333 6.0334 k =-0.4356 0.5056 0.1349 ( 4407 PWs) bands (ev): -17.5157 -17.5157 -17.4962 -17.4962 -14.2352 -14.2352 -14.1907 -14.1907 -7.4954 -7.4953 -7.4311 -7.4311 -6.8296 -6.8296 -6.5998 -6.5998 -6.1573 -6.1571 -5.9360 -5.9360 -3.5660 -3.5627 -3.4552 -3.4548 -3.2437 -3.2435 -3.2097 -3.2083 -2.9389 -2.9375 -2.8187 -2.8187 4.9409 4.9410 5.5102 5.5102 5.7862 5.7862 6.0110 6.0110 k =-0.4356 0.5056 0.1472 ( 4402 PWs) bands (ev): -17.5149 -17.5149 -17.4970 -17.4970 -14.2334 -14.2333 -14.1926 -14.1926 -7.4930 -7.4930 -7.4340 -7.4340 -6.8209 -6.8209 -6.6104 -6.6104 -6.1478 -6.1477 -5.9449 -5.9448 -3.5600 -3.5568 -3.4577 -3.4575 -3.2255 -3.2251 -3.2014 -3.2001 -2.9525 -2.9511 -2.8359 -2.8358 4.9736 4.9737 5.5290 5.5290 5.7470 5.7470 5.9874 5.9874 k =-0.4356 0.5056 0.1595 ( 4404 PWs) bands (ev): -17.5140 -17.5140 -17.4979 -17.4979 -14.2314 -14.2314 -14.1946 -14.1946 -7.4904 -7.4904 -7.4371 -7.4371 -6.8116 -6.8116 -6.6215 -6.6215 -6.1378 -6.1376 -5.9543 -5.9542 -3.5537 -3.5506 -3.4607 -3.4607 -3.2064 -3.2058 -3.1920 -3.1908 -2.9668 -2.9653 -2.8541 -2.8540 5.0085 5.0086 5.5491 5.5491 5.7060 5.7060 5.9627 5.9627 k =-0.4356 0.5056 0.1717 ( 4402 PWs) bands (ev): -17.5131 -17.5131 -17.4988 -17.4988 -14.2294 -14.2294 -14.1967 -14.1967 -7.4877 -7.4877 -7.4403 -7.4403 -6.8016 -6.8016 -6.6330 -6.6330 -6.1273 -6.1271 -5.9643 -5.9642 -3.5472 -3.5443 -3.4644 -3.4641 -3.1876 -3.1860 -3.1804 -3.1802 -2.9816 -2.9801 -2.8733 -2.8732 5.0454 5.0455 5.5703 5.5704 5.6634 5.6634 5.9370 5.9370 k =-0.4356 0.5056 0.1840 ( 4402 PWs) bands (ev): -17.5122 -17.5122 -17.4997 -17.4997 -14.2272 -14.2272 -14.1989 -14.1989 -7.4848 -7.4848 -7.4437 -7.4436 -6.7912 -6.7912 -6.6450 -6.6450 -6.1163 -6.1162 -5.9747 -5.9747 -3.5406 -3.5378 -3.4685 -3.4680 -3.1733 -3.1709 -3.1632 -3.1626 -2.9969 -2.9953 -2.8934 -2.8933 5.0841 5.0842 5.5926 5.5926 5.6197 5.6198 5.9106 5.9106 k =-0.4356 0.5056 0.1963 ( 4406 PWs) bands (ev): -17.5112 -17.5112 -17.5007 -17.5007 -14.2250 -14.2250 -14.2011 -14.2011 -7.4818 -7.4818 -7.4471 -7.4471 -6.7803 -6.7803 -6.6572 -6.6572 -6.1049 -6.1048 -5.9857 -5.9857 -3.5339 -3.5313 -3.4730 -3.4723 -3.1609 -3.1587 -3.1417 -3.1414 -3.0124 -3.0108 -2.9143 -2.9142 5.1244 5.1245 5.5744 5.5745 5.6165 5.6165 5.8836 5.8836 k =-0.4356 0.5056 0.2085 ( 4404 PWs) bands (ev): -17.5102 -17.5102 -17.5017 -17.5017 -14.2227 -14.2227 -14.2035 -14.2035 -7.4786 -7.4786 -7.4506 -7.4506 -6.7690 -6.7690 -6.6697 -6.6697 -6.0932 -6.0931 -5.9970 -5.9970 -3.5272 -3.5247 -3.4779 -3.4769 -3.1481 -3.1461 -3.1194 -3.1192 -3.0282 -3.0265 -2.9359 -2.9358 5.1662 5.1663 5.5289 5.5290 5.6408 5.6408 5.8562 5.8562 k =-0.4356 0.5056 0.2208 ( 4402 PWs) bands (ev): -17.5092 -17.5092 -17.5028 -17.5028 -14.2204 -14.2204 -14.2058 -14.2058 -7.4753 -7.4753 -7.4542 -7.4542 -6.7573 -6.7573 -6.6823 -6.6823 -6.0813 -6.0812 -6.0086 -6.0086 -3.5205 -3.5181 -3.4832 -3.4820 -3.1347 -3.1327 -3.0967 -3.0965 -3.0440 -3.0423 -2.9580 -2.9580 5.2092 5.2093 5.4829 5.4829 5.6661 5.6661 5.8286 5.8286 k =-0.4356 0.5056 0.2331 ( 4406 PWs) bands (ev): -17.5081 -17.5081 -17.5038 -17.5038 -14.2180 -14.2180 -14.2083 -14.2083 -7.4719 -7.4719 -7.4578 -7.4578 -6.7452 -6.7452 -6.6950 -6.6950 -6.0692 -6.0691 -6.0205 -6.0205 -3.5138 -3.5117 -3.4888 -3.4874 -3.1207 -3.1188 -3.0738 -3.0738 -3.0595 -3.0579 -2.9807 -2.9806 5.2534 5.2534 5.4365 5.4366 5.6921 5.6921 5.8009 5.8009 k =-0.4356 0.5056 0.2453 ( 4414 PWs) bands (ev): -17.5070 -17.5070 -17.5049 -17.5049 -14.2156 -14.2156 -14.2107 -14.2107 -7.4685 -7.4685 -7.4614 -7.4614 -6.7329 -6.7329 -6.7078 -6.7078 -6.0570 -6.0569 -6.0326 -6.0325 -3.5073 -3.5053 -3.4947 -3.4931 -3.1062 -3.1042 -3.0759 -3.0740 -3.0500 -3.0499 -3.0037 -3.0036 5.2984 5.2984 5.3902 5.3902 5.7187 5.7187 5.7732 5.7732 k =-0.4356 0.5056 0.2576 ( 4414 PWs) bands (ev): -17.5060 -17.5060 -17.5060 -17.5060 -14.2132 -14.2132 -14.2132 -14.2132 -7.4650 -7.4650 -7.4649 -7.4649 -6.7204 -6.7204 -6.7204 -6.7204 -6.0448 -6.0448 -6.0447 -6.0447 -3.5009 -3.5009 -3.4991 -3.4991 -3.0912 -3.0912 -3.0893 -3.0893 -3.0268 -3.0268 -3.0267 -3.0267 5.3440 5.3440 5.3441 5.3441 5.7458 5.7458 5.7458 5.7458 k =-0.4356 0.5056 0.2576 ( 4414 PWs) bands (ev): -17.5060 -17.5060 -17.5060 -17.5060 -14.2132 -14.2132 -14.2132 -14.2132 -7.4650 -7.4650 -7.4649 -7.4649 -6.7204 -6.7204 -6.7204 -6.7204 -6.0448 -6.0448 -6.0447 -6.0447 -3.5009 -3.5009 -3.4991 -3.4991 -3.0912 -3.0912 -3.0893 -3.0893 -3.0268 -3.0268 -3.0267 -3.0267 5.3440 5.3440 5.3441 5.3441 5.7458 5.7458 5.7458 5.7458 k =-0.4437 0.4962 0.2576 ( 4406 PWs) bands (ev): -17.5054 -17.5054 -17.5054 -17.5054 -14.2113 -14.2113 -14.2113 -14.2113 -7.4680 -7.4680 -7.4680 -7.4680 -6.7267 -6.7267 -6.7267 -6.7267 -6.0378 -6.0378 -6.0378 -6.0378 -3.5013 -3.5013 -3.4997 -3.4997 -3.1030 -3.1030 -3.1013 -3.1013 -3.0282 -3.0282 -3.0281 -3.0281 5.3525 5.3525 5.3526 5.3526 5.7540 5.7540 5.7541 5.7541 k =-0.4517 0.4869 0.2576 ( 4410 PWs) bands (ev): -17.5049 -17.5049 -17.5049 -17.5049 -14.2096 -14.2096 -14.2096 -14.2096 -7.4707 -7.4707 -7.4707 -7.4707 -6.7322 -6.7322 -6.7322 -6.7322 -6.0317 -6.0317 -6.0317 -6.0317 -3.5016 -3.5016 -3.5001 -3.5001 -3.1136 -3.1136 -3.1120 -3.1120 -3.0293 -3.0293 -3.0292 -3.0292 5.3600 5.3600 5.3601 5.3601 5.7613 5.7613 5.7613 5.7613 k =-0.4598 0.4775 0.2576 ( 4414 PWs) bands (ev): -17.5044 -17.5044 -17.5044 -17.5044 -14.2082 -14.2082 -14.2082 -14.2082 -7.4730 -7.4730 -7.4730 -7.4730 -6.7369 -6.7369 -6.7369 -6.7369 -6.0264 -6.0264 -6.0263 -6.0263 -3.5018 -3.5018 -3.5005 -3.5005 -3.1228 -3.1228 -3.1214 -3.1214 -3.0303 -3.0303 -3.0302 -3.0302 5.3666 5.3666 5.3666 5.3666 5.7675 5.7675 5.7675 5.7675 k =-0.4678 0.4682 0.2576 ( 4414 PWs) bands (ev): -17.5041 -17.5041 -17.5041 -17.5041 -14.2071 -14.2071 -14.2071 -14.2071 -7.4749 -7.4749 -7.4749 -7.4749 -6.7407 -6.7407 -6.7407 -6.7407 -6.0219 -6.0219 -6.0219 -6.0219 -3.5018 -3.5018 -3.5008 -3.5008 -3.1304 -3.1304 -3.1293 -3.1293 -3.0311 -3.0311 -3.0311 -3.0311 5.3721 5.3721 5.3721 5.3721 5.7726 5.7726 5.7726 5.7726 k =-0.4759 0.4589 0.2576 ( 4422 PWs) bands (ev): -17.5038 -17.5038 -17.5038 -17.5038 -14.2062 -14.2062 -14.2062 -14.2062 -7.4764 -7.4764 -7.4764 -7.4764 -6.7437 -6.7437 -6.7437 -6.7437 -6.0184 -6.0184 -6.0184 -6.0184 -3.5018 -3.5018 -3.5010 -3.5010 -3.1365 -3.1365 -3.1356 -3.1356 -3.0317 -3.0317 -3.0317 -3.0317 5.3764 5.3764 5.3764 5.3764 5.7766 5.7766 5.7766 5.7766 k =-0.4839 0.4495 0.2576 ( 4418 PWs) bands (ev): -17.5036 -17.5036 -17.5036 -17.5036 -14.2055 -14.2055 -14.2055 -14.2055 -7.4775 -7.4775 -7.4775 -7.4775 -6.7458 -6.7458 -6.7458 -6.7458 -6.0158 -6.0158 -6.0158 -6.0158 -3.5018 -3.5018 -3.5012 -3.5012 -3.1408 -3.1408 -3.1403 -3.1403 -3.0322 -3.0322 -3.0321 -3.0321 5.3795 5.3795 5.3796 5.3796 5.7795 5.7795 5.7795 5.7795 k =-0.4920 0.4402 0.2576 ( 4414 PWs) bands (ev): -17.5035 -17.5035 -17.5035 -17.5035 -14.2051 -14.2051 -14.2051 -14.2051 -7.4782 -7.4782 -7.4782 -7.4782 -6.7471 -6.7471 -6.7471 -6.7471 -6.0143 -6.0143 -6.0143 -6.0143 -3.5016 -3.5016 -3.5014 -3.5014 -3.1434 -3.1434 -3.1431 -3.1431 -3.0324 -3.0324 -3.0324 -3.0324 5.3815 5.3815 5.3815 5.3815 5.7812 5.7812 5.7812 5.7812 k =-0.5000 0.4308 0.2576 ( 4412 PWs) bands (ev): -17.5035 -17.5035 -17.5035 -17.5035 -14.2049 -14.2049 -14.2049 -14.2049 -7.4784 -7.4784 -7.4784 -7.4784 -6.7475 -6.7475 -6.7475 -6.7475 -6.0137 -6.0137 -6.0137 -6.0137 -3.5015 -3.5015 -3.5015 -3.5015 -3.1442 -3.1442 -3.1442 -3.1442 -3.0325 -3.0325 -3.0325 -3.0325 5.3821 5.3821 5.3821 5.3821 5.7818 5.7818 5.7818 5.7818 k =-0.5000 0.4308 0.2576 ( 4412 PWs) bands (ev): -17.5035 -17.5035 -17.5035 -17.5035 -14.2049 -14.2049 -14.2049 -14.2049 -7.4784 -7.4784 -7.4784 -7.4784 -6.7475 -6.7475 -6.7475 -6.7475 -6.0137 -6.0137 -6.0137 -6.0137 -3.5015 -3.5015 -3.5015 -3.5015 -3.1442 -3.1442 -3.1442 -3.1442 -3.0325 -3.0325 -3.0325 -3.0325 5.3821 5.3821 5.3821 5.3821 5.7818 5.7818 5.7818 5.7818 k =-0.5000 0.4308 0.2453 ( 4414 PWs) bands (ev): -17.5047 -17.5047 -17.5023 -17.5023 -14.2071 -14.2071 -14.2028 -14.2028 -7.4821 -7.4821 -7.4746 -7.4746 -6.7603 -6.7603 -6.7346 -6.7346 -6.0244 -6.0244 -6.0032 -6.0032 -3.5062 -3.5062 -3.4971 -3.4971 -3.1614 -3.1614 -3.1264 -3.1264 -3.0565 -3.0565 -3.0086 -3.0086 5.3324 5.3324 5.4323 5.4323 5.7553 5.7553 5.8088 5.8088 k =-0.5000 0.4308 0.2331 ( 4408 PWs) bands (ev): -17.5059 -17.5059 -17.5011 -17.5011 -14.2092 -14.2092 -14.2007 -14.2007 -7.4857 -7.4857 -7.4707 -7.4707 -6.7729 -6.7729 -6.7215 -6.7215 -6.0351 -6.0351 -5.9929 -5.9929 -3.5111 -3.5111 -3.4929 -3.4929 -3.1780 -3.1780 -3.1084 -3.1084 -3.0804 -3.0804 -2.9849 -2.9849 5.2835 5.2835 5.4829 5.4829 5.7293 5.7293 5.8360 5.8360 k =-0.5000 0.4308 0.2208 ( 4408 PWs) bands (ev): -17.5071 -17.5071 -17.4999 -17.4999 -14.2113 -14.2113 -14.1986 -14.1986 -7.4892 -7.4892 -7.4668 -7.4668 -6.7853 -6.7853 -6.7085 -6.7085 -6.0458 -6.0458 -5.9828 -5.9828 -3.5161 -3.5161 -3.4893 -3.4893 -3.1937 -3.1937 -3.1047 -3.1047 -3.0896 -3.0896 -2.9616 -2.9616 5.2355 5.2355 5.5335 5.5335 5.7040 5.7040 5.8633 5.8633 k =-0.5000 0.4308 0.2085 ( 4404 PWs) bands (ev): -17.5082 -17.5082 -17.4987 -17.4987 -14.2133 -14.2133 -14.1965 -14.1965 -7.4926 -7.4926 -7.4629 -7.4629 -6.7972 -6.7972 -6.6956 -6.6956 -6.0564 -6.0564 -5.9731 -5.9731 -3.5211 -3.5211 -3.4863 -3.4863 -3.2085 -3.2085 -3.1280 -3.1280 -3.0716 -3.0716 -2.9387 -2.9387 5.1888 5.1888 5.5839 5.5839 5.6794 5.6794 5.8907 5.8907 k =-0.5000 0.4308 0.1963 ( 4410 PWs) bands (ev): -17.5094 -17.5094 -17.4976 -17.4976 -14.2153 -14.2153 -14.1945 -14.1945 -7.4958 -7.4958 -7.4590 -7.4590 -6.8089 -6.8089 -6.6828 -6.6828 -6.0670 -6.0670 -5.9637 -5.9637 -3.5260 -3.5260 -3.4839 -3.4839 -3.2221 -3.2221 -3.1511 -3.1511 -3.0534 -3.0534 -2.9165 -2.9165 5.1434 5.1434 5.6336 5.6336 5.6559 5.6559 5.9178 5.9178 k =-0.5000 0.4308 0.1840 ( 4406 PWs) bands (ev): -17.5105 -17.5105 -17.4965 -17.4965 -14.2172 -14.2172 -14.1925 -14.1925 -7.4988 -7.4988 -7.4552 -7.4552 -6.8200 -6.8200 -6.6702 -6.6702 -6.0773 -6.0773 -5.9546 -5.9546 -3.5309 -3.5309 -3.4824 -3.4824 -3.2344 -3.2344 -3.1736 -3.1736 -3.0355 -3.0355 -2.8949 -2.8949 5.0997 5.0997 5.6327 5.6327 5.6833 5.6833 5.9447 5.9447 k =-0.5000 0.4308 0.1717 ( 4398 PWs) bands (ev): -17.5115 -17.5115 -17.4954 -17.4954 -14.2191 -14.2191 -14.1906 -14.1906 -7.5017 -7.5017 -7.4514 -7.4514 -6.8307 -6.8307 -6.6579 -6.6579 -6.0873 -6.0873 -5.9460 -5.9460 -3.5355 -3.5355 -3.4817 -3.4817 -3.2454 -3.2454 -3.1955 -3.1955 -3.0180 -3.0180 -2.8742 -2.8742 5.0578 5.0578 5.6110 5.6110 5.7315 5.7315 5.9711 5.9711 k =-0.5000 0.4308 0.1595 ( 4398 PWs) bands (ev): -17.5126 -17.5126 -17.4944 -17.4944 -14.2209 -14.2209 -14.1888 -14.1888 -7.5044 -7.5044 -7.4477 -7.4477 -6.8408 -6.8408 -6.6461 -6.6461 -6.0970 -6.0970 -5.9379 -5.9379 -3.5400 -3.5400 -3.4818 -3.4818 -3.2549 -3.2549 -3.2164 -3.2164 -3.0010 -3.0010 -2.8544 -2.8544 5.0178 5.0178 5.5905 5.5905 5.7784 5.7784 5.9968 5.9968 k =-0.5000 0.4308 0.1472 ( 4392 PWs) bands (ev): -17.5135 -17.5135 -17.4934 -17.4934 -14.2226 -14.2226 -14.1871 -14.1871 -7.5069 -7.5069 -7.4441 -7.4441 -6.8504 -6.8504 -6.6347 -6.6347 -6.1063 -6.1063 -5.9304 -5.9304 -3.5442 -3.5442 -3.4829 -3.4829 -3.2628 -3.2628 -3.2365 -3.2365 -2.9847 -2.9847 -2.8357 -2.8357 4.9801 4.9801 5.5711 5.5711 5.8237 5.8237 6.0217 6.0217 k =-0.5000 0.4308 0.1349 ( 4392 PWs) bands (ev): -17.5144 -17.5144 -17.4924 -17.4924 -14.2242 -14.2242 -14.1854 -14.1854 -7.5092 -7.5092 -7.4407 -7.4407 -6.8593 -6.8593 -6.6238 -6.6238 -6.1151 -6.1151 -5.9233 -5.9233 -3.5481 -3.5481 -3.4848 -3.4848 -3.2695 -3.2695 -3.2553 -3.2553 -2.9691 -2.9691 -2.8180 -2.8180 4.9446 4.9446 5.5530 5.5530 5.8671 5.8671 6.0455 6.0455 k =-0.5000 0.4308 0.1227 ( 4400 PWs) bands (ev): -17.5153 -17.5153 -17.4916 -17.4916 -14.2257 -14.2257 -14.1839 -14.1839 -7.5113 -7.5113 -7.4375 -7.4375 -6.8676 -6.8676 -6.6136 -6.6136 -6.1234 -6.1234 -5.9168 -5.9168 -3.5518 -3.5518 -3.4873 -3.4873 -3.2761 -3.2761 -3.2717 -3.2717 -2.9545 -2.9545 -2.8016 -2.8016 4.9117 4.9117 5.5362 5.5362 5.9082 5.9082 6.0681 6.0681 k =-0.5000 0.4308 0.1104 ( 4402 PWs) bands (ev): -17.5161 -17.5161 -17.4908 -17.4908 -14.2270 -14.2270 -14.1825 -14.1825 -7.5132 -7.5132 -7.4345 -7.4345 -6.8751 -6.8751 -6.6042 -6.6042 -6.1310 -6.1310 -5.9109 -5.9109 -3.5551 -3.5551 -3.4904 -3.4904 -3.2904 -3.2904 -3.2779 -3.2779 -2.9410 -2.9410 -2.7865 -2.7865 4.8814 4.8814 5.5208 5.5208 5.9468 5.9468 6.0893 6.0893 k =-0.5000 0.4308 0.0981 ( 4408 PWs) bands (ev): -17.5168 -17.5168 -17.4901 -17.4901 -14.2283 -14.2283 -14.1812 -14.1812 -7.5149 -7.5149 -7.4317 -7.4317 -6.8820 -6.8820 -6.5954 -6.5954 -6.1381 -6.1381 -5.9056 -5.9056 -3.5581 -3.5581 -3.4938 -3.4938 -3.3052 -3.3052 -3.2810 -3.2810 -2.9285 -2.9285 -2.7728 -2.7728 4.8539 4.8539 5.5070 5.5070 5.9824 5.9824 6.1089 6.1089 k =-0.5000 0.4308 0.0859 ( 4402 PWs) bands (ev): -17.5174 -17.5174 -17.4894 -17.4894 -14.2294 -14.2294 -14.1800 -14.1800 -7.5165 -7.5165 -7.4292 -7.4292 -6.8881 -6.8881 -6.5876 -6.5876 -6.1444 -6.1444 -5.9009 -5.9009 -3.5608 -3.5608 -3.4974 -3.4974 -3.3187 -3.3187 -3.2831 -3.2831 -2.9173 -2.9173 -2.7605 -2.7605 4.8293 4.8293 5.4946 5.4946 6.0148 6.0148 6.1267 6.1267 k =-0.5000 0.4308 0.0736 ( 4406 PWs) bands (ev): -17.5180 -17.5180 -17.4889 -17.4889 -14.2303 -14.2303 -14.1790 -14.1790 -7.5178 -7.5178 -7.4270 -7.4270 -6.8935 -6.8935 -6.5806 -6.5806 -6.1500 -6.1500 -5.8968 -5.8968 -3.5631 -3.5631 -3.5009 -3.5009 -3.3307 -3.3307 -3.2845 -3.2845 -2.9074 -2.9074 -2.7498 -2.7498 4.8078 4.8078 5.4838 5.4838 6.0437 6.0437 6.1426 6.1426 k =-0.5000 0.4308 0.0613 ( 4414 PWs) bands (ev): -17.5185 -17.5185 -17.4884 -17.4884 -14.2312 -14.2312 -14.1782 -14.1782 -7.5189 -7.5189 -7.4251 -7.4251 -6.8981 -6.8981 -6.5746 -6.5746 -6.1548 -6.1548 -5.8933 -5.8933 -3.5651 -3.5651 -3.5042 -3.5042 -3.3409 -3.3409 -3.2855 -3.2855 -2.8989 -2.8989 -2.7406 -2.7406 4.7893 4.7893 5.4746 5.4746 6.0686 6.0686 6.1563 6.1563 k =-0.5000 0.4308 0.0491 ( 4416 PWs) bands (ev): -17.5189 -17.5189 -17.4880 -17.4880 -14.2319 -14.2319 -14.1775 -14.1775 -7.5198 -7.5198 -7.4235 -7.4235 -6.9018 -6.9018 -6.5696 -6.5696 -6.1588 -6.1588 -5.8905 -5.8905 -3.5668 -3.5668 -3.5070 -3.5070 -3.3494 -3.3494 -3.2860 -3.2860 -2.8918 -2.8918 -2.7330 -2.7330 4.7741 4.7741 5.4670 5.4670 6.0895 6.0895 6.1678 6.1678 k =-0.5000 0.4308 0.0368 ( 4418 PWs) bands (ev): -17.5192 -17.5192 -17.4877 -17.4877 -14.2324 -14.2324 -14.1769 -14.1769 -7.5205 -7.5205 -7.4222 -7.4222 -6.9048 -6.9048 -6.5657 -6.5657 -6.1619 -6.1619 -5.8882 -5.8882 -3.5680 -3.5680 -3.5094 -3.5094 -3.3560 -3.3560 -3.2863 -3.2863 -2.8862 -2.8862 -2.7270 -2.7270 4.7622 4.7622 5.4611 5.4611 6.1060 6.1060 6.1769 6.1769 k =-0.5000 0.4308 0.0245 ( 4418 PWs) bands (ev): -17.5194 -17.5194 -17.4874 -17.4874 -14.2328 -14.2328 -14.1765 -14.1765 -7.5210 -7.5210 -7.4213 -7.4213 -6.9069 -6.9069 -6.5629 -6.5629 -6.1642 -6.1642 -5.8866 -5.8866 -3.5689 -3.5689 -3.5112 -3.5112 -3.3608 -3.3608 -3.2865 -3.2865 -2.8822 -2.8822 -2.7228 -2.7228 4.7537 4.7537 5.4568 5.4568 6.1180 6.1180 6.1834 6.1834 k =-0.5000 0.4308 0.0123 ( 4420 PWs) bands (ev): -17.5196 -17.5196 -17.4873 -17.4873 -14.2331 -14.2331 -14.1763 -14.1763 -7.5213 -7.5213 -7.4208 -7.4208 -6.9081 -6.9081 -6.5612 -6.5612 -6.1655 -6.1655 -5.8857 -5.8857 -3.5695 -3.5695 -3.5123 -3.5123 -3.3637 -3.3637 -3.2865 -3.2865 -2.8798 -2.8798 -2.7202 -2.7202 4.7486 4.7486 5.4543 5.4543 6.1252 6.1252 6.1874 6.1874 k =-0.5000 0.4308 0.0000 ( 4426 PWs) bands (ev): -17.5196 -17.5196 -17.4873 -17.4873 -14.2331 -14.2331 -14.1762 -14.1762 -7.5214 -7.5214 -7.4206 -7.4206 -6.9086 -6.9086 -6.5606 -6.5606 -6.1660 -6.1660 -5.8854 -5.8854 -3.5696 -3.5696 -3.5126 -3.5126 -3.3647 -3.3647 -3.2865 -3.2865 -2.8790 -2.8790 -2.7194 -2.7194 4.7468 4.7468 5.4534 5.4534 6.1276 6.1276 6.1887 6.1887 k = 0.0000 0.0000 0.2576 ( 4404 PWs) bands (ev): -17.6062 -17.6062 -17.6062 -17.6062 -14.3185 -14.3185 -14.3185 -14.3185 -7.3165 -7.3165 -7.3165 -7.3165 -6.0235 -6.0235 -6.0235 -6.0235 -5.9937 -5.9937 -5.9937 -5.9937 -3.4549 -3.4549 -3.4549 -3.4549 -3.0499 -3.0499 -3.0499 -3.0499 -2.8936 -2.8936 -2.8936 -2.8936 4.9789 4.9789 4.9789 4.9789 5.2286 5.2286 5.2286 5.2286 k =-0.0096 0.0083 0.2576 ( 4400 PWs) bands (ev): -17.6061 -17.6061 -17.6061 -17.6061 -14.3184 -14.3184 -14.3184 -14.3184 -7.3167 -7.3167 -7.3167 -7.3167 -6.0248 -6.0248 -6.0242 -6.0242 -5.9938 -5.9938 -5.9933 -5.9933 -3.4549 -3.4549 -3.4548 -3.4548 -3.0502 -3.0502 -3.0498 -3.0498 -2.8937 -2.8937 -2.8933 -2.8933 4.9787 4.9787 4.9792 4.9792 5.2298 5.2298 5.2303 5.2303 k =-0.0192 0.0166 0.2576 ( 4404 PWs) bands (ev): -17.6058 -17.6058 -17.6058 -17.6058 -14.3182 -14.3182 -14.3182 -14.3182 -7.3172 -7.3172 -7.3172 -7.3172 -6.0278 -6.0278 -6.0268 -6.0268 -5.9936 -5.9936 -5.9926 -5.9926 -3.4551 -3.4551 -3.4549 -3.4549 -3.0509 -3.0509 -3.0501 -3.0501 -2.8934 -2.8934 -2.8926 -2.8926 4.9787 4.9787 4.9796 4.9796 5.2339 5.2339 5.2350 5.2350 k =-0.0288 0.0249 0.2576 ( 4400 PWs) bands (ev): -17.6053 -17.6053 -17.6053 -17.6053 -14.3177 -14.3177 -14.3177 -14.3177 -7.3181 -7.3181 -7.3181 -7.3181 -6.0325 -6.0325 -6.0312 -6.0312 -5.9931 -5.9931 -5.9918 -5.9918 -3.4553 -3.4553 -3.4550 -3.4550 -3.0519 -3.0519 -3.0508 -3.0508 -2.8927 -2.8927 -2.8916 -2.8916 4.9789 4.9789 4.9803 4.9803 5.2408 5.2408 5.2424 5.2424 k =-0.0385 0.0331 0.2576 ( 4412 PWs) bands (ev): -17.6047 -17.6047 -17.6047 -17.6047 -14.3171 -14.3171 -14.3171 -14.3171 -7.3193 -7.3193 -7.3193 -7.3193 -6.0387 -6.0387 -6.0372 -6.0372 -5.9927 -5.9927 -5.9912 -5.9912 -3.4556 -3.4556 -3.4552 -3.4552 -3.0533 -3.0533 -3.0518 -3.0518 -2.8918 -2.8918 -2.8904 -2.8904 4.9794 4.9794 4.9813 4.9813 5.2503 5.2503 5.2523 5.2523 k =-0.0481 0.0414 0.2576 ( 4400 PWs) bands (ev): -17.6038 -17.6038 -17.6038 -17.6038 -14.3162 -14.3162 -14.3162 -14.3162 -7.3209 -7.3209 -7.3208 -7.3208 -6.0460 -6.0460 -6.0445 -6.0445 -5.9923 -5.9923 -5.9907 -5.9907 -3.4560 -3.4560 -3.4555 -3.4555 -3.0550 -3.0550 -3.0531 -3.0531 -2.8906 -2.8906 -2.8888 -2.8888 4.9806 4.9806 4.9828 4.9828 5.2620 5.2620 5.2644 5.2644 k =-0.0577 0.0497 0.2576 ( 4396 PWs) bands (ev): -17.6028 -17.6028 -17.6028 -17.6028 -14.3152 -14.3152 -14.3152 -14.3152 -7.3228 -7.3228 -7.3227 -7.3227 -6.0547 -6.0547 -6.0531 -6.0531 -5.9922 -5.9922 -5.9905 -5.9905 -3.4565 -3.4565 -3.4558 -3.4558 -3.0570 -3.0570 -3.0548 -3.0548 -2.8890 -2.8890 -2.8869 -2.8869 4.9826 4.9826 4.9851 4.9851 5.2756 5.2756 5.2784 5.2784 k =-0.0673 0.0580 0.2576 ( 4406 PWs) bands (ev): -17.6015 -17.6015 -17.6015 -17.6015 -14.3141 -14.3141 -14.3141 -14.3141 -7.3250 -7.3250 -7.3249 -7.3249 -6.0645 -6.0645 -6.0629 -6.0629 -5.9923 -5.9923 -5.9906 -5.9906 -3.4570 -3.4570 -3.4563 -3.4563 -3.0594 -3.0594 -3.0568 -3.0568 -2.8873 -2.8873 -2.8849 -2.8849 4.9854 4.9854 4.9882 4.9882 5.2907 5.2907 5.2938 5.2938 k =-0.0769 0.0663 0.2576 ( 4410 PWs) bands (ev): -17.6002 -17.6002 -17.6002 -17.6002 -14.3128 -14.3128 -14.3128 -14.3128 -7.3275 -7.3275 -7.3274 -7.3274 -6.0754 -6.0754 -6.0738 -6.0738 -5.9926 -5.9926 -5.9909 -5.9909 -3.4576 -3.4576 -3.4567 -3.4567 -3.0621 -3.0621 -3.0593 -3.0593 -2.8852 -2.8852 -2.8826 -2.8826 4.9894 4.9894 4.9923 4.9923 5.3071 5.3071 5.3104 5.3104 k =-0.0865 0.0746 0.2576 ( 4398 PWs) bands (ev): -17.5986 -17.5986 -17.5986 -17.5986 -14.3112 -14.3112 -14.3112 -14.3112 -7.3304 -7.3304 -7.3302 -7.3302 -6.0874 -6.0874 -6.0859 -6.0859 -5.9930 -5.9930 -5.9914 -5.9914 -3.4582 -3.4582 -3.4573 -3.4573 -3.0652 -3.0652 -3.0621 -3.0621 -2.8829 -2.8829 -2.8801 -2.8801 4.9944 4.9944 4.9976 4.9976 5.3243 5.3243 5.3279 5.3279 k =-0.0962 0.0829 0.2576 ( 4390 PWs) bands (ev): -17.5968 -17.5968 -17.5968 -17.5968 -14.3096 -14.3096 -14.3096 -14.3096 -7.3335 -7.3335 -7.3333 -7.3333 -6.1005 -6.1005 -6.0989 -6.0989 -5.9937 -5.9937 -5.9921 -5.9921 -3.4590 -3.4590 -3.4580 -3.4580 -3.0687 -3.0687 -3.0654 -3.0654 -2.8805 -2.8805 -2.8774 -2.8774 5.0007 5.0007 5.0041 5.0041 5.3422 5.3422 5.3459 5.3459 k =-0.1058 0.0911 0.2576 ( 4386 PWs) bands (ev): -17.5950 -17.5950 -17.5950 -17.5950 -14.3077 -14.3077 -14.3077 -14.3077 -7.3369 -7.3369 -7.3367 -7.3367 -6.1145 -6.1145 -6.1130 -6.1130 -5.9945 -5.9945 -5.9929 -5.9929 -3.4598 -3.4598 -3.4587 -3.4587 -3.0725 -3.0725 -3.0690 -3.0690 -2.8778 -2.8778 -2.8745 -2.8745 5.0082 5.0082 5.0117 5.0117 5.3602 5.3602 5.3642 5.3642 k =-0.1154 0.0994 0.2576 ( 4384 PWs) bands (ev): -17.5929 -17.5929 -17.5929 -17.5929 -14.3057 -14.3057 -14.3057 -14.3057 -7.3405 -7.3405 -7.3404 -7.3404 -6.1294 -6.1294 -6.1280 -6.1280 -5.9954 -5.9954 -5.9939 -5.9939 -3.4606 -3.4606 -3.4594 -3.4594 -3.0768 -3.0768 -3.0731 -3.0731 -2.8750 -2.8750 -2.8716 -2.8716 5.0169 5.0169 5.0206 5.0206 5.3783 5.3783 5.3824 5.3824 k =-0.1250 0.1077 0.2576 ( 4372 PWs) bands (ev): -17.5907 -17.5907 -17.5907 -17.5907 -14.3036 -14.3036 -14.3036 -14.3036 -7.3444 -7.3444 -7.3443 -7.3443 -6.1453 -6.1453 -6.1439 -6.1439 -5.9964 -5.9964 -5.9950 -5.9950 -3.4615 -3.4615 -3.4603 -3.4603 -3.0815 -3.0815 -3.0776 -3.0776 -2.8721 -2.8721 -2.8686 -2.8686 5.0268 5.0268 5.0307 5.0307 5.3963 5.3963 5.4005 5.4005 k =-0.1346 0.1160 0.2576 ( 4380 PWs) bands (ev): -17.5884 -17.5884 -17.5884 -17.5884 -14.3013 -14.3013 -14.3013 -14.3013 -7.3486 -7.3486 -7.3484 -7.3484 -6.1620 -6.1620 -6.1606 -6.1606 -5.9975 -5.9975 -5.9962 -5.9962 -3.4624 -3.4624 -3.4611 -3.4611 -3.0866 -3.0866 -3.0826 -3.0826 -2.8692 -2.8692 -2.8655 -2.8655 5.0379 5.0379 5.0419 5.0419 5.4138 5.4138 5.4182 5.4182 k =-0.1442 0.1243 0.2576 ( 4380 PWs) bands (ev): -17.5860 -17.5860 -17.5860 -17.5860 -14.2989 -14.2989 -14.2989 -14.2989 -7.3529 -7.3529 -7.3527 -7.3527 -6.1794 -6.1794 -6.1781 -6.1781 -5.9987 -5.9987 -5.9974 -5.9974 -3.4634 -3.4634 -3.4620 -3.4620 -3.0922 -3.0922 -3.0880 -3.0880 -2.8662 -2.8662 -2.8624 -2.8624 5.0501 5.0501 5.0542 5.0542 5.4309 5.4309 5.4353 5.4353 k =-0.1538 0.1326 0.2576 ( 4372 PWs) bands (ev): -17.5835 -17.5835 -17.5834 -17.5834 -14.2963 -14.2963 -14.2963 -14.2963 -7.3575 -7.3575 -7.3573 -7.3573 -6.1975 -6.1975 -6.1962 -6.1962 -5.9999 -5.9999 -5.9986 -5.9986 -3.4643 -3.4643 -3.4629 -3.4629 -3.0981 -3.0981 -3.0939 -3.0939 -2.8633 -2.8633 -2.8594 -2.8594 5.0632 5.0632 5.0675 5.0675 5.4473 5.4473 5.4519 5.4519 k =-0.1635 0.1409 0.2576 ( 4368 PWs) bands (ev): -17.5808 -17.5808 -17.5808 -17.5808 -14.2937 -14.2937 -14.2936 -14.2936 -7.3622 -7.3622 -7.3619 -7.3619 -6.2162 -6.2162 -6.2150 -6.2150 -6.0010 -6.0010 -5.9998 -5.9998 -3.4653 -3.4653 -3.4637 -3.4637 -3.1045 -3.1045 -3.1001 -3.1001 -2.8604 -2.8604 -2.8565 -2.8565 5.0773 5.0773 5.0817 5.0817 5.4631 5.4631 5.4678 5.4678 k =-0.1731 0.1491 0.2576 ( 4366 PWs) bands (ev): -17.5781 -17.5781 -17.5780 -17.5780 -14.2909 -14.2909 -14.2908 -14.2908 -7.3670 -7.3670 -7.3668 -7.3668 -6.2355 -6.2355 -6.2343 -6.2343 -6.0022 -6.0022 -6.0011 -6.0011 -3.4662 -3.4662 -3.4646 -3.4646 -3.1112 -3.1112 -3.1068 -3.1068 -2.8577 -2.8577 -2.8537 -2.8537 5.0921 5.0921 5.0967 5.0967 5.4782 5.4782 5.4829 5.4829 k =-0.1827 0.1574 0.2576 ( 4374 PWs) bands (ev): -17.5752 -17.5752 -17.5752 -17.5752 -14.2879 -14.2879 -14.2879 -14.2879 -7.3720 -7.3720 -7.3718 -7.3718 -6.2553 -6.2553 -6.2541 -6.2541 -6.0034 -6.0034 -6.0023 -6.0023 -3.4670 -3.4670 -3.4654 -3.4654 -3.1184 -3.1184 -3.1138 -3.1138 -2.8552 -2.8552 -2.8511 -2.8511 5.1076 5.1076 5.1123 5.1123 5.4926 5.4926 5.4974 5.4974 k =-0.1923 0.1657 0.2576 ( 4380 PWs) bands (ev): -17.5723 -17.5723 -17.5723 -17.5723 -14.2849 -14.2849 -14.2849 -14.2849 -7.3771 -7.3771 -7.3768 -7.3768 -6.2754 -6.2754 -6.2743 -6.2743 -6.0046 -6.0046 -6.0035 -6.0035 -3.4678 -3.4678 -3.4661 -3.4661 -3.1258 -3.1258 -3.1212 -3.1212 -2.8528 -2.8528 -2.8487 -2.8487 5.1235 5.1235 5.1283 5.1283 5.5063 5.5063 5.5112 5.5112 k =-0.2019 0.1740 0.2576 ( 4388 PWs) bands (ev): -17.5694 -17.5694 -17.5694 -17.5694 -14.2818 -14.2818 -14.2818 -14.2818 -7.3823 -7.3823 -7.3820 -7.3820 -6.2960 -6.2960 -6.2949 -6.2949 -6.0057 -6.0057 -6.0046 -6.0046 -3.4685 -3.4685 -3.4668 -3.4668 -3.1336 -3.1336 -3.1289 -3.1289 -2.8508 -2.8508 -2.8467 -2.8467 5.1398 5.1398 5.1448 5.1448 5.5195 5.5195 5.5244 5.5244 k =-0.2115 0.1823 0.2576 ( 4392 PWs) bands (ev): -17.5664 -17.5664 -17.5664 -17.5664 -14.2787 -14.2787 -14.2787 -14.2787 -7.3874 -7.3874 -7.3872 -7.3872 -6.3167 -6.3167 -6.3157 -6.3157 -6.0067 -6.0067 -6.0057 -6.0057 -3.4691 -3.4691 -3.4674 -3.4674 -3.1416 -3.1416 -3.1368 -3.1368 -2.8492 -2.8492 -2.8450 -2.8450 5.1563 5.1563 5.1614 5.1614 5.5320 5.5320 5.5371 5.5371 k =-0.2212 0.1906 0.2576 ( 4388 PWs) bands (ev): -17.5633 -17.5633 -17.5633 -17.5633 -14.2754 -14.2754 -14.2754 -14.2754 -7.3927 -7.3927 -7.3924 -7.3924 -6.3377 -6.3377 -6.3367 -6.3367 -6.0077 -6.0077 -6.0067 -6.0067 -3.4696 -3.4696 -3.4679 -3.4679 -3.1497 -3.1497 -3.1450 -3.1450 -2.8479 -2.8479 -2.8437 -2.8437 5.1728 5.1728 5.1780 5.1780 5.5442 5.5442 5.5493 5.5493 k =-0.2308 0.1989 0.2576 ( 4386 PWs) bands (ev): -17.5602 -17.5602 -17.5602 -17.5602 -14.2721 -14.2721 -14.2721 -14.2721 -7.3979 -7.3979 -7.3976 -7.3976 -6.3588 -6.3588 -6.3578 -6.3578 -6.0086 -6.0086 -6.0077 -6.0077 -3.4700 -3.4700 -3.4682 -3.4682 -3.1580 -3.1580 -3.1532 -3.1532 -2.8471 -2.8471 -2.8429 -2.8429 5.1892 5.1892 5.1945 5.1945 5.5559 5.5559 5.5611 5.5611 k =-0.2404 0.2071 0.2576 ( 4390 PWs) bands (ev): -17.5571 -17.5571 -17.5571 -17.5571 -14.2687 -14.2687 -14.2687 -14.2687 -7.4031 -7.4031 -7.4028 -7.4028 -6.3800 -6.3800 -6.3790 -6.3790 -6.0095 -6.0095 -6.0086 -6.0086 -3.4703 -3.4703 -3.4685 -3.4685 -3.1663 -3.1663 -3.1614 -3.1614 -2.8468 -2.8468 -2.8426 -2.8426 5.2053 5.2053 5.2107 5.2107 5.5673 5.5673 5.5725 5.5725 k =-0.2500 0.2154 0.2576 ( 4386 PWs) bands (ev): -17.5540 -17.5540 -17.5540 -17.5540 -14.2653 -14.2653 -14.2653 -14.2653 -7.4083 -7.4083 -7.4079 -7.4079 -6.4011 -6.4011 -6.4002 -6.4002 -6.0102 -6.0102 -6.0094 -6.0094 -3.4705 -3.4705 -3.4687 -3.4687 -3.1745 -3.1745 -3.1696 -3.1696 -2.8470 -2.8470 -2.8428 -2.8428 5.2210 5.2210 5.2265 5.2265 5.5785 5.5785 5.5838 5.5838 k =-0.2596 0.2237 0.2576 ( 4392 PWs) bands (ev): -17.5509 -17.5509 -17.5509 -17.5509 -14.2619 -14.2619 -14.2619 -14.2619 -7.4133 -7.4133 -7.4130 -7.4130 -6.4222 -6.4222 -6.4213 -6.4213 -6.0109 -6.0109 -6.0101 -6.0101 -3.4706 -3.4706 -3.4688 -3.4688 -3.1826 -3.1826 -3.1777 -3.1777 -2.8479 -2.8479 -2.8437 -2.8437 5.2361 5.2361 5.2417 5.2417 5.5896 5.5896 5.5949 5.5949 k =-0.2692 0.2320 0.2576 ( 4386 PWs) bands (ev): -17.5478 -17.5478 -17.5478 -17.5478 -14.2584 -14.2584 -14.2584 -14.2584 -7.4183 -7.4183 -7.4180 -7.4180 -6.4431 -6.4431 -6.4422 -6.4422 -6.0115 -6.0115 -6.0107 -6.0107 -3.4706 -3.4706 -3.4688 -3.4688 -3.1905 -3.1905 -3.1855 -3.1855 -2.8493 -2.8493 -2.8451 -2.8451 5.2506 5.2506 5.2562 5.2562 5.6006 5.6006 5.6059 5.6059 k =-0.2788 0.2403 0.2576 ( 4386 PWs) bands (ev): -17.5448 -17.5448 -17.5448 -17.5448 -14.2550 -14.2550 -14.2550 -14.2550 -7.4232 -7.4232 -7.4229 -7.4229 -6.4638 -6.4638 -6.4629 -6.4629 -6.0120 -6.0120 -6.0113 -6.0113 -3.4706 -3.4706 -3.4688 -3.4688 -3.1979 -3.1979 -3.1930 -3.1930 -2.8515 -2.8515 -2.8473 -2.8473 5.2643 5.2643 5.2699 5.2699 5.6115 5.6115 5.6168 5.6168 k =-0.2885 0.2486 0.2576 ( 4374 PWs) bands (ev): -17.5418 -17.5418 -17.5417 -17.5417 -14.2515 -14.2515 -14.2515 -14.2515 -7.4279 -7.4279 -7.4276 -7.4276 -6.4842 -6.4842 -6.4834 -6.4834 -6.0124 -6.0124 -6.0117 -6.0117 -3.4706 -3.4706 -3.4688 -3.4688 -3.2049 -3.2049 -3.1999 -3.1999 -2.8544 -2.8544 -2.8502 -2.8502 5.2771 5.2771 5.2827 5.2827 5.6224 5.6224 5.6277 5.6277 k =-0.2981 0.2568 0.2576 ( 4382 PWs) bands (ev): -17.5388 -17.5388 -17.5388 -17.5388 -14.2481 -14.2481 -14.2481 -14.2481 -7.4325 -7.4325 -7.4322 -7.4322 -6.5043 -6.5043 -6.5035 -6.5035 -6.0128 -6.0128 -6.0122 -6.0122 -3.4706 -3.4706 -3.4689 -3.4689 -3.2113 -3.2113 -3.2063 -3.2063 -2.8579 -2.8579 -2.8538 -2.8538 5.2891 5.2891 5.2946 5.2946 5.6334 5.6334 5.6386 5.6386 k =-0.3077 0.2651 0.2576 ( 4390 PWs) bands (ev): -17.5359 -17.5359 -17.5359 -17.5359 -14.2448 -14.2448 -14.2448 -14.2448 -7.4369 -7.4369 -7.4366 -7.4366 -6.5240 -6.5240 -6.5232 -6.5232 -6.0132 -6.0132 -6.0125 -6.0125 -3.4707 -3.4707 -3.4691 -3.4691 -3.2170 -3.2170 -3.2120 -3.2120 -2.8623 -2.8623 -2.8581 -2.8581 5.3001 5.3001 5.3055 5.3055 5.6443 5.6443 5.6494 5.6494 k =-0.3173 0.2734 0.2576 ( 4398 PWs) bands (ev): -17.5331 -17.5331 -17.5331 -17.5331 -14.2415 -14.2415 -14.2415 -14.2415 -7.4411 -7.4411 -7.4408 -7.4408 -6.5433 -6.5433 -6.5425 -6.5425 -6.0134 -6.0134 -6.0128 -6.0128 -3.4710 -3.4710 -3.4694 -3.4694 -3.2218 -3.2218 -3.2168 -3.2168 -2.8674 -2.8674 -2.8632 -2.8632 5.3101 5.3101 5.3154 5.3154 5.6552 5.6552 5.6602 5.6602 k =-0.3269 0.2817 0.2576 ( 4404 PWs) bands (ev): -17.5303 -17.5303 -17.5303 -17.5303 -14.2382 -14.2382 -14.2382 -14.2382 -7.4452 -7.4452 -7.4448 -7.4448 -6.5620 -6.5620 -6.5612 -6.5612 -6.0136 -6.0136 -6.0131 -6.0131 -3.4715 -3.4715 -3.4700 -3.4700 -3.2256 -3.2256 -3.2206 -3.2206 -2.8732 -2.8732 -2.8691 -2.8691 5.3193 5.3193 5.3244 5.3244 5.6661 5.6661 5.6709 5.6709 k =-0.3365 0.2900 0.2576 ( 4400 PWs) bands (ev): -17.5276 -17.5276 -17.5276 -17.5276 -14.2350 -14.2350 -14.2350 -14.2350 -7.4489 -7.4489 -7.4486 -7.4486 -6.5801 -6.5801 -6.5794 -6.5794 -6.0138 -6.0138 -6.0133 -6.0133 -3.4723 -3.4723 -3.4708 -3.4708 -3.2283 -3.2283 -3.2234 -3.2234 -2.8797 -2.8797 -2.8756 -2.8756 5.3276 5.3276 5.3325 5.3325 5.6768 5.6768 5.6814 5.6814 k =-0.3462 0.2983 0.2576 ( 4412 PWs) bands (ev): -17.5251 -17.5251 -17.5251 -17.5251 -14.2320 -14.2320 -14.2320 -14.2320 -7.4525 -7.4525 -7.4522 -7.4522 -6.5976 -6.5976 -6.5969 -6.5969 -6.0139 -6.0139 -6.0134 -6.0134 -3.4733 -3.4733 -3.4719 -3.4719 -3.2299 -3.2299 -3.2250 -3.2250 -2.8870 -2.8870 -2.8829 -2.8829 5.3350 5.3350 5.3398 5.3398 5.6873 5.6873 5.6917 5.6917 k =-0.3558 0.3066 0.2576 ( 4414 PWs) bands (ev): -17.5226 -17.5226 -17.5226 -17.5226 -14.2290 -14.2290 -14.2290 -14.2290 -7.4559 -7.4559 -7.4556 -7.4556 -6.6143 -6.6143 -6.6137 -6.6137 -6.0140 -6.0140 -6.0136 -6.0136 -3.4746 -3.4746 -3.4733 -3.4733 -3.2303 -3.2303 -3.2254 -3.2254 -2.8950 -2.8950 -2.8910 -2.8910 5.3417 5.3417 5.3462 5.3462 5.6975 5.6975 5.7017 5.7017 k =-0.3654 0.3148 0.2576 ( 4416 PWs) bands (ev): -17.5203 -17.5203 -17.5203 -17.5203 -14.2262 -14.2262 -14.2262 -14.2262 -7.4589 -7.4589 -7.4587 -7.4587 -6.6303 -6.6303 -6.6297 -6.6297 -6.0141 -6.0141 -6.0136 -6.0136 -3.4763 -3.4763 -3.4751 -3.4751 -3.2294 -3.2294 -3.2246 -3.2246 -2.9037 -2.9037 -2.8996 -2.8996 5.3477 5.3477 5.3519 5.3519 5.7074 5.7074 5.7113 5.7113 k =-0.3750 0.3231 0.2576 ( 4428 PWs) bands (ev): -17.5181 -17.5181 -17.5181 -17.5181 -14.2235 -14.2235 -14.2235 -14.2235 -7.4618 -7.4618 -7.4615 -7.4615 -6.6456 -6.6456 -6.6450 -6.6450 -6.0141 -6.0141 -6.0137 -6.0137 -3.4782 -3.4782 -3.4771 -3.4771 -3.2273 -3.2273 -3.2225 -3.2225 -2.9130 -2.9130 -2.9090 -2.9090 5.3529 5.3529 5.3569 5.3569 5.7168 5.7168 5.7206 5.7206 k =-0.3846 0.3314 0.2576 ( 4424 PWs) bands (ev): -17.5160 -17.5160 -17.5160 -17.5160 -14.2209 -14.2209 -14.2209 -14.2209 -7.4644 -7.4644 -7.4642 -7.4642 -6.6599 -6.6599 -6.6593 -6.6593 -6.0141 -6.0141 -6.0137 -6.0137 -3.4803 -3.4803 -3.4793 -3.4793 -3.2239 -3.2239 -3.2192 -3.2192 -2.9228 -2.9228 -2.9188 -2.9188 5.3576 5.3576 5.3614 5.3614 5.7258 5.7258 5.7293 5.7293 k =-0.3942 0.3397 0.2576 ( 4424 PWs) bands (ev): -17.5141 -17.5141 -17.5141 -17.5141 -14.2185 -14.2185 -14.2185 -14.2185 -7.4668 -7.4668 -7.4665 -7.4665 -6.6733 -6.6733 -6.6728 -6.6728 -6.0141 -6.0141 -6.0138 -6.0138 -3.4827 -3.4827 -3.4818 -3.4818 -3.2193 -3.2193 -3.2148 -3.2148 -2.9332 -2.9332 -2.9292 -2.9292 5.3618 5.3618 5.3652 5.3652 5.7343 5.7343 5.7375 5.7375 k =-0.4038 0.3480 0.2576 ( 4420 PWs) bands (ev): -17.5123 -17.5123 -17.5123 -17.5123 -14.2162 -14.2162 -14.2162 -14.2162 -7.4689 -7.4689 -7.4687 -7.4687 -6.6857 -6.6857 -6.6852 -6.6852 -6.0141 -6.0141 -6.0138 -6.0138 -3.4852 -3.4852 -3.4844 -3.4844 -3.2137 -3.2137 -3.2093 -3.2093 -2.9440 -2.9440 -2.9401 -2.9401 5.3654 5.3654 5.3686 5.3686 5.7422 5.7422 5.7451 5.7451 k =-0.4135 0.3563 0.2576 ( 4416 PWs) bands (ev): -17.5107 -17.5107 -17.5107 -17.5107 -14.2141 -14.2141 -14.2141 -14.2141 -7.4708 -7.4708 -7.4706 -7.4706 -6.6971 -6.6971 -6.6967 -6.6967 -6.0141 -6.0141 -6.0138 -6.0138 -3.4877 -3.4877 -3.4870 -3.4870 -3.2071 -3.2071 -3.2028 -3.2028 -2.9551 -2.9551 -2.9513 -2.9513 5.3687 5.3687 5.3715 5.3715 5.7494 5.7494 5.7520 5.7520 k =-0.4231 0.3646 0.2576 ( 4416 PWs) bands (ev): -17.5092 -17.5092 -17.5092 -17.5092 -14.2123 -14.2123 -14.2123 -14.2123 -7.4724 -7.4724 -7.4723 -7.4723 -6.7075 -6.7075 -6.7071 -6.7071 -6.0140 -6.0140 -6.0138 -6.0138 -3.4902 -3.4902 -3.4895 -3.4895 -3.1997 -3.1997 -3.1955 -3.1955 -2.9665 -2.9665 -2.9627 -2.9627 5.3715 5.3715 5.3740 5.3740 5.7560 5.7560 5.7583 5.7583 k =-0.4327 0.3728 0.2576 ( 4408 PWs) bands (ev): -17.5079 -17.5079 -17.5079 -17.5079 -14.2106 -14.2106 -14.2106 -14.2106 -7.4739 -7.4739 -7.4737 -7.4737 -6.7167 -6.7167 -6.7164 -6.7164 -6.0140 -6.0140 -6.0138 -6.0138 -3.4925 -3.4925 -3.4920 -3.4920 -3.1917 -3.1917 -3.1876 -3.1876 -2.9779 -2.9779 -2.9743 -2.9743 5.3739 5.3739 5.3761 5.3761 5.7618 5.7618 5.7639 5.7639 k =-0.4423 0.3811 0.2576 ( 4404 PWs) bands (ev): -17.5067 -17.5067 -17.5067 -17.5067 -14.2091 -14.2091 -14.2091 -14.2091 -7.4751 -7.4751 -7.4750 -7.4750 -6.7248 -6.7248 -6.7245 -6.7245 -6.0139 -6.0139 -6.0137 -6.0137 -3.4948 -3.4948 -3.4943 -3.4943 -3.1831 -3.1831 -3.1793 -3.1793 -2.9892 -2.9892 -2.9857 -2.9857 5.3760 5.3760 5.3779 5.3779 5.7670 5.7670 5.7688 5.7688 k =-0.4519 0.3894 0.2576 ( 4404 PWs) bands (ev): -17.5057 -17.5057 -17.5057 -17.5057 -14.2078 -14.2078 -14.2078 -14.2078 -7.4761 -7.4761 -7.4760 -7.4760 -6.7317 -6.7317 -6.7314 -6.7314 -6.0139 -6.0139 -6.0137 -6.0137 -3.4967 -3.4967 -3.4964 -3.4964 -3.1744 -3.1744 -3.1708 -3.1708 -3.0002 -3.0002 -2.9969 -2.9969 5.3777 5.3777 5.3794 5.3794 5.7714 5.7714 5.7729 5.7729 k =-0.4615 0.3977 0.2576 ( 4402 PWs) bands (ev): -17.5049 -17.5049 -17.5049 -17.5049 -14.2068 -14.2068 -14.2068 -14.2068 -7.4770 -7.4770 -7.4769 -7.4769 -6.7374 -6.7374 -6.7372 -6.7372 -6.0138 -6.0138 -6.0137 -6.0137 -3.4984 -3.4984 -3.4981 -3.4981 -3.1658 -3.1658 -3.1626 -3.1626 -3.0105 -3.0105 -3.0075 -3.0075 5.3792 5.3792 5.3805 5.3805 5.7750 5.7750 5.7762 5.7762 k =-0.4712 0.4060 0.2576 ( 4406 PWs) bands (ev): -17.5043 -17.5043 -17.5043 -17.5043 -14.2060 -14.2060 -14.2060 -14.2060 -7.4776 -7.4776 -7.4775 -7.4775 -6.7418 -6.7418 -6.7417 -6.7417 -6.0138 -6.0138 -6.0137 -6.0137 -3.4998 -3.4998 -3.4996 -3.4996 -3.1578 -3.1578 -3.1551 -3.1551 -3.0195 -3.0195 -3.0170 -3.0170 5.3803 5.3803 5.3813 5.3813 5.7779 5.7779 5.7788 5.7788 k =-0.4808 0.4143 0.2576 ( 4414 PWs) bands (ev): -17.5038 -17.5038 -17.5038 -17.5038 -14.2054 -14.2054 -14.2054 -14.2054 -7.4780 -7.4780 -7.4780 -7.4780 -6.7450 -6.7450 -6.7449 -6.7449 -6.0138 -6.0138 -6.0137 -6.0137 -3.5008 -3.5008 -3.5006 -3.5006 -3.1511 -3.1511 -3.1490 -3.1490 -3.0267 -3.0267 -3.0248 -3.0248 5.3812 5.3812 5.3819 5.3819 5.7800 5.7800 5.7806 5.7806 k =-0.4904 0.4226 0.2576 ( 4420 PWs) bands (ev): -17.5036 -17.5036 -17.5036 -17.5036 -14.2051 -14.2051 -14.2051 -14.2051 -7.4783 -7.4783 -7.4783 -7.4783 -6.7469 -6.7469 -6.7469 -6.7469 -6.0138 -6.0138 -6.0137 -6.0137 -3.5013 -3.5013 -3.5013 -3.5013 -3.1463 -3.1463 -3.1452 -3.1452 -3.0313 -3.0313 -3.0302 -3.0302 5.3818 5.3818 5.3821 5.3821 5.7813 5.7813 5.7816 5.7816 k =-0.5000 0.4308 0.2576 ( 4412 PWs) bands (ev): -17.5035 -17.5035 -17.5035 -17.5035 -14.2049 -14.2049 -14.2049 -14.2049 -7.4784 -7.4784 -7.4784 -7.4784 -6.7475 -6.7475 -6.7475 -6.7475 -6.0137 -6.0137 -6.0137 -6.0137 -3.5015 -3.5015 -3.5015 -3.5015 -3.1442 -3.1442 -3.1442 -3.1442 -3.0325 -3.0325 -3.0325 -3.0325 5.3821 5.3821 5.3821 5.3821 5.7818 5.7818 5.7818 5.7818 Writing output data file H3C2N.save init_run : 0.52s CPU 0.36s WALL ( 1 calls) electrons : 251.41s CPU 142.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.16s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 251.40s CPU 142.74s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.37s WALL ( 392 calls) cegterg : 221.66s CPU 124.77s WALL ( 392 calls) Called by sum_band: Called by *egterg: h_psi : 139.09s CPU 77.29s WALL ( 6501 calls) s_psi : 5.75s CPU 3.02s WALL ( 6501 calls) g_psi : 0.38s CPU 0.21s WALL ( 5717 calls) cdiaghg : 74.42s CPU 42.80s WALL ( 6109 calls) cegterg:over : 10.37s CPU 5.77s WALL ( 5717 calls) cegterg:upda : 8.04s CPU 4.65s WALL ( 5717 calls) cegterg:last : 4.80s CPU 2.63s WALL ( 1176 calls) cdiaghg:chol : 4.17s CPU 2.33s WALL ( 6109 calls) cdiaghg:inve : 2.15s CPU 1.17s WALL ( 6109 calls) cdiaghg:para : 3.81s CPU 2.35s WALL ( 12218 calls) Called by h_psi: h_psi:vloc : 124.32s CPU 69.31s WALL ( 6501 calls) h_psi:vnl : 14.39s CPU 7.78s WALL ( 6501 calls) add_vuspsi : 6.84s CPU 3.55s WALL ( 6501 calls) General routines calbec : 7.51s CPU 4.20s WALL ( 6501 calls) fft : 0.06s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 116.21s CPU 64.78s WALL ( 645828 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.60s CPU 0.95s WALL ( 784 calls) Parallel routines fft_scatter : 52.20s CPU 29.47s WALL ( 645851 calls) PWSCF : 4m26.85s CPU 2m50.20s WALL This run was terminated on: 4: 9:19 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=