Program PWSCF v.5.4.0 starts on 11Feb2017 at 14:56:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & 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: ./BH5NCl.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized 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 51 28 8 3051 1288 204 Max 52 29 10 3056 1315 211 Sum 1841 1043 299 109909 46837 7371 bravais-lattice index = 14 lattice parameter (alat) = 8.4523 a.u. unit-cell volume = 1110.9623 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.452349 celldm(2)= 1.000000 celldm(3)= 1.853876 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.123060 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.123060 0.992399 0.000000 ) a(3) = ( 0.000000 0.000000 1.853876 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.124003 -0.000000 ) b(2) = ( 0.000000 1.007659 -0.000000 ) b(3) = ( 0.000000 0.000000 0.539410 ) 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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. # 4 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) Cl 7.00 35.45300 Cl( 1.00) B 3.00 10.81100 B( 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 ) ( 0.9269381 ) 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= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0092753 0.0104964 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0185505 0.0209929 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0278257 0.0314893 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0371010 0.0419858 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0463763 0.0524822 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0556515 0.0629787 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0649268 0.0734751 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0742020 0.0839716 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0834773 0.0944680 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0927525 0.1049645 -0.0000000), wk = 0.0028249 k( 12) = ( 0.1020278 0.1154609 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1113030 0.1259574 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1205782 0.1364538 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1298535 0.1469503 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1391287 0.1574467 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1484040 0.1679432 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1576792 0.1784396 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1669545 0.1889361 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1762297 0.1994325 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1855050 0.2099290 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1947802 0.2204254 -0.0000000), wk = 0.0028249 k( 23) = ( 0.2040555 0.2309219 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2133308 0.2414183 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2226060 0.2519148 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2318813 0.2624112 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2411565 0.2729077 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2504318 0.2834041 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2597070 0.2939005 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2689822 0.3043970 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2782575 0.3148934 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2875328 0.3253899 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2968080 0.3358863 -0.0000000), wk = 0.0028249 k( 34) = ( 0.3060832 0.3463828 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3153585 0.3568792 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3246337 0.3673757 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3339090 0.3778721 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3431843 0.3883686 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3524595 0.3988650 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3617347 0.4093615 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3710100 0.4198579 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3802853 0.4303544 -0.0000000), wk = 0.0028249 k( 43) = ( 0.3895605 0.4408508 -0.0000000), wk = 0.0028249 k( 44) = ( 0.3988358 0.4513473 -0.0000000), wk = 0.0028249 k( 45) = ( 0.4081110 0.4618437 -0.0000000), wk = 0.0028249 k( 46) = ( 0.4173863 0.4723402 -0.0000000), wk = 0.0028249 k( 47) = ( 0.4266615 0.4828366 -0.0000000), wk = 0.0028249 k( 48) = ( 0.4359368 0.4933331 -0.0000000), wk = 0.0028249 k( 49) = ( 0.4452120 0.5038295 -0.0000000), wk = 0.0028249 k( 50) = ( 0.4452120 0.5038295 -0.0000000), wk = 0.0028249 k( 51) = ( 0.4312991 0.5038295 -0.0000000), wk = 0.0028249 k( 52) = ( 0.4173863 0.5038295 -0.0000000), wk = 0.0028249 k( 53) = ( 0.4034734 0.5038295 -0.0000000), wk = 0.0028249 k( 54) = ( 0.3895605 0.5038295 -0.0000000), wk = 0.0028249 k( 55) = ( 0.3756476 0.5038295 -0.0000000), wk = 0.0028249 k( 56) = ( 0.3617347 0.5038295 -0.0000000), wk = 0.0028249 k( 57) = ( 0.3478219 0.5038295 -0.0000000), wk = 0.0028249 k( 58) = ( 0.3339090 0.5038295 -0.0000000), wk = 0.0028249 k( 59) = ( 0.3199961 0.5038295 -0.0000000), wk = 0.0028249 k( 60) = ( 0.3060832 0.5038295 -0.0000000), wk = 0.0028249 k( 61) = ( 0.2921704 0.5038295 -0.0000000), wk = 0.0028249 k( 62) = ( 0.2782575 0.5038295 -0.0000000), wk = 0.0028249 k( 63) = ( 0.2643446 0.5038295 -0.0000000), wk = 0.0028249 k( 64) = ( 0.2504318 0.5038295 -0.0000000), wk = 0.0028249 k( 65) = ( 0.2365189 0.5038295 -0.0000000), wk = 0.0028249 k( 66) = ( 0.2226060 0.5038295 -0.0000000), wk = 0.0028249 k( 67) = ( 0.2086931 0.5038295 -0.0000000), wk = 0.0028249 k( 68) = ( 0.1947802 0.5038295 -0.0000000), wk = 0.0028249 k( 69) = ( 0.1808674 0.5038295 -0.0000000), wk = 0.0028249 k( 70) = ( 0.1669545 0.5038295 -0.0000000), wk = 0.0028249 k( 71) = ( 0.1530416 0.5038295 -0.0000000), wk = 0.0028249 k( 72) = ( 0.1391287 0.5038295 -0.0000000), wk = 0.0028249 k( 73) = ( 0.1252159 0.5038295 -0.0000000), wk = 0.0028249 k( 74) = ( 0.1113030 0.5038295 -0.0000000), wk = 0.0028249 k( 75) = ( 0.0973901 0.5038295 -0.0000000), wk = 0.0028249 k( 76) = ( 0.0834773 0.5038295 -0.0000000), wk = 0.0028249 k( 77) = ( 0.0695644 0.5038295 -0.0000000), wk = 0.0028249 k( 78) = ( 0.0556515 0.5038295 -0.0000000), wk = 0.0028249 k( 79) = ( 0.0417386 0.5038295 -0.0000000), wk = 0.0028249 k( 80) = ( 0.0278257 0.5038295 -0.0000000), wk = 0.0028249 k( 81) = ( 0.0139129 0.5038295 -0.0000000), wk = 0.0028249 k( 82) = ( 0.0000000 0.5038295 -0.0000000), wk = 0.0028249 k( 83) = ( 0.0000000 0.5038295 -0.0000000), wk = 0.0028249 k( 84) = ( 0.0000000 0.5038295 0.0141950), wk = 0.0028249 k( 85) = ( 0.0000000 0.5038295 0.0283900), wk = 0.0028249 k( 86) = ( 0.0000000 0.5038295 0.0425850), wk = 0.0028249 k( 87) = ( 0.0000000 0.5038295 0.0567800), wk = 0.0028249 k( 88) = ( 0.0000000 0.5038295 0.0709750), wk = 0.0028249 k( 89) = ( 0.0000000 0.5038295 0.0851701), wk = 0.0028249 k( 90) = ( 0.0000000 0.5038295 0.0993651), wk = 0.0028249 k( 91) = ( 0.0000000 0.5038295 0.1135601), wk = 0.0028249 k( 92) = ( 0.0000000 0.5038295 0.1277551), wk = 0.0028249 k( 93) = ( 0.0000000 0.5038295 0.1419501), wk = 0.0028249 k( 94) = ( 0.0000000 0.5038295 0.1561451), wk = 0.0028249 k( 95) = ( 0.0000000 0.5038295 0.1703401), wk = 0.0028249 k( 96) = ( 0.0000000 0.5038295 0.1845351), wk = 0.0028249 k( 97) = ( 0.0000000 0.5038295 0.1987301), wk = 0.0028249 k( 98) = ( 0.0000000 0.5038295 0.2129251), wk = 0.0028249 k( 99) = ( 0.0000000 0.5038295 0.2271201), wk = 0.0028249 k( 100) = ( 0.0000000 0.5038295 0.2413152), wk = 0.0028249 k( 101) = ( 0.0000000 0.5038295 0.2555102), wk = 0.0028249 k( 102) = ( 0.0000000 0.5038295 0.2697052), wk = 0.0028249 k( 103) = ( 0.0000000 0.5038295 0.2697052), wk = 0.0028249 k( 104) = ( 0.0139129 0.5038295 0.2697052), wk = 0.0028249 k( 105) = ( 0.0278257 0.5038295 0.2697052), wk = 0.0028249 k( 106) = ( 0.0417386 0.5038295 0.2697052), wk = 0.0028249 k( 107) = ( 0.0556515 0.5038295 0.2697052), wk = 0.0028249 k( 108) = ( 0.0695644 0.5038295 0.2697052), wk = 0.0028249 k( 109) = ( 0.0834773 0.5038295 0.2697052), wk = 0.0028249 k( 110) = ( 0.0973901 0.5038295 0.2697052), wk = 0.0028249 k( 111) = ( 0.1113030 0.5038295 0.2697052), wk = 0.0028249 k( 112) = ( 0.1252159 0.5038295 0.2697052), wk = 0.0028249 k( 113) = ( 0.1391287 0.5038295 0.2697052), wk = 0.0028249 k( 114) = ( 0.1530416 0.5038295 0.2697052), wk = 0.0028249 k( 115) = ( 0.1669545 0.5038295 0.2697052), wk = 0.0028249 k( 116) = ( 0.1808674 0.5038295 0.2697052), wk = 0.0028249 k( 117) = ( 0.1947802 0.5038295 0.2697052), wk = 0.0028249 k( 118) = ( 0.2086931 0.5038295 0.2697052), wk = 0.0028249 k( 119) = ( 0.2226060 0.5038295 0.2697052), wk = 0.0028249 k( 120) = ( 0.2365189 0.5038295 0.2697052), wk = 0.0028249 k( 121) = ( 0.2504318 0.5038295 0.2697052), wk = 0.0028249 k( 122) = ( 0.2643446 0.5038295 0.2697052), wk = 0.0028249 k( 123) = ( 0.2782575 0.5038295 0.2697052), wk = 0.0028249 k( 124) = ( 0.2921704 0.5038295 0.2697052), wk = 0.0028249 k( 125) = ( 0.3060832 0.5038295 0.2697052), wk = 0.0028249 k( 126) = ( 0.3199961 0.5038295 0.2697052), wk = 0.0028249 k( 127) = ( 0.3339090 0.5038295 0.2697052), wk = 0.0028249 k( 128) = ( 0.3478219 0.5038295 0.2697052), wk = 0.0028249 k( 129) = ( 0.3617347 0.5038295 0.2697052), wk = 0.0028249 k( 130) = ( 0.3756476 0.5038295 0.2697052), wk = 0.0028249 k( 131) = ( 0.3895605 0.5038295 0.2697052), wk = 0.0028249 k( 132) = ( 0.4034734 0.5038295 0.2697052), wk = 0.0028249 k( 133) = ( 0.4173863 0.5038295 0.2697052), wk = 0.0028249 k( 134) = ( 0.4312991 0.5038295 0.2697052), wk = 0.0028249 k( 135) = ( 0.4452120 0.5038295 0.2697052), wk = 0.0028249 k( 136) = ( 0.4452120 0.5038295 0.2697052), wk = 0.0028249 k( 137) = ( 0.4359368 0.4933331 0.2697052), wk = 0.0028249 k( 138) = ( 0.4266615 0.4828366 0.2697052), wk = 0.0028249 k( 139) = ( 0.4173863 0.4723402 0.2697052), wk = 0.0028249 k( 140) = ( 0.4081110 0.4618437 0.2697052), wk = 0.0028249 k( 141) = ( 0.3988358 0.4513473 0.2697052), wk = 0.0028249 k( 142) = ( 0.3895605 0.4408508 0.2697052), wk = 0.0028249 k( 143) = ( 0.3802853 0.4303544 0.2697052), wk = 0.0028249 k( 144) = ( 0.3710100 0.4198579 0.2697052), wk = 0.0028249 k( 145) = ( 0.3617347 0.4093615 0.2697052), wk = 0.0028249 k( 146) = ( 0.3524595 0.3988650 0.2697052), wk = 0.0028249 k( 147) = ( 0.3431843 0.3883686 0.2697052), wk = 0.0028249 k( 148) = ( 0.3339090 0.3778721 0.2697052), wk = 0.0028249 k( 149) = ( 0.3246337 0.3673757 0.2697052), wk = 0.0028249 k( 150) = ( 0.3153585 0.3568792 0.2697052), wk = 0.0028249 k( 151) = ( 0.3060832 0.3463828 0.2697052), wk = 0.0028249 k( 152) = ( 0.2968080 0.3358863 0.2697052), wk = 0.0028249 k( 153) = ( 0.2875328 0.3253899 0.2697052), wk = 0.0028249 k( 154) = ( 0.2782575 0.3148934 0.2697052), wk = 0.0028249 k( 155) = ( 0.2689822 0.3043970 0.2697052), wk = 0.0028249 k( 156) = ( 0.2597070 0.2939005 0.2697052), wk = 0.0028249 k( 157) = ( 0.2504318 0.2834041 0.2697052), wk = 0.0028249 k( 158) = ( 0.2411565 0.2729077 0.2697052), wk = 0.0028249 k( 159) = ( 0.2318813 0.2624112 0.2697052), wk = 0.0028249 k( 160) = ( 0.2226060 0.2519148 0.2697052), wk = 0.0028249 k( 161) = ( 0.2133308 0.2414183 0.2697052), wk = 0.0028249 k( 162) = ( 0.2040555 0.2309219 0.2697052), wk = 0.0028249 k( 163) = ( 0.1947802 0.2204254 0.2697052), wk = 0.0028249 k( 164) = ( 0.1855050 0.2099290 0.2697052), wk = 0.0028249 k( 165) = ( 0.1762297 0.1994325 0.2697052), wk = 0.0028249 k( 166) = ( 0.1669545 0.1889361 0.2697052), wk = 0.0028249 k( 167) = ( 0.1576792 0.1784396 0.2697052), wk = 0.0028249 k( 168) = ( 0.1484040 0.1679432 0.2697052), wk = 0.0028249 k( 169) = ( 0.1391287 0.1574467 0.2697052), wk = 0.0028249 k( 170) = ( 0.1298535 0.1469503 0.2697052), wk = 0.0028249 k( 171) = ( 0.1205782 0.1364538 0.2697052), wk = 0.0028249 k( 172) = ( 0.1113030 0.1259574 0.2697052), wk = 0.0028249 k( 173) = ( 0.1020278 0.1154609 0.2697052), wk = 0.0028249 k( 174) = ( 0.0927525 0.1049645 0.2697052), wk = 0.0028249 k( 175) = ( 0.0834773 0.0944680 0.2697052), wk = 0.0028249 k( 176) = ( 0.0742020 0.0839716 0.2697052), wk = 0.0028249 k( 177) = ( 0.0649268 0.0734751 0.2697052), wk = 0.0028249 k( 178) = ( 0.0556515 0.0629787 0.2697052), wk = 0.0028249 k( 179) = ( 0.0463763 0.0524822 0.2697052), wk = 0.0028249 k( 180) = ( 0.0371010 0.0419858 0.2697052), wk = 0.0028249 k( 181) = ( 0.0278257 0.0314893 0.2697052), wk = 0.0028249 k( 182) = ( 0.0185505 0.0209929 0.2697052), wk = 0.0028249 k( 183) = ( 0.0092753 0.0104964 0.2697052), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.2697052), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.2697052), wk = 0.0028249 k( 186) = ( 0.0000000 0.0000000 0.2555102), wk = 0.0028249 k( 187) = ( 0.0000000 0.0000000 0.2413152), wk = 0.0028249 k( 188) = ( 0.0000000 0.0000000 0.2271201), wk = 0.0028249 k( 189) = ( 0.0000000 0.0000000 0.2129251), wk = 0.0028249 k( 190) = ( 0.0000000 0.0000000 0.1987301), wk = 0.0028249 k( 191) = ( 0.0000000 0.0000000 0.1845351), wk = 0.0028249 k( 192) = ( 0.0000000 0.0000000 0.1703401), wk = 0.0028249 k( 193) = ( 0.0000000 0.0000000 0.1561451), wk = 0.0028249 k( 194) = ( 0.0000000 0.0000000 0.1419501), wk = 0.0028249 k( 195) = ( 0.0000000 0.0000000 0.1277551), wk = 0.0028249 k( 196) = ( 0.0000000 0.0000000 0.1135601), wk = 0.0028249 k( 197) = ( 0.0000000 0.0000000 0.0993651), wk = 0.0028249 k( 198) = ( 0.0000000 0.0000000 0.0851701), wk = 0.0028249 k( 199) = ( 0.0000000 0.0000000 0.0709750), wk = 0.0028249 k( 200) = ( 0.0000000 0.0000000 0.0567800), wk = 0.0028249 k( 201) = ( 0.0000000 0.0000000 0.0425850), wk = 0.0028249 k( 202) = ( 0.0000000 0.0000000 0.0283900), wk = 0.0028249 k( 203) = ( 0.0000000 0.0000000 0.0141950), wk = 0.0028249 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 206) = ( -0.0106383 0.0094006 0.0000000), wk = 0.0028249 k( 207) = ( -0.0212766 0.0188012 0.0000000), wk = 0.0028249 k( 208) = ( -0.0319149 0.0282018 0.0000000), wk = 0.0028249 k( 209) = ( -0.0425532 0.0376024 -0.0000000), wk = 0.0028249 k( 210) = ( -0.0531915 0.0470030 0.0000000), wk = 0.0028249 k( 211) = ( -0.0638298 0.0564036 0.0000000), wk = 0.0028249 k( 212) = ( -0.0744681 0.0658042 -0.0000000), wk = 0.0028249 k( 213) = ( -0.0851064 0.0752048 -0.0000000), wk = 0.0028249 k( 214) = ( -0.0957447 0.0846054 0.0000000), wk = 0.0028249 k( 215) = ( -0.1063830 0.0940060 0.0000000), wk = 0.0028249 k( 216) = ( -0.1170213 0.1034066 -0.0000000), wk = 0.0028249 k( 217) = ( -0.1276596 0.1128072 -0.0000000), wk = 0.0028249 k( 218) = ( -0.1382979 0.1222078 0.0000000), wk = 0.0028249 k( 219) = ( -0.1489362 0.1316083 0.0000000), wk = 0.0028249 k( 220) = ( -0.1595745 0.1410089 -0.0000000), wk = 0.0028249 k( 221) = ( -0.1702128 0.1504095 0.0000000), wk = 0.0028249 k( 222) = ( -0.1808511 0.1598101 0.0000000), wk = 0.0028249 k( 223) = ( -0.1914894 0.1692107 0.0000000), wk = 0.0028249 k( 224) = ( -0.2021277 0.1786113 -0.0000000), wk = 0.0028249 k( 225) = ( -0.2127660 0.1880119 0.0000000), wk = 0.0028249 k( 226) = ( -0.2234043 0.1974125 -0.0000000), wk = 0.0028249 k( 227) = ( -0.2340425 0.2068131 0.0000000), wk = 0.0028249 k( 228) = ( -0.2446809 0.2162137 0.0000000), wk = 0.0028249 k( 229) = ( -0.2553191 0.2256143 -0.0000000), wk = 0.0028249 k( 230) = ( -0.2659574 0.2350149 -0.0000000), wk = 0.0028249 k( 231) = ( -0.2765957 0.2444155 0.0000000), wk = 0.0028249 k( 232) = ( -0.2872340 0.2538161 -0.0000000), wk = 0.0028249 k( 233) = ( -0.2978723 0.2632167 0.0000000), wk = 0.0028249 k( 234) = ( -0.3085106 0.2726173 0.0000000), wk = 0.0028249 k( 235) = ( -0.3191489 0.2820179 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3297872 0.2914185 0.0000000), wk = 0.0028249 k( 237) = ( -0.3404255 0.3008191 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3510638 0.3102197 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3617021 0.3196203 0.0000000), wk = 0.0028249 k( 240) = ( -0.3723404 0.3290209 -0.0000000), wk = 0.0028249 k( 241) = ( -0.3829787 0.3384215 0.0000000), wk = 0.0028249 k( 242) = ( -0.3936170 0.3478221 0.0000000), wk = 0.0028249 k( 243) = ( -0.4042553 0.3572227 -0.0000000), wk = 0.0028249 k( 244) = ( -0.4148936 0.3666233 0.0000000), wk = 0.0028249 k( 245) = ( -0.4255319 0.3760238 -0.0000000), wk = 0.0028249 k( 246) = ( -0.4361702 0.3854244 -0.0000000), wk = 0.0028249 k( 247) = ( -0.4468085 0.3948250 0.0000000), wk = 0.0028249 k( 248) = ( -0.4574468 0.4042256 -0.0000000), wk = 0.0028249 k( 249) = ( -0.4680851 0.4136262 -0.0000000), wk = 0.0028249 k( 250) = ( -0.4787234 0.4230268 0.0000000), wk = 0.0028249 k( 251) = ( -0.4893617 0.4324274 0.0000000), wk = 0.0028249 k( 252) = ( -0.5000000 0.4418280 0.0000000), wk = 0.0028249 k( 253) = ( -0.5000000 0.4418280 0.0000000), wk = 0.0028249 k( 254) = ( -0.4908687 0.4521616 -0.0000000), wk = 0.0028249 k( 255) = ( -0.4817373 0.4624952 -0.0000000), wk = 0.0028249 k( 256) = ( -0.4726060 0.4728288 -0.0000000), wk = 0.0028249 k( 257) = ( -0.4634747 0.4831624 -0.0000000), wk = 0.0028249 k( 258) = ( -0.4543433 0.4934959 -0.0000000), wk = 0.0028249 k( 259) = ( -0.4452120 0.5038295 -0.0000000), wk = 0.0028249 k( 260) = ( -0.4452120 0.5038295 -0.0000000), wk = 0.0028249 k( 261) = ( -0.4452120 0.5038295 0.0141950), wk = 0.0028249 k( 262) = ( -0.4452120 0.5038295 0.0283900), wk = 0.0028249 k( 263) = ( -0.4452120 0.5038295 0.0425850), wk = 0.0028249 k( 264) = ( -0.4452120 0.5038295 0.0567800), wk = 0.0028249 k( 265) = ( -0.4452120 0.5038295 0.0709750), wk = 0.0028249 k( 266) = ( -0.4452120 0.5038295 0.0851701), wk = 0.0028249 k( 267) = ( -0.4452120 0.5038295 0.0993651), wk = 0.0028249 k( 268) = ( -0.4452120 0.5038295 0.1135601), wk = 0.0028249 k( 269) = ( -0.4452120 0.5038295 0.1277551), wk = 0.0028249 k( 270) = ( -0.4452120 0.5038295 0.1419501), wk = 0.0028249 k( 271) = ( -0.4452120 0.5038295 0.1561451), wk = 0.0028249 k( 272) = ( -0.4452120 0.5038295 0.1703401), wk = 0.0028249 k( 273) = ( -0.4452120 0.5038295 0.1845351), wk = 0.0028249 k( 274) = ( -0.4452120 0.5038295 0.1987301), wk = 0.0028249 k( 275) = ( -0.4452120 0.5038295 0.2129251), wk = 0.0028249 k( 276) = ( -0.4452120 0.5038295 0.2271201), wk = 0.0028249 k( 277) = ( -0.4452120 0.5038295 0.2413152), wk = 0.0028249 k( 278) = ( -0.4452120 0.5038295 0.2555102), wk = 0.0028249 k( 279) = ( -0.4452120 0.5038295 0.2697052), wk = 0.0028249 k( 280) = ( -0.4452120 0.5038295 0.2697052), wk = 0.0028249 k( 281) = ( -0.4543433 0.4934959 0.2697052), wk = 0.0028249 k( 282) = ( -0.4634747 0.4831624 0.2697052), wk = 0.0028249 k( 283) = ( -0.4726060 0.4728288 0.2697052), wk = 0.0028249 k( 284) = ( -0.4817373 0.4624952 0.2697052), wk = 0.0028249 k( 285) = ( -0.4908687 0.4521616 0.2697052), wk = 0.0028249 k( 286) = ( -0.5000000 0.4418280 0.2697052), wk = 0.0028249 k( 287) = ( -0.5000000 0.4418280 0.2697052), wk = 0.0028249 k( 288) = ( -0.5000000 0.4418280 0.2555102), wk = 0.0028249 k( 289) = ( -0.5000000 0.4418280 0.2413152), wk = 0.0028249 k( 290) = ( -0.5000000 0.4418280 0.2271201), wk = 0.0028249 k( 291) = ( -0.5000000 0.4418280 0.2129251), wk = 0.0028249 k( 292) = ( -0.5000000 0.4418280 0.1987301), wk = 0.0028249 k( 293) = ( -0.5000000 0.4418280 0.1845351), wk = 0.0028249 k( 294) = ( -0.5000000 0.4418280 0.1703401), wk = 0.0028249 k( 295) = ( -0.5000000 0.4418280 0.1561451), wk = 0.0028249 k( 296) = ( -0.5000000 0.4418280 0.1419501), wk = 0.0028249 k( 297) = ( -0.5000000 0.4418280 0.1277551), wk = 0.0028249 k( 298) = ( -0.5000000 0.4418280 0.1135601), wk = 0.0028249 k( 299) = ( -0.5000000 0.4418280 0.0993651), wk = 0.0028249 k( 300) = ( -0.5000000 0.4418280 0.0851701), wk = 0.0028249 k( 301) = ( -0.5000000 0.4418280 0.0709750), wk = 0.0028249 k( 302) = ( -0.5000000 0.4418280 0.0567800), wk = 0.0028249 k( 303) = ( -0.5000000 0.4418280 0.0425850), wk = 0.0028249 k( 304) = ( -0.5000000 0.4418280 0.0283900), wk = 0.0028249 k( 305) = ( -0.5000000 0.4418280 0.0141950), wk = 0.0028249 k( 306) = ( -0.5000000 0.4418280 0.0000000), wk = 0.0028249 k( 307) = ( 0.0000000 0.0000000 0.2697052), wk = 0.0028249 k( 308) = ( -0.0106383 0.0094006 0.2697052), wk = 0.0028249 k( 309) = ( -0.0212766 0.0188012 0.2697052), wk = 0.0028249 k( 310) = ( -0.0319149 0.0282018 0.2697052), wk = 0.0028249 k( 311) = ( -0.0425532 0.0376024 0.2697052), wk = 0.0028249 k( 312) = ( -0.0531915 0.0470030 0.2697052), wk = 0.0028249 k( 313) = ( -0.0638298 0.0564036 0.2697052), wk = 0.0028249 k( 314) = ( -0.0744681 0.0658042 0.2697052), wk = 0.0028249 k( 315) = ( -0.0851064 0.0752048 0.2697052), wk = 0.0028249 k( 316) = ( -0.0957447 0.0846054 0.2697052), wk = 0.0028249 k( 317) = ( -0.1063830 0.0940060 0.2697052), wk = 0.0028249 k( 318) = ( -0.1170213 0.1034066 0.2697052), wk = 0.0028249 k( 319) = ( -0.1276596 0.1128072 0.2697052), wk = 0.0028249 k( 320) = ( -0.1382979 0.1222078 0.2697052), wk = 0.0028249 k( 321) = ( -0.1489362 0.1316083 0.2697052), wk = 0.0028249 k( 322) = ( -0.1595745 0.1410089 0.2697052), wk = 0.0028249 k( 323) = ( -0.1702128 0.1504095 0.2697052), wk = 0.0028249 k( 324) = ( -0.1808511 0.1598101 0.2697052), wk = 0.0028249 k( 325) = ( -0.1914894 0.1692107 0.2697052), wk = 0.0028249 k( 326) = ( -0.2021277 0.1786113 0.2697052), wk = 0.0028249 k( 327) = ( -0.2127660 0.1880119 0.2697052), wk = 0.0028249 k( 328) = ( -0.2234043 0.1974125 0.2697052), wk = 0.0028249 k( 329) = ( -0.2340425 0.2068131 0.2697052), wk = 0.0028249 k( 330) = ( -0.2446809 0.2162137 0.2697052), wk = 0.0028249 k( 331) = ( -0.2553191 0.2256143 0.2697052), wk = 0.0028249 k( 332) = ( -0.2659574 0.2350149 0.2697052), wk = 0.0028249 k( 333) = ( -0.2765957 0.2444155 0.2697052), wk = 0.0028249 k( 334) = ( -0.2872340 0.2538161 0.2697052), wk = 0.0028249 k( 335) = ( -0.2978723 0.2632167 0.2697052), wk = 0.0028249 k( 336) = ( -0.3085106 0.2726173 0.2697052), wk = 0.0028249 k( 337) = ( -0.3191489 0.2820179 0.2697052), wk = 0.0028249 k( 338) = ( -0.3297872 0.2914185 0.2697052), wk = 0.0028249 k( 339) = ( -0.3404255 0.3008191 0.2697052), wk = 0.0028249 k( 340) = ( -0.3510638 0.3102197 0.2697052), wk = 0.0028249 k( 341) = ( -0.3617021 0.3196203 0.2697052), wk = 0.0028249 k( 342) = ( -0.3723404 0.3290209 0.2697052), wk = 0.0028249 k( 343) = ( -0.3829787 0.3384215 0.2697052), wk = 0.0028249 k( 344) = ( -0.3936170 0.3478221 0.2697052), wk = 0.0028249 k( 345) = ( -0.4042553 0.3572227 0.2697052), wk = 0.0028249 k( 346) = ( -0.4148936 0.3666233 0.2697052), wk = 0.0028249 k( 347) = ( -0.4255319 0.3760238 0.2697052), wk = 0.0028249 k( 348) = ( -0.4361702 0.3854244 0.2697052), wk = 0.0028249 k( 349) = ( -0.4468085 0.3948250 0.2697052), wk = 0.0028249 k( 350) = ( -0.4574468 0.4042256 0.2697052), wk = 0.0028249 k( 351) = ( -0.4680851 0.4136262 0.2697052), wk = 0.0028249 k( 352) = ( -0.4787234 0.4230268 0.2697052), wk = 0.0028249 k( 353) = ( -0.4893617 0.4324274 0.2697052), wk = 0.0028249 k( 354) = ( -0.5000000 0.4418280 0.2697052), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0092753 0.0092753 0.0000000), wk = 0.0028249 k( 3) = ( 0.0185505 0.0185505 0.0000000), wk = 0.0028249 k( 4) = ( 0.0278257 0.0278257 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0371010 0.0371010 0.0000000), wk = 0.0028249 k( 6) = ( 0.0463763 0.0463762 0.0000000), wk = 0.0028249 k( 7) = ( 0.0556515 0.0556515 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0649268 0.0649268 0.0000000), wk = 0.0028249 k( 9) = ( 0.0742020 0.0742020 0.0000000), wk = 0.0028249 k( 10) = ( 0.0834773 0.0834773 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0927525 0.0927525 0.0000000), wk = 0.0028249 k( 12) = ( 0.1020278 0.1020277 0.0000000), wk = 0.0028249 k( 13) = ( 0.1113030 0.1113030 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1205782 0.1205782 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1298535 0.1298535 0.0000000), wk = 0.0028249 k( 16) = ( 0.1391287 0.1391287 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1484040 0.1484040 0.0000000), wk = 0.0028249 k( 18) = ( 0.1576792 0.1576792 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1669545 0.1669545 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1762297 0.1762297 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1855050 0.1855050 0.0000000), wk = 0.0028249 k( 22) = ( 0.1947802 0.1947802 -0.0000000), wk = 0.0028249 k( 23) = ( 0.2040555 0.2040555 0.0000000), wk = 0.0028249 k( 24) = ( 0.2133308 0.2133307 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2226060 0.2226060 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2318813 0.2318812 0.0000000), wk = 0.0028249 k( 27) = ( 0.2411565 0.2411565 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2504318 0.2504317 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2597070 0.2597070 0.0000000), wk = 0.0028249 k( 30) = ( 0.2689822 0.2689822 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2782575 0.2782575 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2875328 0.2875327 0.0000000), wk = 0.0028249 k( 33) = ( 0.2968080 0.2968080 0.0000000), wk = 0.0028249 k( 34) = ( 0.3060832 0.3060832 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3153585 0.3153585 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3246337 0.3246337 0.0000000), wk = 0.0028249 k( 37) = ( 0.3339090 0.3339090 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3431843 0.3431842 0.0000000), wk = 0.0028249 k( 39) = ( 0.3524595 0.3524595 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3617347 0.3617347 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3710100 0.3710100 0.0000000), wk = 0.0028249 k( 42) = ( 0.3802853 0.3802853 0.0000000), wk = 0.0028249 k( 43) = ( 0.3895605 0.3895605 -0.0000000), wk = 0.0028249 k( 44) = ( 0.3988358 0.3988358 -0.0000000), wk = 0.0028249 k( 45) = ( 0.4081110 0.4081110 -0.0000000), wk = 0.0028249 k( 46) = ( 0.4173863 0.4173863 -0.0000000), wk = 0.0028249 k( 47) = ( 0.4266615 0.4266615 -0.0000000), wk = 0.0028249 k( 48) = ( 0.4359368 0.4359368 -0.0000000), wk = 0.0028249 k( 49) = ( 0.4452120 0.4452120 -0.0000000), wk = 0.0028249 k( 50) = ( 0.4452120 0.4452120 -0.0000000), wk = 0.0028249 k( 51) = ( 0.4312991 0.4469241 -0.0000000), wk = 0.0028249 k( 52) = ( 0.4173863 0.4486363 -0.0000000), wk = 0.0028249 k( 53) = ( 0.4034734 0.4503484 -0.0000000), wk = 0.0028249 k( 54) = ( 0.3895605 0.4520605 -0.0000000), wk = 0.0028249 k( 55) = ( 0.3756476 0.4537726 -0.0000000), wk = 0.0028249 k( 56) = ( 0.3617347 0.4554847 0.0000000), wk = 0.0028249 k( 57) = ( 0.3478219 0.4571969 -0.0000000), wk = 0.0028249 k( 58) = ( 0.3339090 0.4589090 -0.0000000), wk = 0.0028249 k( 59) = ( 0.3199961 0.4606211 0.0000000), wk = 0.0028249 k( 60) = ( 0.3060832 0.4623332 -0.0000000), wk = 0.0028249 k( 61) = ( 0.2921704 0.4640454 -0.0000000), wk = 0.0028249 k( 62) = ( 0.2782575 0.4657575 0.0000000), wk = 0.0028249 k( 63) = ( 0.2643446 0.4674696 -0.0000000), wk = 0.0028249 k( 64) = ( 0.2504318 0.4691817 -0.0000000), wk = 0.0028249 k( 65) = ( 0.2365189 0.4708939 -0.0000000), wk = 0.0028249 k( 66) = ( 0.2226060 0.4726060 0.0000000), wk = 0.0028249 k( 67) = ( 0.2086931 0.4743181 -0.0000000), wk = 0.0028249 k( 68) = ( 0.1947802 0.4760302 -0.0000000), wk = 0.0028249 k( 69) = ( 0.1808674 0.4777424 -0.0000000), wk = 0.0028249 k( 70) = ( 0.1669545 0.4794545 -0.0000000), wk = 0.0028249 k( 71) = ( 0.1530416 0.4811666 0.0000000), wk = 0.0028249 k( 72) = ( 0.1391287 0.4828787 -0.0000000), wk = 0.0028249 k( 73) = ( 0.1252159 0.4845909 -0.0000000), wk = 0.0028249 k( 74) = ( 0.1113030 0.4863030 -0.0000000), wk = 0.0028249 k( 75) = ( 0.0973901 0.4880151 -0.0000000), wk = 0.0028249 k( 76) = ( 0.0834773 0.4897272 -0.0000000), wk = 0.0028249 k( 77) = ( 0.0695644 0.4914394 0.0000000), wk = 0.0028249 k( 78) = ( 0.0556515 0.4931515 -0.0000000), wk = 0.0028249 k( 79) = ( 0.0417386 0.4948636 -0.0000000), wk = 0.0028249 k( 80) = ( 0.0278257 0.4965757 0.0000000), wk = 0.0028249 k( 81) = ( 0.0139129 0.4982879 0.0000000), wk = 0.0028249 k( 82) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 83) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 84) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0028249 k( 85) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0028249 k( 86) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0028249 k( 87) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0028249 k( 88) = ( 0.0000000 0.5000000 0.1315789), wk = 0.0028249 k( 89) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0028249 k( 90) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0028249 k( 91) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0028249 k( 92) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0028249 k( 93) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0028249 k( 94) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0028249 k( 95) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0028249 k( 96) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0028249 k( 97) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0028249 k( 98) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0028249 k( 99) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0028249 k( 100) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0028249 k( 101) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0028249 k( 102) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 103) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 104) = ( 0.0139129 0.4982879 0.5000000), wk = 0.0028249 k( 105) = ( 0.0278257 0.4965757 0.5000000), wk = 0.0028249 k( 106) = ( 0.0417386 0.4948636 0.5000000), wk = 0.0028249 k( 107) = ( 0.0556515 0.4931515 0.5000000), wk = 0.0028249 k( 108) = ( 0.0695644 0.4914394 0.5000000), wk = 0.0028249 k( 109) = ( 0.0834773 0.4897272 0.5000000), wk = 0.0028249 k( 110) = ( 0.0973901 0.4880151 0.5000000), wk = 0.0028249 k( 111) = ( 0.1113030 0.4863030 0.5000000), wk = 0.0028249 k( 112) = ( 0.1252159 0.4845909 0.5000000), wk = 0.0028249 k( 113) = ( 0.1391287 0.4828787 0.5000000), wk = 0.0028249 k( 114) = ( 0.1530416 0.4811666 0.5000000), wk = 0.0028249 k( 115) = ( 0.1669545 0.4794545 0.5000000), wk = 0.0028249 k( 116) = ( 0.1808674 0.4777424 0.5000000), wk = 0.0028249 k( 117) = ( 0.1947802 0.4760302 0.5000000), wk = 0.0028249 k( 118) = ( 0.2086931 0.4743181 0.5000000), wk = 0.0028249 k( 119) = ( 0.2226060 0.4726060 0.5000000), wk = 0.0028249 k( 120) = ( 0.2365189 0.4708939 0.5000000), wk = 0.0028249 k( 121) = ( 0.2504318 0.4691817 0.5000000), wk = 0.0028249 k( 122) = ( 0.2643446 0.4674696 0.5000000), wk = 0.0028249 k( 123) = ( 0.2782575 0.4657575 0.5000000), wk = 0.0028249 k( 124) = ( 0.2921704 0.4640454 0.5000000), wk = 0.0028249 k( 125) = ( 0.3060832 0.4623332 0.5000000), wk = 0.0028249 k( 126) = ( 0.3199961 0.4606211 0.5000000), wk = 0.0028249 k( 127) = ( 0.3339090 0.4589090 0.5000000), wk = 0.0028249 k( 128) = ( 0.3478219 0.4571969 0.5000000), wk = 0.0028249 k( 129) = ( 0.3617347 0.4554847 0.5000000), wk = 0.0028249 k( 130) = ( 0.3756476 0.4537726 0.5000000), wk = 0.0028249 k( 131) = ( 0.3895605 0.4520605 0.5000000), wk = 0.0028249 k( 132) = ( 0.4034734 0.4503484 0.5000000), wk = 0.0028249 k( 133) = ( 0.4173863 0.4486363 0.5000000), wk = 0.0028249 k( 134) = ( 0.4312991 0.4469241 0.5000000), wk = 0.0028249 k( 135) = ( 0.4452120 0.4452120 0.5000000), wk = 0.0028249 k( 136) = ( 0.4452120 0.4452120 0.5000000), wk = 0.0028249 k( 137) = ( 0.4359368 0.4359368 0.5000000), wk = 0.0028249 k( 138) = ( 0.4266615 0.4266615 0.5000000), wk = 0.0028249 k( 139) = ( 0.4173863 0.4173863 0.5000000), wk = 0.0028249 k( 140) = ( 0.4081110 0.4081110 0.5000000), wk = 0.0028249 k( 141) = ( 0.3988358 0.3988358 0.5000000), wk = 0.0028249 k( 142) = ( 0.3895605 0.3895605 0.5000000), wk = 0.0028249 k( 143) = ( 0.3802853 0.3802853 0.5000000), wk = 0.0028249 k( 144) = ( 0.3710100 0.3710100 0.5000000), wk = 0.0028249 k( 145) = ( 0.3617347 0.3617347 0.5000000), wk = 0.0028249 k( 146) = ( 0.3524595 0.3524595 0.5000000), wk = 0.0028249 k( 147) = ( 0.3431843 0.3431842 0.5000000), wk = 0.0028249 k( 148) = ( 0.3339090 0.3339090 0.5000000), wk = 0.0028249 k( 149) = ( 0.3246337 0.3246337 0.5000000), wk = 0.0028249 k( 150) = ( 0.3153585 0.3153585 0.5000000), wk = 0.0028249 k( 151) = ( 0.3060832 0.3060832 0.5000000), wk = 0.0028249 k( 152) = ( 0.2968080 0.2968080 0.5000000), wk = 0.0028249 k( 153) = ( 0.2875328 0.2875327 0.5000000), wk = 0.0028249 k( 154) = ( 0.2782575 0.2782575 0.5000000), wk = 0.0028249 k( 155) = ( 0.2689822 0.2689822 0.5000000), wk = 0.0028249 k( 156) = ( 0.2597070 0.2597070 0.5000000), wk = 0.0028249 k( 157) = ( 0.2504318 0.2504317 0.5000000), wk = 0.0028249 k( 158) = ( 0.2411565 0.2411565 0.5000000), wk = 0.0028249 k( 159) = ( 0.2318813 0.2318812 0.5000000), wk = 0.0028249 k( 160) = ( 0.2226060 0.2226060 0.5000000), wk = 0.0028249 k( 161) = ( 0.2133308 0.2133307 0.5000000), wk = 0.0028249 k( 162) = ( 0.2040555 0.2040555 0.5000000), wk = 0.0028249 k( 163) = ( 0.1947802 0.1947802 0.5000000), wk = 0.0028249 k( 164) = ( 0.1855050 0.1855050 0.5000000), wk = 0.0028249 k( 165) = ( 0.1762297 0.1762297 0.5000000), wk = 0.0028249 k( 166) = ( 0.1669545 0.1669545 0.5000000), wk = 0.0028249 k( 167) = ( 0.1576792 0.1576792 0.5000000), wk = 0.0028249 k( 168) = ( 0.1484040 0.1484040 0.5000000), wk = 0.0028249 k( 169) = ( 0.1391287 0.1391287 0.5000000), wk = 0.0028249 k( 170) = ( 0.1298535 0.1298535 0.5000000), wk = 0.0028249 k( 171) = ( 0.1205782 0.1205782 0.5000000), wk = 0.0028249 k( 172) = ( 0.1113030 0.1113030 0.5000000), wk = 0.0028249 k( 173) = ( 0.1020278 0.1020277 0.5000000), wk = 0.0028249 k( 174) = ( 0.0927525 0.0927525 0.5000000), wk = 0.0028249 k( 175) = ( 0.0834773 0.0834773 0.5000000), wk = 0.0028249 k( 176) = ( 0.0742020 0.0742020 0.5000000), wk = 0.0028249 k( 177) = ( 0.0649268 0.0649268 0.5000000), wk = 0.0028249 k( 178) = ( 0.0556515 0.0556515 0.5000000), wk = 0.0028249 k( 179) = ( 0.0463763 0.0463762 0.5000000), wk = 0.0028249 k( 180) = ( 0.0371010 0.0371010 0.5000000), wk = 0.0028249 k( 181) = ( 0.0278257 0.0278257 0.5000000), wk = 0.0028249 k( 182) = ( 0.0185505 0.0185505 0.5000000), wk = 0.0028249 k( 183) = ( 0.0092753 0.0092753 0.5000000), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 186) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028249 k( 187) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028249 k( 188) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028249 k( 189) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028249 k( 190) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028249 k( 191) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028249 k( 192) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028249 k( 193) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028249 k( 194) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028249 k( 195) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028249 k( 196) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028249 k( 197) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028249 k( 198) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028249 k( 199) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028249 k( 200) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028249 k( 201) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028249 k( 202) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028249 k( 203) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028249 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 206) = ( -0.0106383 0.0106383 -0.0000000), wk = 0.0028249 k( 207) = ( -0.0212766 0.0212766 -0.0000000), wk = 0.0028249 k( 208) = ( -0.0319149 0.0319149 -0.0000000), wk = 0.0028249 k( 209) = ( -0.0425532 0.0425532 -0.0000000), wk = 0.0028249 k( 210) = ( -0.0531915 0.0531915 -0.0000000), wk = 0.0028249 k( 211) = ( -0.0638298 0.0638298 -0.0000000), wk = 0.0028249 k( 212) = ( -0.0744681 0.0744681 -0.0000000), wk = 0.0028249 k( 213) = ( -0.0851064 0.0851064 -0.0000000), wk = 0.0028249 k( 214) = ( -0.0957447 0.0957447 -0.0000000), wk = 0.0028249 k( 215) = ( -0.1063830 0.1063830 -0.0000000), wk = 0.0028249 k( 216) = ( -0.1170213 0.1170213 -0.0000000), wk = 0.0028249 k( 217) = ( -0.1276596 0.1276596 -0.0000000), wk = 0.0028249 k( 218) = ( -0.1382979 0.1382979 0.0000000), wk = 0.0028249 k( 219) = ( -0.1489362 0.1489362 -0.0000000), wk = 0.0028249 k( 220) = ( -0.1595745 0.1595745 -0.0000000), wk = 0.0028249 k( 221) = ( -0.1702128 0.1702128 0.0000000), wk = 0.0028249 k( 222) = ( -0.1808511 0.1808511 -0.0000000), wk = 0.0028249 k( 223) = ( -0.1914894 0.1914894 -0.0000000), wk = 0.0028249 k( 224) = ( -0.2021277 0.2021277 -0.0000000), wk = 0.0028249 k( 225) = ( -0.2127660 0.2127660 -0.0000000), wk = 0.0028249 k( 226) = ( -0.2234043 0.2234043 -0.0000000), wk = 0.0028249 k( 227) = ( -0.2340425 0.2340425 -0.0000000), wk = 0.0028249 k( 228) = ( -0.2446809 0.2446809 -0.0000000), wk = 0.0028249 k( 229) = ( -0.2553191 0.2553191 -0.0000000), wk = 0.0028249 k( 230) = ( -0.2659574 0.2659574 -0.0000000), wk = 0.0028249 k( 231) = ( -0.2765957 0.2765957 0.0000000), wk = 0.0028249 k( 232) = ( -0.2872340 0.2872340 -0.0000000), wk = 0.0028249 k( 233) = ( -0.2978723 0.2978723 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3085106 0.3085106 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3191489 0.3191489 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3297872 0.3297872 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3404255 0.3404255 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3510638 0.3510638 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3617021 0.3617021 -0.0000000), wk = 0.0028249 k( 240) = ( -0.3723404 0.3723404 -0.0000000), wk = 0.0028249 k( 241) = ( -0.3829787 0.3829787 -0.0000000), wk = 0.0028249 k( 242) = ( -0.3936170 0.3936170 0.0000000), wk = 0.0028249 k( 243) = ( -0.4042553 0.4042553 -0.0000000), wk = 0.0028249 k( 244) = ( -0.4148936 0.4148936 -0.0000000), wk = 0.0028249 k( 245) = ( -0.4255319 0.4255319 -0.0000000), wk = 0.0028249 k( 246) = ( -0.4361702 0.4361702 -0.0000000), wk = 0.0028249 k( 247) = ( -0.4468085 0.4468085 -0.0000000), wk = 0.0028249 k( 248) = ( -0.4574468 0.4574468 -0.0000000), wk = 0.0028249 k( 249) = ( -0.4680851 0.4680851 -0.0000000), wk = 0.0028249 k( 250) = ( -0.4787234 0.4787234 -0.0000000), wk = 0.0028249 k( 251) = ( -0.4893617 0.4893617 -0.0000000), wk = 0.0028249 k( 252) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 253) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 254) = ( -0.4908687 0.5091313 -0.0000000), wk = 0.0028249 k( 255) = ( -0.4817373 0.5182627 -0.0000000), wk = 0.0028249 k( 256) = ( -0.4726060 0.5273940 -0.0000000), wk = 0.0028249 k( 257) = ( -0.4634747 0.5365253 0.0000000), wk = 0.0028249 k( 258) = ( -0.4543433 0.5456567 -0.0000000), wk = 0.0028249 k( 259) = ( -0.4452120 0.5547880 -0.0000000), wk = 0.0028249 k( 260) = ( -0.4452120 0.5547880 -0.0000000), wk = 0.0028249 k( 261) = ( -0.4452120 0.5547880 0.0263158), wk = 0.0028249 k( 262) = ( -0.4452120 0.5547880 0.0526316), wk = 0.0028249 k( 263) = ( -0.4452120 0.5547880 0.0789474), wk = 0.0028249 k( 264) = ( -0.4452120 0.5547880 0.1052632), wk = 0.0028249 k( 265) = ( -0.4452120 0.5547880 0.1315790), wk = 0.0028249 k( 266) = ( -0.4452120 0.5547880 0.1578947), wk = 0.0028249 k( 267) = ( -0.4452120 0.5547880 0.1842105), wk = 0.0028249 k( 268) = ( -0.4452120 0.5547880 0.2105263), wk = 0.0028249 k( 269) = ( -0.4452120 0.5547880 0.2368421), wk = 0.0028249 k( 270) = ( -0.4452120 0.5547880 0.2631579), wk = 0.0028249 k( 271) = ( -0.4452120 0.5547880 0.2894737), wk = 0.0028249 k( 272) = ( -0.4452120 0.5547880 0.3157895), wk = 0.0028249 k( 273) = ( -0.4452120 0.5547880 0.3421053), wk = 0.0028249 k( 274) = ( -0.4452120 0.5547880 0.3684211), wk = 0.0028249 k( 275) = ( -0.4452120 0.5547880 0.3947368), wk = 0.0028249 k( 276) = ( -0.4452120 0.5547880 0.4210526), wk = 0.0028249 k( 277) = ( -0.4452120 0.5547880 0.4473684), wk = 0.0028249 k( 278) = ( -0.4452120 0.5547880 0.4736842), wk = 0.0028249 k( 279) = ( -0.4452120 0.5547880 0.5000000), wk = 0.0028249 k( 280) = ( -0.4452120 0.5547880 0.5000000), wk = 0.0028249 k( 281) = ( -0.4543433 0.5456567 0.5000000), wk = 0.0028249 k( 282) = ( -0.4634747 0.5365253 0.5000000), wk = 0.0028249 k( 283) = ( -0.4726060 0.5273940 0.5000000), wk = 0.0028249 k( 284) = ( -0.4817373 0.5182627 0.5000000), wk = 0.0028249 k( 285) = ( -0.4908687 0.5091313 0.5000000), wk = 0.0028249 k( 286) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 288) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0028249 k( 289) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0028249 k( 290) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0028249 k( 291) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0028249 k( 292) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0028249 k( 293) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0028249 k( 294) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0028249 k( 295) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0028249 k( 296) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0028249 k( 297) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0028249 k( 298) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0028249 k( 299) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0028249 k( 300) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0028249 k( 301) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0028249 k( 302) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0028249 k( 303) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0028249 k( 304) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0028249 k( 305) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0028249 k( 306) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 307) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 308) = ( -0.0106383 0.0106383 0.5000000), wk = 0.0028249 k( 309) = ( -0.0212766 0.0212766 0.5000000), wk = 0.0028249 k( 310) = ( -0.0319149 0.0319149 0.5000000), wk = 0.0028249 k( 311) = ( -0.0425532 0.0425532 0.5000000), wk = 0.0028249 k( 312) = ( -0.0531915 0.0531915 0.5000000), wk = 0.0028249 k( 313) = ( -0.0638298 0.0638298 0.5000000), wk = 0.0028249 k( 314) = ( -0.0744681 0.0744681 0.5000000), wk = 0.0028249 k( 315) = ( -0.0851064 0.0851064 0.5000000), wk = 0.0028249 k( 316) = ( -0.0957447 0.0957447 0.5000000), wk = 0.0028249 k( 317) = ( -0.1063830 0.1063830 0.5000000), wk = 0.0028249 k( 318) = ( -0.1170213 0.1170213 0.5000000), wk = 0.0028249 k( 319) = ( -0.1276596 0.1276596 0.5000000), wk = 0.0028249 k( 320) = ( -0.1382979 0.1382979 0.5000000), wk = 0.0028249 k( 321) = ( -0.1489362 0.1489362 0.5000000), wk = 0.0028249 k( 322) = ( -0.1595745 0.1595745 0.5000000), wk = 0.0028249 k( 323) = ( -0.1702128 0.1702128 0.5000000), wk = 0.0028249 k( 324) = ( -0.1808511 0.1808511 0.5000000), wk = 0.0028249 k( 325) = ( -0.1914894 0.1914894 0.5000000), wk = 0.0028249 k( 326) = ( -0.2021277 0.2021277 0.5000000), wk = 0.0028249 k( 327) = ( -0.2127660 0.2127660 0.5000000), wk = 0.0028249 k( 328) = ( -0.2234043 0.2234043 0.5000000), wk = 0.0028249 k( 329) = ( -0.2340425 0.2340425 0.5000000), wk = 0.0028249 k( 330) = ( -0.2446809 0.2446809 0.5000000), wk = 0.0028249 k( 331) = ( -0.2553191 0.2553191 0.5000000), wk = 0.0028249 k( 332) = ( -0.2659574 0.2659574 0.5000000), wk = 0.0028249 k( 333) = ( -0.2765957 0.2765957 0.5000000), wk = 0.0028249 k( 334) = ( -0.2872340 0.2872340 0.5000000), wk = 0.0028249 k( 335) = ( -0.2978723 0.2978723 0.5000000), wk = 0.0028249 k( 336) = ( -0.3085106 0.3085106 0.5000000), wk = 0.0028249 k( 337) = ( -0.3191489 0.3191489 0.5000000), wk = 0.0028249 k( 338) = ( -0.3297872 0.3297872 0.5000000), wk = 0.0028249 k( 339) = ( -0.3404255 0.3404255 0.5000000), wk = 0.0028249 k( 340) = ( -0.3510638 0.3510638 0.5000000), wk = 0.0028249 k( 341) = ( -0.3617021 0.3617021 0.5000000), wk = 0.0028249 k( 342) = ( -0.3723404 0.3723404 0.5000000), wk = 0.0028249 k( 343) = ( -0.3829787 0.3829787 0.5000000), wk = 0.0028249 k( 344) = ( -0.3936170 0.3936170 0.5000000), wk = 0.0028249 k( 345) = ( -0.4042553 0.4042553 0.5000000), wk = 0.0028249 k( 346) = ( -0.4148936 0.4148936 0.5000000), wk = 0.0028249 k( 347) = ( -0.4255319 0.4255319 0.5000000), wk = 0.0028249 k( 348) = ( -0.4361702 0.4361702 0.5000000), wk = 0.0028249 k( 349) = ( -0.4468085 0.4468085 0.5000000), wk = 0.0028249 k( 350) = ( -0.4574468 0.4574468 0.5000000), wk = 0.0028249 k( 351) = ( -0.4680851 0.4680851 0.5000000), wk = 0.0028249 k( 352) = ( -0.4787234 0.4787234 0.5000000), wk = 0.0028249 k( 353) = ( -0.4893617 0.4893617 0.5000000), wk = 0.0028249 k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 109909 G-vectors FFT dimensions: ( 50, 50, 90) Smooth grid: 46837 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 342, 48) NL pseudopotentials 0.38 Mb ( 171, 144) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 3055) G-vector shells 0.01 Mb ( 1469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.00 Mb ( 342, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.21 Mb ( 144, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./BH5NCl.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.3 secs Computing kpt #: 14 total cpu time spent up to now is 9.8 secs Computing kpt #: 15 total cpu time spent up to now is 10.3 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.4 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.0 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.1 secs Computing kpt #: 23 total cpu time spent up to now is 14.6 secs Computing kpt #: 24 total cpu time spent up to now is 15.2 secs Computing kpt #: 25 total cpu time spent up to now is 15.7 secs Computing kpt #: 26 total cpu time spent up to now is 16.3 secs Computing kpt #: 27 total cpu time spent up to now is 16.8 secs Computing kpt #: 28 total cpu time spent up to now is 17.5 secs Computing kpt #: 29 total cpu time spent up to now is 18.0 secs Computing kpt #: 30 total cpu time spent up to now is 18.6 secs Computing kpt #: 31 total cpu time spent up to now is 19.3 secs Computing kpt #: 32 total cpu time spent up to now is 19.9 secs Computing kpt #: 33 total cpu time spent up to now is 20.6 secs Computing kpt #: 34 total cpu time spent up to now is 21.2 secs Computing kpt #: 35 total cpu time spent up to now is 21.8 secs Computing kpt #: 36 total cpu time spent up to now is 22.5 secs Computing kpt #: 37 total cpu time spent up to now is 23.2 secs Computing kpt #: 38 total cpu time spent up to now is 23.8 secs Computing kpt #: 39 total cpu time spent up to now is 24.4 secs Computing kpt #: 40 total cpu time spent up to now is 25.1 secs Computing kpt #: 41 total cpu time spent up to now is 25.8 secs Computing kpt #: 42 total cpu time spent up to now is 26.6 secs Computing kpt #: 43 total cpu time spent up to now is 27.3 secs Computing kpt #: 44 total cpu time spent up to now is 28.1 secs Computing kpt #: 45 total cpu time spent up to now is 28.9 secs Computing kpt #: 46 total cpu time spent up to now is 29.7 secs Computing kpt #: 47 total cpu time spent up to now is 30.4 secs Computing kpt #: 48 total cpu time spent up to now is 31.1 secs Computing kpt #: 49 total cpu time spent up to now is 31.9 secs Computing kpt #: 50 total cpu time spent up to now is 32.5 secs Computing kpt #: 51 total cpu time spent up to now is 33.2 secs Computing kpt #: 52 total cpu time spent up to now is 33.9 secs Computing kpt #: 53 total cpu time spent up to now is 34.7 secs Computing kpt #: 54 total cpu time spent up to now is 35.4 secs Computing kpt #: 55 total cpu time spent up to now is 36.1 secs Computing kpt #: 56 total cpu time spent up to now is 36.9 secs Computing kpt #: 57 total cpu time spent up to now is 37.7 secs Computing kpt #: 58 total cpu time spent up to now is 38.5 secs Computing kpt #: 59 total cpu time spent up to now is 39.2 secs Computing kpt #: 60 total cpu time spent up to now is 39.9 secs Computing kpt #: 61 total cpu time spent up to now is 40.6 secs Computing kpt #: 62 total cpu time spent up to now is 41.3 secs Computing kpt #: 63 total cpu time spent up to now is 42.0 secs Computing kpt #: 64 total cpu time spent up to now is 42.6 secs Computing kpt #: 65 total cpu time spent up to now is 43.2 secs Computing kpt #: 66 total cpu time spent up to now is 43.9 secs Computing kpt #: 67 total cpu time spent up to now is 44.6 secs Computing kpt #: 68 total cpu time spent up to now is 45.2 secs Computing kpt #: 69 total cpu time spent up to now is 45.8 secs Computing kpt #: 70 total cpu time spent up to now is 46.4 secs Computing kpt #: 71 total cpu time spent up to now is 46.9 secs Computing kpt #: 72 total cpu time spent up to now is 47.5 secs Computing kpt #: 73 total cpu time spent up to now is 48.1 secs Computing kpt #: 74 total cpu time spent up to now is 48.7 secs Computing kpt #: 75 total cpu time spent up to now is 49.2 secs Computing kpt #: 76 total cpu time spent up to now is 49.8 secs Computing kpt #: 77 total cpu time spent up to now is 50.4 secs Computing kpt #: 78 total cpu time spent up to now is 51.0 secs Computing kpt #: 79 total cpu time spent up to now is 51.6 secs Computing kpt #: 80 total cpu time spent up to now is 52.2 secs Computing kpt #: 81 total cpu time spent up to now is 52.9 secs Computing kpt #: 82 total cpu time spent up to now is 53.6 secs Computing kpt #: 83 total cpu time spent up to now is 54.2 secs Computing kpt #: 84 total cpu time spent up to now is 54.8 secs Computing kpt #: 85 total cpu time spent up to now is 55.4 secs Computing kpt #: 86 total cpu time spent up to now is 56.0 secs Computing kpt #: 87 total cpu time spent up to now is 56.7 secs Computing kpt #: 88 total cpu time spent up to now is 57.4 secs Computing kpt #: 89 total cpu time spent up to now is 58.0 secs Computing kpt #: 90 total cpu time spent up to now is 58.6 secs Computing kpt #: 91 total cpu time spent up to now is 59.2 secs Computing kpt #: 92 total cpu time spent up to now is 59.9 secs Computing kpt #: 93 total cpu time spent up to now is 60.6 secs Computing kpt #: 94 total cpu time spent up to now is 61.2 secs Computing kpt #: 95 total cpu time spent up to now is 61.9 secs Computing kpt #: 96 total cpu time spent up to now is 62.5 secs Computing kpt #: 97 total cpu time spent up to now is 63.2 secs Computing kpt #: 98 total cpu time spent up to now is 63.8 secs Computing kpt #: 99 total cpu time spent up to now is 64.4 secs Computing kpt #: 100 total cpu time spent up to now is 65.1 secs Computing kpt #: 101 total cpu time spent up to now is 65.7 secs Computing kpt #: 102 total cpu time spent up to now is 66.4 secs Computing kpt #: 103 total cpu time spent up to now is 67.0 secs Computing kpt #: 104 total cpu time spent up to now is 67.6 secs Computing kpt #: 105 total cpu time spent up to now is 68.3 secs Computing kpt #: 106 total cpu time spent up to now is 68.9 secs Computing kpt #: 107 total cpu time spent up to now is 69.6 secs Computing kpt #: 108 total cpu time spent up to now is 70.2 secs Computing kpt #: 109 total cpu time spent up to now is 70.8 secs Computing kpt #: 110 total cpu time spent up to now is 71.4 secs Computing kpt #: 111 total cpu time spent up to now is 72.0 secs Computing kpt #: 112 total cpu time spent up to now is 72.7 secs Computing kpt #: 113 total cpu time spent up to now is 73.4 secs Computing kpt #: 114 total cpu time spent up to now is 74.0 secs Computing kpt #: 115 total cpu time spent up to now is 74.6 secs Computing kpt #: 116 total cpu time spent up to now is 75.2 secs Computing kpt #: 117 total cpu time spent up to now is 75.8 secs Computing kpt #: 118 total cpu time spent up to now is 76.4 secs Computing kpt #: 119 total cpu time spent up to now is 77.1 secs Computing kpt #: 120 total cpu time spent up to now is 77.9 secs Computing kpt #: 121 total cpu time spent up to now is 78.7 secs Computing kpt #: 122 total cpu time spent up to now is 79.5 secs Computing kpt #: 123 total cpu time spent up to now is 80.1 secs Computing kpt #: 124 total cpu time spent up to now is 80.6 secs Computing kpt #: 125 total cpu time spent up to now is 81.2 secs Computing kpt #: 126 total cpu time spent up to now is 81.7 secs Computing kpt #: 127 total cpu time spent up to now is 82.3 secs Computing kpt #: 128 total cpu time spent up to now is 82.9 secs Computing kpt #: 129 total cpu time spent up to now is 83.5 secs Computing kpt #: 130 total cpu time spent up to now is 84.0 secs Computing kpt #: 131 total cpu time spent up to now is 84.6 secs Computing kpt #: 132 total cpu time spent up to now is 85.1 secs Computing kpt #: 133 total cpu time spent up to now is 85.7 secs Computing kpt #: 134 total cpu time spent up to now is 86.3 secs Computing kpt #: 135 total cpu time spent up to now is 86.8 secs Computing kpt #: 136 total cpu time spent up to now is 87.4 secs Computing kpt #: 137 total cpu time spent up to now is 87.9 secs Computing kpt #: 138 total cpu time spent up to now is 88.5 secs Computing kpt #: 139 total cpu time spent up to now is 89.1 secs Computing kpt #: 140 total cpu time spent up to now is 89.6 secs Computing kpt #: 141 total cpu time spent up to now is 90.2 secs Computing kpt #: 142 total cpu time spent up to now is 90.7 secs Computing kpt #: 143 total cpu time spent up to now is 91.3 secs Computing kpt #: 144 total cpu time spent up to now is 91.9 secs Computing kpt #: 145 total cpu time spent up to now is 92.5 secs Computing kpt #: 146 total cpu time spent up to now is 93.0 secs Computing kpt #: 147 total cpu time spent up to now is 93.6 secs Computing kpt #: 148 total cpu time spent up to now is 94.1 secs Computing kpt #: 149 total cpu time spent up to now is 94.7 secs Computing kpt #: 150 total cpu time spent up to now is 95.2 secs Computing kpt #: 151 total cpu time spent up to now is 95.8 secs Computing kpt #: 152 total cpu time spent up to now is 96.3 secs Computing kpt #: 153 total cpu time spent up to now is 96.9 secs Computing kpt #: 154 total cpu time spent up to now is 97.4 secs Computing kpt #: 155 total cpu time spent up to now is 97.9 secs Computing kpt #: 156 total cpu time spent up to now is 98.5 secs Computing kpt #: 157 total cpu time spent up to now is 99.1 secs Computing kpt #: 158 total cpu time spent up to now is 99.7 secs Computing kpt #: 159 total cpu time spent up to now is 100.3 secs Computing kpt #: 160 total cpu time spent up to now is 100.9 secs Computing kpt #: 161 total cpu time spent up to now is 101.5 secs Computing kpt #: 162 total cpu time spent up to now is 102.1 secs Computing kpt #: 163 total cpu time spent up to now is 102.6 secs Computing kpt #: 164 total cpu time spent up to now is 103.3 secs Computing kpt #: 165 total cpu time spent up to now is 103.9 secs Computing kpt #: 166 total cpu time spent up to now is 104.6 secs Computing kpt #: 167 total cpu time spent up to now is 105.2 secs Computing kpt #: 168 total cpu time spent up to now is 105.8 secs Computing kpt #: 169 total cpu time spent up to now is 106.4 secs Computing kpt #: 170 total cpu time spent up to now is 107.0 secs Computing kpt #: 171 total cpu time spent up to now is 107.6 secs Computing kpt #: 172 total cpu time spent up to now is 108.2 secs Computing kpt #: 173 total cpu time spent up to now is 108.8 secs Computing kpt #: 174 total cpu time spent up to now is 109.4 secs Computing kpt #: 175 total cpu time spent up to now is 110.1 secs Computing kpt #: 176 total cpu time spent up to now is 110.7 secs Computing kpt #: 177 total cpu time spent up to now is 111.3 secs Computing kpt #: 178 total cpu time spent up to now is 111.9 secs Computing kpt #: 179 total cpu time spent up to now is 112.5 secs Computing kpt #: 180 total cpu time spent up to now is 113.1 secs Computing kpt #: 181 total cpu time spent up to now is 113.6 secs Computing kpt #: 182 total cpu time spent up to now is 114.2 secs Computing kpt #: 183 total cpu time spent up to now is 114.7 secs Computing kpt #: 184 total cpu time spent up to now is 115.2 secs Computing kpt #: 185 total cpu time spent up to now is 115.8 secs Computing kpt #: 186 total cpu time spent up to now is 116.3 secs Computing kpt #: 187 total cpu time spent up to now is 116.9 secs Computing kpt #: 188 total cpu time spent up to now is 117.4 secs Computing kpt #: 189 total cpu time spent up to now is 118.0 secs Computing kpt #: 190 total cpu time spent up to now is 118.5 secs Computing kpt #: 191 total cpu time spent up to now is 119.1 secs Computing kpt #: 192 total cpu time spent up to now is 119.6 secs Computing kpt #: 193 total cpu time spent up to now is 120.1 secs Computing kpt #: 194 total cpu time spent up to now is 120.7 secs Computing kpt #: 195 total cpu time spent up to now is 121.2 secs Computing kpt #: 196 total cpu time spent up to now is 121.7 secs Computing kpt #: 197 total cpu time spent up to now is 122.3 secs Computing kpt #: 198 total cpu time spent up to now is 122.8 secs Computing kpt #: 199 total cpu time spent up to now is 123.4 secs Computing kpt #: 200 total cpu time spent up to now is 123.9 secs Computing kpt #: 201 total cpu time spent up to now is 124.4 secs Computing kpt #: 202 total cpu time spent up to now is 125.0 secs Computing kpt #: 203 total cpu time spent up to now is 125.5 secs Computing kpt #: 204 total cpu time spent up to now is 126.1 secs Computing kpt #: 205 total cpu time spent up to now is 126.7 secs Computing kpt #: 206 total cpu time spent up to now is 127.2 secs Computing kpt #: 207 total cpu time spent up to now is 127.8 secs Computing kpt #: 208 total cpu time spent up to now is 128.3 secs Computing kpt #: 209 total cpu time spent up to now is 128.9 secs Computing kpt #: 210 total cpu time spent up to now is 129.4 secs Computing kpt #: 211 total cpu time spent up to now is 130.0 secs Computing kpt #: 212 total cpu time spent up to now is 130.5 secs Computing kpt #: 213 total cpu time spent up to now is 131.0 secs Computing kpt #: 214 total cpu time spent up to now is 131.6 secs Computing kpt #: 215 total cpu time spent up to now is 132.2 secs Computing kpt #: 216 total cpu time spent up to now is 132.7 secs Computing kpt #: 217 total cpu time spent up to now is 133.3 secs Computing kpt #: 218 total cpu time spent up to now is 133.9 secs Computing kpt #: 219 total cpu time spent up to now is 134.4 secs Computing kpt #: 220 total cpu time spent up to now is 135.0 secs Computing kpt #: 221 total cpu time spent up to now is 135.6 secs Computing kpt #: 222 total cpu time spent up to now is 136.2 secs Computing kpt #: 223 total cpu time spent up to now is 136.9 secs Computing kpt #: 224 total cpu time spent up to now is 137.5 secs Computing kpt #: 225 total cpu time spent up to now is 138.2 secs Computing kpt #: 226 total cpu time spent up to now is 138.8 secs Computing kpt #: 227 total cpu time spent up to now is 139.5 secs Computing kpt #: 228 total cpu time spent up to now is 140.1 secs Computing kpt #: 229 total cpu time spent up to now is 140.8 secs Computing kpt #: 230 total cpu time spent up to now is 141.4 secs Computing kpt #: 231 total cpu time spent up to now is 142.0 secs Computing kpt #: 232 total cpu time spent up to now is 142.6 secs Computing kpt #: 233 total cpu time spent up to now is 143.2 secs Computing kpt #: 234 total cpu time spent up to now is 143.7 secs Computing kpt #: 235 total cpu time spent up to now is 144.3 secs Computing kpt #: 236 total cpu time spent up to now is 144.9 secs Computing kpt #: 237 total cpu time spent up to now is 145.5 secs Computing kpt #: 238 total cpu time spent up to now is 146.1 secs Computing kpt #: 239 total cpu time spent up to now is 146.7 secs Computing kpt #: 240 total cpu time spent up to now is 147.2 secs Computing kpt #: 241 total cpu time spent up to now is 147.8 secs Computing kpt #: 242 total cpu time spent up to now is 148.3 secs Computing kpt #: 243 total cpu time spent up to now is 148.9 secs Computing kpt #: 244 total cpu time spent up to now is 149.5 secs Computing kpt #: 245 total cpu time spent up to now is 150.0 secs Computing kpt #: 246 total cpu time spent up to now is 150.6 secs Computing kpt #: 247 total cpu time spent up to now is 151.2 secs Computing kpt #: 248 total cpu time spent up to now is 151.7 secs Computing kpt #: 249 total cpu time spent up to now is 152.3 secs Computing kpt #: 250 total cpu time spent up to now is 152.9 secs Computing kpt #: 251 total cpu time spent up to now is 153.5 secs Computing kpt #: 252 total cpu time spent up to now is 154.1 secs Computing kpt #: 253 total cpu time spent up to now is 154.7 secs Computing kpt #: 254 total cpu time spent up to now is 155.2 secs Computing kpt #: 255 total cpu time spent up to now is 155.8 secs Computing kpt #: 256 total cpu time spent up to now is 156.4 secs Computing kpt #: 257 total cpu time spent up to now is 157.0 secs Computing kpt #: 258 total cpu time spent up to now is 157.6 secs Computing kpt #: 259 total cpu time spent up to now is 158.3 secs Computing kpt #: 260 total cpu time spent up to now is 159.0 secs Computing kpt #: 261 total cpu time spent up to now is 159.6 secs Computing kpt #: 262 total cpu time spent up to now is 160.3 secs Computing kpt #: 263 total cpu time spent up to now is 160.9 secs Computing kpt #: 264 total cpu time spent up to now is 161.6 secs Computing kpt #: 265 total cpu time spent up to now is 162.2 secs Computing kpt #: 266 total cpu time spent up to now is 162.9 secs Computing kpt #: 267 total cpu time spent up to now is 163.6 secs Computing kpt #: 268 total cpu time spent up to now is 164.2 secs Computing kpt #: 269 total cpu time spent up to now is 164.8 secs Computing kpt #: 270 total cpu time spent up to now is 165.5 secs Computing kpt #: 271 total cpu time spent up to now is 166.1 secs Computing kpt #: 272 total cpu time spent up to now is 166.8 secs Computing kpt #: 273 total cpu time spent up to now is 167.4 secs Computing kpt #: 274 total cpu time spent up to now is 168.1 secs Computing kpt #: 275 total cpu time spent up to now is 168.7 secs Computing kpt #: 276 total cpu time spent up to now is 169.2 secs Computing kpt #: 277 total cpu time spent up to now is 169.8 secs Computing kpt #: 278 total cpu time spent up to now is 170.3 secs Computing kpt #: 279 total cpu time spent up to now is 170.9 secs Computing kpt #: 280 total cpu time spent up to now is 171.5 secs Computing kpt #: 281 total cpu time spent up to now is 172.0 secs Computing kpt #: 282 total cpu time spent up to now is 172.6 secs Computing kpt #: 283 total cpu time spent up to now is 173.2 secs Computing kpt #: 284 total cpu time spent up to now is 173.8 secs Computing kpt #: 285 total cpu time spent up to now is 174.3 secs Computing kpt #: 286 total cpu time spent up to now is 175.0 secs Computing kpt #: 287 total cpu time spent up to now is 175.6 secs Computing kpt #: 288 total cpu time spent up to now is 176.2 secs Computing kpt #: 289 total cpu time spent up to now is 176.7 secs Computing kpt #: 290 total cpu time spent up to now is 177.3 secs Computing kpt #: 291 total cpu time spent up to now is 177.8 secs Computing kpt #: 292 total cpu time spent up to now is 178.5 secs Computing kpt #: 293 total cpu time spent up to now is 179.1 secs Computing kpt #: 294 total cpu time spent up to now is 179.8 secs Computing kpt #: 295 total cpu time spent up to now is 180.4 secs Computing kpt #: 296 total cpu time spent up to now is 180.9 secs Computing kpt #: 297 total cpu time spent up to now is 181.5 secs Computing kpt #: 298 total cpu time spent up to now is 182.1 secs Computing kpt #: 299 total cpu time spent up to now is 182.7 secs Computing kpt #: 300 total cpu time spent up to now is 183.3 secs Computing kpt #: 301 total cpu time spent up to now is 183.8 secs Computing kpt #: 302 total cpu time spent up to now is 184.4 secs Computing kpt #: 303 total cpu time spent up to now is 185.0 secs Computing kpt #: 304 total cpu time spent up to now is 185.5 secs Computing kpt #: 305 total cpu time spent up to now is 186.1 secs Computing kpt #: 306 total cpu time spent up to now is 186.7 secs Computing kpt #: 307 total cpu time spent up to now is 187.2 secs Computing kpt #: 308 total cpu time spent up to now is 187.8 secs Computing kpt #: 309 total cpu time spent up to now is 188.3 secs Computing kpt #: 310 total cpu time spent up to now is 188.9 secs Computing kpt #: 311 total cpu time spent up to now is 189.5 secs Computing kpt #: 312 total cpu time spent up to now is 190.1 secs Computing kpt #: 313 total cpu time spent up to now is 190.7 secs Computing kpt #: 314 total cpu time spent up to now is 191.2 secs Computing kpt #: 315 total cpu time spent up to now is 191.8 secs Computing kpt #: 316 total cpu time spent up to now is 192.3 secs Computing kpt #: 317 total cpu time spent up to now is 192.9 secs Computing kpt #: 318 total cpu time spent up to now is 193.4 secs Computing kpt #: 319 total cpu time spent up to now is 194.0 secs Computing kpt #: 320 total cpu time spent up to now is 194.5 secs Computing kpt #: 321 total cpu time spent up to now is 195.1 secs Computing kpt #: 322 total cpu time spent up to now is 195.7 secs Computing kpt #: 323 total cpu time spent up to now is 196.2 secs Computing kpt #: 324 total cpu time spent up to now is 196.8 secs Computing kpt #: 325 total cpu time spent up to now is 197.3 secs Computing kpt #: 326 total cpu time spent up to now is 197.9 secs Computing kpt #: 327 total cpu time spent up to now is 198.4 secs Computing kpt #: 328 total cpu time spent up to now is 199.0 secs Computing kpt #: 329 total cpu time spent up to now is 199.5 secs Computing kpt #: 330 total cpu time spent up to now is 200.1 secs Computing kpt #: 331 total cpu time spent up to now is 200.7 secs Computing kpt #: 332 total cpu time spent up to now is 201.3 secs Computing kpt #: 333 total cpu time spent up to now is 201.8 secs Computing kpt #: 334 total cpu time spent up to now is 202.4 secs Computing kpt #: 335 total cpu time spent up to now is 203.0 secs Computing kpt #: 336 total cpu time spent up to now is 203.6 secs Computing kpt #: 337 total cpu time spent up to now is 204.1 secs Computing kpt #: 338 total cpu time spent up to now is 204.7 secs Computing kpt #: 339 total cpu time spent up to now is 205.3 secs Computing kpt #: 340 total cpu time spent up to now is 205.9 secs Computing kpt #: 341 total cpu time spent up to now is 206.4 secs Computing kpt #: 342 total cpu time spent up to now is 207.0 secs Computing kpt #: 343 total cpu time spent up to now is 207.6 secs Computing kpt #: 344 total cpu time spent up to now is 208.2 secs Computing kpt #: 345 total cpu time spent up to now is 208.8 secs Computing kpt #: 346 total cpu time spent up to now is 209.3 secs Computing kpt #: 347 total cpu time spent up to now is 209.9 secs Computing kpt #: 348 total cpu time spent up to now is 210.5 secs Computing kpt #: 349 total cpu time spent up to now is 211.1 secs Computing kpt #: 350 total cpu time spent up to now is 211.6 secs Computing kpt #: 351 total cpu time spent up to now is 212.2 secs Computing kpt #: 352 total cpu time spent up to now is 212.7 secs Computing kpt #: 353 total cpu time spent up to now is 213.3 secs Computing kpt #: 354 total cpu time spent up to now is 213.8 secs ethr = 2.50E-08, avg # of iterations = 20.6 total cpu time spent up to now is 213.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5829 PWs) bands (ev): -19.5102 -19.5102 -19.4823 -19.4823 -13.9676 -13.9676 -13.9605 -13.9605 -8.9727 -8.9727 -8.7816 -8.7816 -8.7589 -8.7589 -8.7360 -8.7360 -7.5099 -7.5099 -7.4401 -7.4401 -4.3838 -4.3838 -4.1571 -4.1571 -2.9578 -2.9578 -2.8034 -2.8034 -2.6324 -2.6324 -2.3060 -2.3060 -1.2402 -1.2402 -0.9136 -0.9136 -0.8689 -0.8689 -0.4247 -0.4247 5.9318 5.9318 5.9458 5.9458 6.9372 6.9372 7.1490 7.1490 k = 0.0093 0.0105-0.0000 ( 5839 PWs) bands (ev): -19.5101 -19.5101 -19.4822 -19.4822 -13.9680 -13.9680 -13.9604 -13.9604 -8.9727 -8.9726 -8.7818 -8.7818 -8.7591 -8.7591 -8.7360 -8.7360 -7.5097 -7.5095 -7.4398 -7.4398 -4.3842 -4.3835 -4.1568 -4.1566 -2.9580 -2.9580 -2.8042 -2.8029 -2.6326 -2.6324 -2.3060 -2.3060 -1.2419 -1.2412 -0.9146 -0.9138 -0.8701 -0.8688 -0.4247 -0.4247 5.9245 5.9246 5.9552 5.9556 6.9360 6.9368 7.1476 7.1486 k = 0.0186 0.0210-0.0000 ( 5843 PWs) bands (ev): -19.5100 -19.5100 -19.4821 -19.4821 -13.9691 -13.9691 -13.9599 -13.9599 -8.9724 -8.9723 -8.7825 -8.7824 -8.7596 -8.7595 -8.7359 -8.7359 -7.5090 -7.5085 -7.4388 -7.4388 -4.3848 -4.3833 -4.1555 -4.1551 -2.9587 -2.9586 -2.8051 -2.8025 -2.6329 -2.6326 -2.3060 -2.3059 -1.2461 -1.2448 -0.9167 -0.9151 -0.8722 -0.8697 -0.4246 -0.4244 5.9151 5.9153 5.9718 5.9723 6.9332 6.9348 7.1446 7.1467 k = 0.0278 0.0315-0.0000 ( 5841 PWs) bands (ev): -19.5097 -19.5097 -19.4819 -19.4819 -13.9707 -13.9707 -13.9594 -13.9594 -8.9720 -8.9718 -8.7835 -8.7835 -8.7604 -8.7603 -8.7359 -8.7358 -7.5077 -7.5069 -7.4372 -7.4372 -4.3855 -4.3833 -4.1534 -4.1527 -2.9598 -2.9597 -2.8063 -2.8023 -2.6335 -2.6331 -2.3059 -2.3058 -1.2529 -1.2509 -0.9199 -0.9175 -0.8752 -0.8716 -0.4243 -0.4241 5.9074 5.9076 5.9914 5.9921 6.9288 6.9312 7.1402 7.1434 k = 0.0371 0.0420-0.0000 ( 5839 PWs) bands (ev): -19.5093 -19.5093 -19.4816 -19.4816 -13.9726 -13.9726 -13.9589 -13.9589 -8.9714 -8.9712 -8.7850 -8.7849 -8.7615 -8.7614 -8.7357 -8.7356 -7.5058 -7.5048 -7.4350 -7.4350 -4.3862 -4.3833 -4.1504 -4.1494 -2.9613 -2.9612 -2.8076 -2.8023 -2.6342 -2.6337 -2.3057 -2.3056 -1.2621 -1.2595 -0.9243 -0.9212 -0.8792 -0.8744 -0.4239 -0.4236 5.9017 5.9020 6.0137 6.0146 6.9227 6.9260 7.1349 7.1392 k = 0.0464 0.0525-0.0000 ( 5836 PWs) bands (ev): -19.5088 -19.5088 -19.4812 -19.4812 -13.9748 -13.9748 -13.9586 -13.9586 -8.9705 -8.9703 -8.7868 -8.7867 -8.7629 -8.7628 -8.7356 -8.7354 -7.5035 -7.5023 -7.4322 -7.4322 -4.3869 -4.3834 -4.1467 -4.1454 -2.9632 -2.9631 -2.8091 -2.8025 -2.6351 -2.6344 -2.3056 -2.3054 -1.2735 -1.2703 -0.9297 -0.9261 -0.8839 -0.8782 -0.4233 -0.4230 5.8979 5.8983 6.0385 6.0397 6.9147 6.9189 7.1292 7.1347 k = 0.0557 0.0630-0.0000 ( 5832 PWs) bands (ev): -19.5082 -19.5082 -19.4808 -19.4808 -13.9771 -13.9771 -13.9584 -13.9583 -8.9695 -8.9693 -8.7890 -8.7890 -8.7646 -8.7645 -8.7354 -8.7352 -7.5007 -7.4993 -7.4288 -7.4288 -4.3875 -4.3834 -4.1422 -4.1407 -2.9655 -2.9654 -2.8108 -2.8029 -2.6362 -2.6353 -2.3055 -2.3052 -1.2870 -1.2832 -0.9363 -0.9322 -0.8893 -0.8829 -0.4227 -0.4224 5.8958 5.8964 6.0658 6.0673 6.9050 6.9099 7.1239 7.1305 k = 0.0649 0.0735-0.0000 ( 5836 PWs) bands (ev): -19.5076 -19.5075 -19.4802 -19.4802 -13.9797 -13.9797 -13.9583 -13.9583 -8.9684 -8.9681 -8.7917 -8.7916 -8.7667 -8.7666 -8.7351 -8.7350 -7.4976 -7.4960 -7.4250 -7.4250 -4.3879 -4.3834 -4.1371 -4.1352 -2.9681 -2.9680 -2.8127 -2.8035 -2.6374 -2.6364 -2.3054 -2.3050 -1.3023 -1.2980 -0.9440 -0.9396 -0.8954 -0.8885 -0.4220 -0.4216 5.8954 5.8961 6.0953 6.0972 6.8935 6.8991 7.1194 7.1271 k = 0.0742 0.0840-0.0000 ( 5828 PWs) bands (ev): -19.5068 -19.5068 -19.4796 -19.4796 -13.9823 -13.9823 -13.9584 -13.9584 -8.9670 -8.9667 -8.7947 -8.7946 -8.7690 -8.7689 -8.7349 -8.7347 -7.4943 -7.4925 -7.4208 -7.4208 -4.3880 -4.3831 -4.1315 -4.1293 -2.9711 -2.9709 -2.8147 -2.8043 -2.6388 -2.6376 -2.3053 -2.3049 -1.3193 -1.3145 -0.9528 -0.9482 -0.9021 -0.8948 -0.4213 -0.4208 5.8964 5.8973 6.1268 6.1291 6.8804 6.8867 7.1166 7.1253 k = 0.0835 0.0945-0.0000 ( 5828 PWs) bands (ev): -19.5059 -19.5059 -19.4789 -19.4789 -13.9851 -13.9851 -13.9586 -13.9586 -8.9654 -8.9651 -8.7981 -8.7980 -8.7717 -8.7715 -8.7345 -8.7343 -7.4908 -7.4888 -7.4162 -7.4161 -4.3878 -4.3826 -4.1253 -4.1228 -2.9743 -2.9742 -2.8169 -2.8053 -2.6402 -2.6389 -2.3054 -2.3048 -1.3376 -1.3323 -0.9626 -0.9579 -0.9094 -0.9019 -0.4205 -0.4200 5.8987 5.8998 6.1601 6.1628 6.8662 6.8730 7.1158 7.1253 k = 0.0928 0.1050-0.0000 ( 5822 PWs) bands (ev): -19.5050 -19.5050 -19.4782 -19.4782 -13.9879 -13.9879 -13.9590 -13.9590 -8.9637 -8.9633 -8.8018 -8.8017 -8.7746 -8.7745 -8.7342 -8.7339 -7.4872 -7.4850 -7.4113 -7.4113 -4.3873 -4.3817 -4.1188 -4.1159 -2.9778 -2.9776 -2.8192 -2.8064 -2.6417 -2.6403 -2.3055 -2.3047 -1.3571 -1.3513 -0.9733 -0.9685 -0.9173 -0.9097 -0.4197 -0.4192 5.9021 5.9034 6.1947 6.1978 6.8516 6.8587 7.1174 7.1277 k = 0.1020 0.1155-0.0000 ( 5820 PWs) bands (ev): -19.5039 -19.5039 -19.4774 -19.4773 -13.9907 -13.9907 -13.9595 -13.9595 -8.9617 -8.9614 -8.8059 -8.8058 -8.7778 -8.7777 -8.7338 -8.7335 -7.4836 -7.4813 -7.4062 -7.4062 -4.3862 -4.3805 -4.1119 -4.1087 -2.9815 -2.9813 -2.8217 -2.8077 -2.6433 -2.6418 -2.3058 -2.3048 -1.3774 -1.3712 -0.9848 -0.9801 -0.9257 -0.9181 -0.4189 -0.4184 5.9064 5.9078 6.2300 6.2335 6.8375 6.8448 7.1217 7.1326 k = 0.1113 0.1260-0.0000 ( 5834 PWs) bands (ev): -19.5029 -19.5029 -19.4765 -19.4765 -13.9936 -13.9936 -13.9601 -13.9601 -8.9597 -8.9592 -8.8103 -8.8103 -8.7814 -8.7812 -8.7335 -8.7332 -7.4801 -7.4777 -7.4011 -7.4011 -4.3847 -4.3789 -4.1047 -4.1012 -2.9854 -2.9852 -2.8242 -2.8091 -2.6450 -2.6434 -2.3062 -2.3049 -1.3983 -1.3917 -0.9971 -0.9923 -0.9348 -0.9272 -0.4181 -0.4176 5.9114 5.9129 6.2651 6.2691 6.8250 6.8324 7.1287 7.1402 k = 0.1206 0.1365-0.0000 ( 5822 PWs) bands (ev): -19.5017 -19.5017 -19.4756 -19.4755 -13.9964 -13.9964 -13.9607 -13.9607 -8.9574 -8.9569 -8.8151 -8.8150 -8.7851 -8.7850 -8.7330 -8.7327 -7.4768 -7.4743 -7.3959 -7.3959 -4.3827 -4.3769 -4.0973 -4.0935 -2.9893 -2.9892 -2.8267 -2.8105 -2.6466 -2.6449 -2.3068 -2.3052 -1.4196 -1.4126 -1.0098 -1.0050 -0.9445 -0.9369 -0.4174 -0.4168 5.9167 5.9184 6.2990 6.3034 6.8157 6.8230 7.1386 7.1506 k = 0.1299 0.1470-0.0000 ( 5832 PWs) bands (ev): -19.5005 -19.5005 -19.4746 -19.4746 -13.9992 -13.9992 -13.9614 -13.9614 -8.9549 -8.9545 -8.8201 -8.8200 -8.7891 -8.7890 -8.7326 -8.7324 -7.4737 -7.4713 -7.3909 -7.3909 -4.3801 -4.3744 -4.0897 -4.0857 -2.9935 -2.9933 -2.8291 -2.8120 -2.6483 -2.6465 -2.3075 -2.3057 -1.4410 -1.4335 -1.0229 -1.0181 -0.9547 -0.9471 -0.4167 -0.4162 5.9222 5.9240 6.3305 6.3353 6.8112 6.8185 7.1513 7.1637 k = 0.1391 0.1574-0.0000 ( 5834 PWs) bands (ev): -19.4992 -19.4992 -19.4736 -19.4736 -14.0019 -14.0019 -13.9622 -13.9622 -8.9523 -8.9519 -8.8254 -8.8253 -8.7933 -8.7932 -8.7322 -8.7319 -7.4711 -7.4686 -7.3861 -7.3861 -4.3770 -4.3714 -4.0821 -4.0779 -2.9976 -2.9974 -2.8314 -2.8135 -2.6499 -2.6480 -2.3085 -2.3064 -1.4623 -1.4543 -1.0362 -1.0313 -0.9656 -0.9580 -0.4162 -0.4157 5.9274 5.9293 6.3582 6.3635 6.8133 6.8205 7.1669 7.1798 k = 0.1484 0.1679-0.0000 ( 5830 PWs) bands (ev): -19.4979 -19.4979 -19.4725 -19.4725 -14.0045 -14.0045 -13.9629 -13.9629 -8.9496 -8.9491 -8.8310 -8.8309 -8.7978 -8.7977 -8.7318 -8.7315 -7.4688 -7.4664 -7.3817 -7.3817 -4.3734 -4.3680 -4.0744 -4.0701 -3.0018 -3.0016 -2.8335 -2.8148 -2.6515 -2.6495 -2.3096 -2.3072 -1.4831 -1.4747 -1.0496 -1.0445 -0.9770 -0.9693 -0.4158 -0.4152 5.9320 5.9341 6.3810 6.3867 6.8234 6.8306 7.1855 7.1988 k = 0.1577 0.1784-0.0000 ( 5846 PWs) bands (ev): -19.4966 -19.4966 -19.4715 -19.4715 -14.0069 -14.0069 -13.9636 -13.9636 -8.9467 -8.9462 -8.8368 -8.8367 -8.8025 -8.8024 -8.7313 -8.7310 -7.4672 -7.4647 -7.3778 -7.3777 -4.3693 -4.3641 -4.0668 -4.0624 -3.0059 -3.0057 -2.8353 -2.8159 -2.6530 -2.6510 -2.3110 -2.3083 -1.5034 -1.4945 -1.0628 -1.0576 -0.9890 -0.9812 -0.4155 -0.4150 5.9356 5.9378 6.3986 6.4045 6.8424 6.8495 7.2071 7.2208 k = 0.1670 0.1889-0.0000 ( 5842 PWs) bands (ev): -19.4952 -19.4952 -19.4704 -19.4704 -14.0092 -14.0092 -13.9643 -13.9643 -8.9437 -8.9432 -8.8428 -8.8427 -8.8074 -8.8073 -8.7309 -8.7306 -7.4660 -7.4636 -7.3744 -7.3744 -4.3647 -4.3599 -4.0593 -4.0548 -3.0100 -3.0097 -2.8366 -2.8167 -2.6544 -2.6523 -2.3126 -2.3095 -1.5228 -1.5135 -1.0758 -1.0703 -1.0015 -0.9936 -0.4154 -0.4149 5.9379 5.9401 6.4116 6.4177 6.8699 6.8771 7.2318 7.2458 k = 0.1762 0.1994-0.0000 ( 5850 PWs) bands (ev): -19.4938 -19.4938 -19.4693 -19.4693 -14.0112 -14.0112 -13.9649 -13.9649 -8.9406 -8.9401 -8.8491 -8.8490 -8.8125 -8.8124 -8.7304 -8.7301 -7.4655 -7.4631 -7.3718 -7.3717 -4.3597 -4.3553 -4.0519 -4.0475 -3.0139 -3.0137 -2.8374 -2.8171 -2.6557 -2.6536 -2.3144 -2.3110 -1.5411 -1.5314 -1.0883 -1.0825 -1.0145 -1.0063 -0.4155 -0.4150 5.9384 5.9407 6.4212 6.4274 6.9048 6.9122 7.2596 7.2740 k = 0.1855 0.2099-0.0000 ( 5862 PWs) bands (ev): -19.4924 -19.4924 -19.4681 -19.4681 -14.0131 -14.0131 -13.9655 -13.9655 -8.9374 -8.9368 -8.8555 -8.8554 -8.8177 -8.8176 -8.7300 -8.7297 -7.4656 -7.4633 -7.3699 -7.3699 -4.3544 -4.3503 -4.0447 -4.0404 -3.0178 -3.0175 -2.8376 -2.8170 -2.6569 -2.6548 -2.3164 -2.3127 -1.5582 -1.5480 -1.1004 -1.0941 -1.0281 -1.0195 -0.4158 -0.4152 5.9368 5.9392 6.4292 6.4354 6.9454 6.9530 7.2908 7.3054 k = 0.1948 0.2204-0.0000 ( 5866 PWs) bands (ev): -19.4910 -19.4910 -19.4670 -19.4670 -14.0147 -14.0147 -13.9660 -13.9660 -8.9341 -8.9336 -8.8621 -8.8620 -8.8231 -8.8230 -8.7296 -8.7293 -7.4664 -7.4643 -7.3689 -7.3689 -4.3487 -4.3452 -4.0377 -4.0336 -3.0214 -3.0212 -2.8371 -2.8163 -2.6580 -2.6558 -2.3187 -2.3147 -1.5738 -1.5632 -1.1120 -1.1050 -1.0420 -1.0329 -0.4163 -0.4157 5.9331 5.9355 6.4373 6.4434 6.9899 6.9976 7.3254 7.3403 k = 0.2041 0.2309-0.0000 ( 5878 PWs) bands (ev): -19.4896 -19.4896 -19.4659 -19.4659 -14.0160 -14.0160 -13.9663 -13.9663 -8.9308 -8.9302 -8.8689 -8.8688 -8.8287 -8.8285 -8.7292 -8.7288 -7.4679 -7.4659 -7.3689 -7.3689 -4.3429 -4.3398 -4.0311 -4.0273 -3.0249 -3.0247 -2.8357 -2.8149 -2.6589 -2.6567 -2.3213 -2.3169 -1.5879 -1.5768 -1.1229 -1.1152 -1.0564 -1.0466 -0.4170 -0.4165 5.9272 5.9295 6.4467 6.4527 7.0365 7.0444 7.3637 7.3788 k = 0.2133 0.2414-0.0000 ( 5884 PWs) bands (ev): -19.4882 -19.4882 -19.4647 -19.4647 -14.0171 -14.0171 -13.9666 -13.9666 -8.9274 -8.9268 -8.8757 -8.8756 -8.8343 -8.8342 -8.7288 -8.7284 -7.4701 -7.4683 -7.3699 -7.3699 -4.3368 -4.3344 -4.0248 -4.0213 -3.0282 -3.0279 -2.8333 -2.8127 -2.6597 -2.6574 -2.3241 -2.3194 -1.6002 -1.5887 -1.1332 -1.1245 -1.0711 -1.0603 -0.4179 -0.4174 5.9192 5.9215 6.4584 6.4642 7.0838 7.0917 7.4059 7.4209 k = 0.2226 0.2519-0.0000 ( 5880 PWs) bands (ev): -19.4868 -19.4868 -19.4636 -19.4636 -14.0178 -14.0178 -13.9667 -13.9667 -8.9240 -8.9234 -8.8826 -8.8825 -8.8400 -8.8399 -8.7283 -8.7280 -7.4731 -7.4714 -7.3720 -7.3719 -4.3307 -4.3288 -4.0188 -4.0157 -3.0312 -3.0309 -2.8300 -2.8096 -2.6603 -2.6580 -2.3272 -2.3222 -1.6105 -1.5987 -1.1428 -1.1328 -1.0860 -1.0740 -0.4191 -0.4186 5.9095 5.9117 6.4727 6.4783 7.1303 7.1383 7.4520 7.4668 k = 0.2319 0.2624-0.0000 ( 5876 PWs) bands (ev): -19.4854 -19.4854 -19.4625 -19.4625 -14.0183 -14.0183 -13.9666 -13.9666 -8.9206 -8.9200 -8.8896 -8.8895 -8.8458 -8.8457 -8.7280 -8.7276 -7.4768 -7.4753 -7.3752 -7.3751 -4.3245 -4.3233 -4.0133 -4.0106 -3.0339 -3.0337 -2.8256 -2.8057 -2.6607 -2.6584 -2.3306 -2.3253 -1.6188 -1.6067 -1.1520 -1.1402 -1.1013 -1.0874 -0.4205 -0.4200 5.8985 5.9007 6.4899 6.4953 7.1751 7.1831 7.5018 7.5163 k = 0.2412 0.2729-0.0000 ( 5876 PWs) bands (ev): -19.4840 -19.4840 -19.4614 -19.4613 -14.0184 -14.0184 -13.9665 -13.9665 -8.9172 -8.9167 -8.8966 -8.8965 -8.8516 -8.8515 -8.7276 -8.7272 -7.4812 -7.4799 -7.3796 -7.3794 -4.3183 -4.3178 -4.0081 -4.0060 -3.0364 -3.0361 -2.8202 -2.8007 -2.6610 -2.6586 -2.3343 -2.3287 -1.6250 -1.6126 -1.1609 -1.1467 -1.1166 -1.1004 -0.4222 -0.4217 5.8868 5.8889 6.5098 6.5150 7.2174 7.2252 7.5550 7.5690 k = 0.2504 0.2834-0.0000 ( 5868 PWs) bands (ev): -19.4827 -19.4827 -19.4603 -19.4603 -14.0183 -14.0183 -13.9661 -13.9661 -8.9139 -8.9135 -8.9037 -8.9035 -8.8575 -8.8573 -8.7272 -8.7268 -7.4863 -7.4852 -7.3850 -7.3849 -4.3123 -4.3122 -4.0034 -4.0018 -3.0386 -3.0383 -2.8138 -2.7949 -2.6611 -2.6587 -2.3384 -2.3325 -1.6290 -1.6163 -1.1698 -1.1522 -1.1320 -1.1124 -0.4241 -0.4236 5.8748 5.8769 6.5325 6.5374 7.2564 7.2642 7.6109 7.6244 k = 0.2597 0.2939-0.0000 ( 5866 PWs) bands (ev): -19.4814 -19.4814 -19.4592 -19.4592 -14.0178 -14.0178 -13.9656 -13.9656 -8.9119 -8.9112 -8.9102 -8.9089 -8.8633 -8.8632 -8.7268 -8.7265 -7.4921 -7.4911 -7.3917 -7.3915 -4.3069 -4.3061 -3.9992 -3.9981 -3.0406 -3.0402 -2.8063 -2.7881 -2.6611 -2.6586 -2.3428 -2.3366 -1.6306 -1.6178 -1.1790 -1.1571 -1.1471 -1.1232 -0.4262 -0.4257 5.8633 5.8652 6.5575 6.5622 7.2917 7.2996 7.6684 7.6816 k = 0.2690 0.3044-0.0000 ( 5870 PWs) bands (ev): -19.4801 -19.4801 -19.4582 -19.4582 -14.0170 -14.0169 -13.9650 -13.9650 -8.9180 -8.9179 -8.9075 -8.9067 -8.8692 -8.8690 -8.7265 -8.7261 -7.4986 -7.4977 -7.3994 -7.3992 -4.3017 -4.3002 -3.9955 -3.9949 -3.0422 -3.0419 -2.7978 -2.7804 -2.6609 -2.6583 -2.3476 -2.3412 -1.6300 -1.6170 -1.1889 -1.1654 -1.1578 -1.1323 -0.4286 -0.4281 5.8525 5.8544 6.5846 6.5891 7.3228 7.3310 7.7264 7.7393 k = 0.2783 0.3149-0.0000 ( 5862 PWs) bands (ev): -19.4789 -19.4789 -19.4571 -19.4571 -14.0158 -14.0158 -13.9643 -13.9643 -8.9249 -8.9249 -8.9045 -8.9038 -8.8749 -8.8747 -8.7261 -8.7257 -7.5056 -7.5049 -7.4082 -7.4080 -4.2964 -4.2943 -3.9922 -3.9921 -3.0435 -3.0432 -2.7885 -2.7719 -2.6605 -2.6579 -2.3527 -2.3461 -1.6271 -1.6140 -1.1998 -1.1799 -1.1613 -1.1395 -0.4311 -0.4307 5.8430 5.8448 6.6135 6.6177 7.3494 7.3580 7.7834 7.7963 k = 0.2875 0.3254-0.0000 ( 5866 PWs) bands (ev): -19.4777 -19.4777 -19.4562 -19.4562 -14.0144 -14.0144 -13.9634 -13.9634 -8.9319 -8.9318 -8.9018 -8.9010 -8.8805 -8.8802 -8.7258 -8.7254 -7.5132 -7.5127 -7.4179 -7.4177 -4.2913 -4.2885 -3.9898 -3.9894 -3.0446 -3.0443 -2.7784 -2.7626 -2.6601 -2.6573 -2.3583 -2.3515 -1.6218 -1.6088 -1.2116 -1.1951 -1.1630 -1.1446 -0.4338 -0.4334 5.8352 5.8369 6.6440 6.6479 7.3709 7.3801 7.8373 7.8505 k = 0.2968 0.3359-0.0000 ( 5870 PWs) bands (ev): -19.4766 -19.4766 -19.4552 -19.4552 -14.0127 -14.0127 -13.9623 -13.9623 -8.9387 -8.9387 -8.8994 -8.8986 -8.8858 -8.8855 -8.7255 -8.7252 -7.5213 -7.5209 -7.4286 -7.4284 -4.2862 -4.2827 -3.9880 -3.9871 -3.0454 -3.0450 -2.7676 -2.7527 -2.6595 -2.6567 -2.3643 -2.3574 -1.6143 -1.6014 -1.2241 -1.2103 -1.1636 -1.1479 -0.4368 -0.4363 5.8294 5.8310 6.6756 6.6792 7.3871 7.3970 7.8862 7.9000 k = 0.3061 0.3464-0.0000 ( 5874 PWs) bands (ev): -19.4755 -19.4755 -19.4543 -19.4543 -14.0107 -14.0107 -13.9612 -13.9612 -8.9454 -8.9454 -8.8983 -8.8974 -8.8900 -8.8895 -8.7252 -8.7249 -7.5298 -7.5296 -7.4400 -7.4398 -4.2810 -4.2770 -3.9866 -3.9853 -3.0459 -3.0455 -2.7563 -2.7423 -2.6588 -2.6558 -2.3706 -2.3637 -1.6047 -1.5919 -1.2372 -1.2253 -1.1635 -1.1498 -0.4398 -0.4394 5.8259 5.8274 6.7081 6.7114 7.3974 7.4081 7.9281 7.9427 k = 0.3154 0.3569-0.0000 ( 5884 PWs) bands (ev): -19.4745 -19.4745 -19.4535 -19.4535 -14.0084 -14.0084 -13.9600 -13.9600 -8.9521 -8.9521 -8.9004 -8.8998 -8.8906 -8.8904 -8.7249 -8.7246 -7.5387 -7.5386 -7.4522 -7.4520 -4.2758 -4.2712 -3.9857 -3.9841 -3.0462 -3.0458 -2.7446 -2.7314 -2.6581 -2.6548 -2.3774 -2.3705 -1.5930 -1.5805 -1.2505 -1.2400 -1.1626 -1.1503 -0.4430 -0.4426 5.8250 5.8264 6.7411 6.7441 7.4019 7.4133 7.9622 7.9779 k = 0.3246 0.3674-0.0000 ( 5886 PWs) bands (ev): -19.4735 -19.4735 -19.4527 -19.4527 -14.0059 -14.0059 -13.9587 -13.9587 -8.9585 -8.9585 -8.9047 -8.9044 -8.8890 -8.8889 -8.7246 -8.7243 -7.5479 -7.5478 -7.4650 -7.4648 -4.2705 -4.2654 -3.9853 -3.9834 -3.0461 -3.0458 -2.7327 -2.7203 -2.6572 -2.6537 -2.3845 -2.3777 -1.5794 -1.5672 -1.2638 -1.2543 -1.1610 -1.1498 -0.4463 -0.4459 5.8269 5.8281 6.7743 6.7770 7.4004 7.4124 7.9896 8.0063 k = 0.3339 0.3779-0.0000 ( 5890 PWs) bands (ev): -19.4726 -19.4726 -19.4519 -19.4519 -14.0032 -14.0032 -13.9573 -13.9573 -8.9648 -8.9648 -8.9096 -8.9094 -8.8871 -8.8869 -8.7244 -8.7241 -7.5574 -7.5572 -7.4782 -7.4780 -4.2650 -4.2594 -3.9853 -3.9832 -3.0459 -3.0456 -2.7207 -2.7090 -2.6563 -2.6524 -2.3920 -2.3853 -1.5639 -1.5522 -1.2770 -1.2682 -1.1589 -1.1486 -0.4497 -0.4493 5.8316 5.8327 6.8074 6.8098 7.3934 7.4057 8.0124 8.0298 k = 0.3432 0.3884-0.0000 ( 5878 PWs) bands (ev): -19.4718 -19.4718 -19.4511 -19.4511 -14.0003 -14.0003 -13.9559 -13.9559 -8.9708 -8.9708 -8.9144 -8.9143 -8.8852 -8.8849 -8.7242 -8.7238 -7.5670 -7.5666 -7.4917 -7.4916 -4.2592 -4.2531 -3.9858 -3.9836 -3.0455 -3.0451 -2.7088 -2.6977 -2.6553 -2.6510 -2.3998 -2.3933 -1.5469 -1.5358 -1.2899 -1.2815 -1.1564 -1.1467 -0.4531 -0.4527 5.8394 5.8403 6.8399 6.8420 7.3814 7.3937 8.0326 8.0504 k = 0.3525 0.3989-0.0000 ( 5884 PWs) bands (ev): -19.4710 -19.4710 -19.4504 -19.4504 -13.9973 -13.9973 -13.9545 -13.9545 -8.9766 -8.9766 -8.9192 -8.9191 -8.8833 -8.8831 -8.7239 -8.7236 -7.5767 -7.5762 -7.5055 -7.5054 -4.2531 -4.2467 -3.9869 -3.9846 -3.0449 -3.0445 -2.6973 -2.6864 -2.6542 -2.6492 -2.4079 -2.4016 -1.5284 -1.5180 -1.3025 -1.2943 -1.1536 -1.1444 -0.4565 -0.4561 5.8502 5.8509 6.8714 6.8732 7.3652 7.3772 8.0516 8.0697 k = 0.3617 0.4094-0.0000 ( 5876 PWs) bands (ev): -19.4702 -19.4702 -19.4497 -19.4497 -13.9941 -13.9941 -13.9532 -13.9531 -8.9822 -8.9822 -8.9238 -8.9238 -8.8815 -8.8813 -8.7237 -8.7234 -7.5862 -7.5856 -7.5194 -7.5193 -4.2467 -4.2400 -3.9884 -3.9861 -3.0441 -3.0437 -2.6863 -2.6755 -2.6531 -2.6471 -2.4162 -2.4102 -1.5086 -1.4992 -1.3146 -1.3063 -1.1507 -1.1419 -0.4600 -0.4596 5.8642 5.8647 6.9014 6.9029 7.3458 7.3573 8.0705 8.0885 k = 0.3710 0.4199-0.0000 ( 5872 PWs) bands (ev): -19.4695 -19.4695 -19.4491 -19.4491 -13.9908 -13.9908 -13.9518 -13.9518 -8.9875 -8.9875 -8.9282 -8.9282 -8.8799 -8.8797 -8.7234 -8.7231 -7.5956 -7.5949 -7.5332 -7.5331 -4.2399 -4.2330 -3.9904 -3.9882 -3.0432 -3.0428 -2.6764 -2.6650 -2.6517 -2.6443 -2.4247 -2.4191 -1.4878 -1.4795 -1.3262 -1.3175 -1.1478 -1.1393 -0.4634 -0.4630 5.8811 5.8815 6.9294 6.9305 7.3242 7.3349 8.0897 8.1074 k = 0.3803 0.4304-0.0000 ( 5858 PWs) bands (ev): -19.4689 -19.4689 -19.4486 -19.4486 -13.9874 -13.9874 -13.9505 -13.9505 -8.9924 -8.9924 -8.9324 -8.9324 -8.8785 -8.8783 -8.7232 -8.7229 -7.6047 -7.6040 -7.5468 -7.5468 -4.2328 -4.2257 -3.9929 -3.9909 -3.0421 -3.0418 -2.6679 -2.6560 -2.6490 -2.6403 -2.4333 -2.4281 -1.4662 -1.4595 -1.3373 -1.3277 -1.1451 -1.1369 -0.4667 -0.4663 5.9010 5.9011 6.9545 6.9555 7.3016 7.3114 8.1096 8.1267 k = 0.3896 0.4409-0.0000 ( 5858 PWs) bands (ev): -19.4683 -19.4683 -19.4481 -19.4481 -13.9840 -13.9840 -13.9493 -13.9493 -8.9971 -8.9971 -8.9364 -8.9363 -8.8772 -8.8770 -8.7230 -8.7227 -7.6136 -7.6128 -7.5601 -7.5600 -4.2253 -4.2181 -3.9959 -3.9941 -3.0410 -3.0407 -2.6615 -2.6521 -2.6419 -2.6349 -2.4420 -2.4372 -1.4440 -1.4396 -1.3477 -1.3365 -1.1428 -1.1348 -0.4699 -0.4695 5.9236 5.9236 6.9761 6.9770 7.2793 7.2879 8.1302 8.1464 k = 0.3988 0.4513-0.0000 ( 5854 PWs) bands (ev): -19.4678 -19.4678 -19.4476 -19.4476 -13.9807 -13.9806 -13.9482 -13.9482 -9.0015 -9.0015 -8.9401 -8.9400 -8.8760 -8.8758 -8.7228 -8.7225 -7.6219 -7.6211 -7.5730 -7.5729 -4.2175 -4.2103 -3.9994 -3.9979 -3.0399 -3.0396 -2.6570 -2.6506 -2.6327 -2.6279 -2.4507 -2.4463 -1.4213 -1.4208 -1.3574 -1.3431 -1.1411 -1.1331 -0.4730 -0.4726 5.9486 5.9488 6.9932 6.9940 7.2586 7.2657 8.1409 8.1423 k = 0.4081 0.4618-0.0000 ( 5858 PWs) bands (ev): -19.4673 -19.4673 -19.4472 -19.4472 -13.9773 -13.9773 -13.9473 -13.9473 -9.0056 -9.0056 -8.9435 -8.9435 -8.8749 -8.8748 -8.7226 -8.7224 -7.6298 -7.6289 -7.5853 -7.5851 -4.2094 -4.2022 -4.0034 -4.0022 -3.0387 -3.0385 -2.6540 -2.6495 -2.6236 -2.6201 -2.4593 -2.4554 -1.4050 -1.3986 -1.3663 -1.3458 -1.1401 -1.1322 -0.4759 -0.4756 5.9757 5.9761 7.0048 7.0058 7.2406 7.2462 8.0766 8.0770 k = 0.4174 0.4723-0.0000 ( 5852 PWs) bands (ev): -19.4669 -19.4669 -19.4468 -19.4468 -13.9740 -13.9740 -13.9465 -13.9465 -9.0093 -9.0093 -8.9466 -8.9466 -8.8740 -8.8739 -8.7224 -8.7222 -7.6371 -7.6362 -7.5969 -7.5967 -4.2010 -4.1940 -4.0078 -4.0070 -3.0376 -3.0373 -2.6519 -2.6487 -2.6147 -2.6120 -2.4678 -2.4645 -1.3956 -1.3772 -1.3732 -1.3413 -1.1399 -1.1321 -0.4786 -0.4783 6.0046 6.0052 7.0102 7.0114 7.2265 7.2305 8.0114 8.0120 k = 0.4267 0.4828-0.0000 ( 5864 PWs) bands (ev): -19.4665 -19.4665 -19.4464 -19.4464 -13.9708 -13.9708 -13.9458 -13.9458 -9.0127 -9.0127 -8.9495 -8.9495 -8.8733 -8.8731 -8.7223 -8.7221 -7.6437 -7.6428 -7.6077 -7.6075 -4.1925 -4.1857 -4.0126 -4.0122 -3.0365 -3.0362 -2.6504 -2.6479 -2.6063 -2.6039 -2.4762 -2.4733 -1.3936 -1.3823 -1.3530 -1.3289 -1.1408 -1.1331 -0.4811 -0.4809 6.0347 6.0355 7.0093 7.0108 7.2165 7.2190 7.9494 7.9503 k = 0.4359 0.4933-0.0000 ( 5854 PWs) bands (ev): -19.4662 -19.4662 -19.4461 -19.4461 -13.9678 -13.9678 -13.9454 -13.9454 -9.0157 -9.0157 -8.9520 -8.9520 -8.8725 -8.8724 -8.7222 -8.7220 -7.6495 -7.6486 -7.6176 -7.6174 -4.1839 -4.1775 -4.0177 -4.0176 -3.0354 -3.0352 -2.6492 -2.6473 -2.5983 -2.5961 -2.4843 -2.4819 -1.3957 -1.3889 -1.3311 -1.3121 -1.1429 -1.1351 -0.4834 -0.4831 6.0653 6.0662 7.0030 7.0046 7.2103 7.2115 7.8918 7.8929 k = 0.4452 0.5038-0.0000 ( 5854 PWs) bands (ev): -19.4659 -19.4659 -19.4459 -19.4459 -13.9649 -13.9649 -13.9452 -13.9451 -9.0183 -9.0183 -8.9542 -8.9542 -8.8720 -8.8719 -8.7221 -8.7219 -7.6545 -7.6536 -7.6266 -7.6262 -4.1754 -4.1694 -4.0233 -4.0230 -3.0344 -3.0342 -2.6482 -2.6468 -2.5907 -2.5887 -2.4921 -2.4902 -1.3991 -1.3947 -1.3098 -1.2938 -1.1462 -1.1384 -0.4854 -0.4852 6.0956 6.0965 6.9929 6.9944 7.2065 7.2067 7.8397 7.8409 k = 0.4452 0.5038-0.0000 ( 5854 PWs) bands (ev): -19.4659 -19.4659 -19.4459 -19.4459 -13.9649 -13.9649 -13.9452 -13.9451 -9.0183 -9.0183 -8.9542 -8.9542 -8.8720 -8.8719 -8.7221 -8.7219 -7.6545 -7.6536 -7.6266 -7.6262 -4.1754 -4.1694 -4.0233 -4.0230 -3.0344 -3.0342 -2.6482 -2.6468 -2.5907 -2.5887 -2.4921 -2.4902 -1.3991 -1.3947 -1.3098 -1.2938 -1.1462 -1.1384 -0.4854 -0.4852 6.0956 6.0965 6.9929 6.9944 7.2065 7.2067 7.8397 7.8409 k = 0.4313 0.5038-0.0000 ( 5850 PWs) bands (ev): -19.4661 -19.4661 -19.4460 -19.4460 -13.9668 -13.9668 -13.9453 -13.9453 -9.0164 -9.0163 -8.9527 -8.9524 -8.8725 -8.8722 -8.7221 -8.7220 -7.6512 -7.6503 -7.6207 -7.6204 -4.1810 -4.1747 -4.0198 -4.0197 -3.0359 -3.0345 -2.6496 -2.6473 -2.5954 -2.5931 -2.4869 -2.4846 -1.3965 -1.3904 -1.3235 -1.3056 -1.1438 -1.1360 -0.4845 -0.4840 6.0764 6.0773 7.0006 7.0021 7.2089 7.2098 7.8736 7.8748 k = 0.4174 0.5038-0.0000 ( 5851 PWs) bands (ev): -19.4663 -19.4663 -19.4463 -19.4463 -13.9689 -13.9688 -13.9457 -13.9456 -9.0138 -9.0138 -8.9508 -8.9502 -8.8731 -8.8725 -8.7222 -8.7220 -7.6474 -7.6464 -7.6143 -7.6140 -4.1869 -4.1803 -4.0170 -4.0167 -3.0378 -3.0352 -2.6527 -2.6489 -2.5996 -2.5965 -2.4813 -2.4786 -1.3934 -1.3847 -1.3371 -1.3165 -1.1420 -1.1341 -0.4840 -0.4832 6.0581 6.0589 7.0081 7.0098 7.2125 7.2141 7.9109 7.9119 k = 0.4035 0.5038-0.0000 ( 5858 PWs) bands (ev): -19.4667 -19.4667 -19.4466 -19.4466 -13.9710 -13.9710 -13.9461 -13.9461 -9.0107 -9.0106 -8.9485 -8.9476 -8.8739 -8.8729 -8.7223 -8.7221 -7.6430 -7.6421 -7.6074 -7.6071 -4.1929 -4.1861 -4.0147 -4.0143 -3.0403 -3.0363 -2.6573 -2.6519 -2.6030 -2.5991 -2.4754 -2.4723 -1.3906 -1.3777 -1.3504 -1.3258 -1.1406 -1.1326 -0.4839 -0.4828 6.0410 6.0419 7.0150 7.0168 7.2174 7.2199 7.9513 7.9522 k = 0.3896 0.5038-0.0000 ( 5860 PWs) bands (ev): -19.4671 -19.4671 -19.4469 -19.4469 -13.9733 -13.9733 -13.9467 -13.9467 -9.0070 -9.0069 -8.9457 -8.9444 -8.8747 -8.8735 -8.7225 -8.7222 -7.6381 -7.6372 -7.5999 -7.5996 -4.1990 -4.1920 -4.0130 -4.0122 -3.0431 -3.0380 -2.6634 -2.6566 -2.6055 -2.6007 -2.4692 -2.4657 -1.3894 -1.3694 -1.3634 -1.3320 -1.1397 -1.1315 -0.4843 -0.4828 6.0255 6.0263 7.0206 7.0225 7.2239 7.2274 7.9947 7.9953 k = 0.3756 0.5038-0.0000 ( 5864 PWs) bands (ev): -19.4675 -19.4675 -19.4473 -19.4473 -13.9757 -13.9757 -13.9475 -13.9475 -9.0027 -9.0026 -8.9425 -8.9409 -8.8756 -8.8740 -8.7226 -8.7224 -7.6328 -7.6318 -7.5919 -7.5917 -4.2053 -4.1981 -4.0117 -4.0107 -3.0464 -3.0400 -2.6710 -2.6629 -2.6070 -2.6017 -2.4628 -2.4588 -1.3913 -1.3760 -1.3597 -1.3337 -1.1392 -1.1306 -0.4851 -0.4834 6.0117 6.0125 7.0243 7.0261 7.2325 7.2371 8.0405 8.0410 k = 0.3617 0.5038-0.0000 ( 5860 PWs) bands (ev): -19.4680 -19.4680 -19.4478 -19.4477 -13.9782 -13.9782 -13.9484 -13.9484 -8.9979 -8.9978 -8.9389 -8.9369 -8.8765 -8.8746 -8.7227 -8.7225 -7.6270 -7.6261 -7.5835 -7.5833 -4.2115 -4.2043 -4.0109 -4.0097 -3.0500 -3.0425 -2.6799 -2.6708 -2.6077 -2.6020 -2.4561 -2.4518 -1.3969 -1.3877 -1.3490 -1.3304 -1.1390 -1.1298 -0.4864 -0.4844 5.9999 6.0007 7.0253 7.0272 7.2437 7.2494 8.0874 8.0880 k = 0.3478 0.5038-0.0000 ( 5866 PWs) bands (ev): -19.4685 -19.4685 -19.4482 -19.4482 -13.9808 -13.9807 -13.9494 -13.9494 -8.9926 -8.9926 -8.9351 -8.9326 -8.8776 -8.8752 -8.7229 -8.7227 -7.6209 -7.6199 -7.5747 -7.5745 -4.2179 -4.2105 -4.0105 -4.0090 -3.0538 -3.0454 -2.6899 -2.6801 -2.6077 -2.6018 -2.4493 -2.4447 -1.4052 -1.3986 -1.3373 -1.3231 -1.1392 -1.1291 -0.4883 -0.4861 5.9902 5.9911 7.0235 7.0253 7.2577 7.2645 8.0941 8.0947 k = 0.3339 0.5038-0.0000 ( 5868 PWs) bands (ev): -19.4691 -19.4691 -19.4487 -19.4487 -13.9834 -13.9834 -13.9505 -13.9505 -8.9870 -8.9869 -8.9310 -8.9280 -8.8786 -8.8757 -8.7231 -8.7229 -7.6144 -7.6134 -7.5655 -7.5654 -4.2241 -4.2168 -4.0105 -4.0088 -3.0580 -3.0486 -2.7011 -2.6906 -2.6072 -2.6013 -2.4424 -2.4375 -1.4149 -1.4086 -1.3248 -1.3129 -1.1396 -1.1284 -0.4906 -0.4883 5.9828 5.9837 7.0185 7.0203 7.2744 7.2823 8.0626 8.0629 k = 0.3200 0.5038-0.0000 ( 5868 PWs) bands (ev): -19.4698 -19.4698 -19.4493 -19.4493 -13.9861 -13.9861 -13.9517 -13.9516 -8.9809 -8.9809 -8.9267 -8.9231 -8.8795 -8.8760 -8.7233 -8.7231 -7.6076 -7.6067 -7.5561 -7.5560 -4.2304 -4.2231 -4.0109 -4.0090 -3.0623 -3.0520 -2.7132 -2.7023 -2.6063 -2.6006 -2.4355 -2.4304 -1.4249 -1.4181 -1.3117 -1.3007 -1.1401 -1.1274 -0.4936 -0.4911 5.9777 5.9787 7.0106 7.0122 7.2937 7.3025 8.0260 8.0263 k = 0.3061 0.5038-0.0000 ( 5874 PWs) bands (ev): -19.4704 -19.4704 -19.4498 -19.4498 -13.9888 -13.9888 -13.9529 -13.9529 -8.9746 -8.9746 -8.9223 -8.9181 -8.8804 -8.8763 -8.7236 -8.7233 -7.6006 -7.5996 -7.5464 -7.5463 -4.2366 -4.2293 -4.0117 -4.0096 -3.0668 -3.0557 -2.7263 -2.7150 -2.6052 -2.5996 -2.4287 -2.4234 -1.4345 -1.4272 -1.2983 -1.2869 -1.1406 -1.1260 -0.4972 -0.4947 5.9751 5.9761 7.0000 7.0014 7.3151 7.3248 7.9856 7.9861 k = 0.2922 0.5038-0.0000 ( 5862 PWs) bands (ev): -19.4711 -19.4711 -19.4504 -19.4504 -13.9916 -13.9915 -13.9543 -13.9543 -8.9681 -8.9680 -8.9180 -8.9129 -8.8810 -8.8761 -8.7238 -8.7235 -7.5933 -7.5924 -7.5366 -7.5364 -4.2426 -4.2354 -4.0127 -4.0104 -3.0714 -3.0595 -2.7402 -2.7285 -2.6039 -2.5985 -2.4219 -2.4165 -1.4435 -1.4357 -1.2848 -1.2719 -1.1409 -1.1239 -0.5014 -0.4988 5.9750 5.9761 6.9868 6.9881 7.3381 7.3485 7.9425 7.9431 k = 0.2783 0.5038-0.0000 ( 5859 PWs) bands (ev): -19.4718 -19.4718 -19.4510 -19.4510 -13.9943 -13.9943 -13.9557 -13.9557 -8.9614 -8.9614 -8.9137 -8.9078 -8.8812 -8.8755 -8.7240 -8.7238 -7.5859 -7.5850 -7.5266 -7.5264 -4.2486 -4.2415 -4.0141 -4.0116 -3.0760 -3.0635 -2.7549 -2.7429 -2.6025 -2.5973 -2.4153 -2.4098 -1.4519 -1.4438 -1.2714 -1.2563 -1.1408 -1.1209 -0.5062 -0.5037 5.9774 5.9785 6.9715 6.9726 7.3619 7.3730 7.8976 7.8983 k = 0.2643 0.5038-0.0000 ( 5855 PWs) bands (ev): -19.4725 -19.4725 -19.4517 -19.4516 -13.9971 -13.9970 -13.9571 -13.9571 -8.9549 -8.9549 -8.9097 -8.9029 -8.8809 -8.8744 -8.7243 -8.7240 -7.5783 -7.5775 -7.5165 -7.5163 -4.2544 -4.2474 -4.0156 -4.0130 -3.0806 -3.0675 -2.7702 -2.7579 -2.6009 -2.5959 -2.4088 -2.4033 -1.4596 -1.4512 -1.2585 -1.2404 -1.1398 -1.1165 -0.5118 -0.5094 5.9823 5.9835 6.9542 6.9551 7.3859 7.3975 7.8521 7.8528 k = 0.2504 0.5038-0.0000 ( 5865 PWs) bands (ev): -19.4732 -19.4732 -19.4523 -19.4523 -13.9998 -13.9998 -13.9586 -13.9586 -8.9485 -8.9485 -8.9060 -8.8986 -8.8798 -8.8726 -8.7246 -8.7243 -7.5708 -7.5699 -7.5065 -7.5063 -4.2600 -4.2532 -4.0174 -4.0147 -3.0850 -3.0714 -2.7862 -2.7736 -2.5993 -2.5945 -2.4027 -2.3972 -1.4665 -1.4580 -1.2466 -1.2253 -1.1373 -1.1104 -0.5181 -0.5158 5.9898 5.9910 6.9352 6.9361 7.4089 7.4210 7.8073 7.8080 k = 0.2365 0.5038-0.0000 ( 5859 PWs) bands (ev): -19.4740 -19.4740 -19.4529 -19.4529 -14.0025 -14.0024 -13.9601 -13.9601 -8.9425 -8.9425 -8.9026 -8.8949 -8.8775 -8.8701 -8.7249 -8.7246 -7.5632 -7.5623 -7.4964 -7.4963 -4.2654 -4.2588 -4.0193 -4.0165 -3.0893 -3.0753 -2.8026 -2.7898 -2.5975 -2.5930 -2.3968 -2.3914 -1.4727 -1.4642 -1.2360 -1.2118 -1.1322 -1.1023 -0.5252 -0.5231 5.9997 6.0010 6.9147 6.9155 7.4295 7.4418 7.7650 7.7658 k = 0.2226 0.5038-0.0000 ( 5863 PWs) bands (ev): -19.4747 -19.4747 -19.4535 -19.4535 -14.0051 -14.0051 -13.9616 -13.9616 -8.9371 -8.9370 -8.8992 -8.8919 -8.8740 -8.8669 -8.7253 -8.7249 -7.5557 -7.5548 -7.4865 -7.4864 -4.2706 -4.2642 -4.0214 -4.0185 -3.0934 -3.0790 -2.8194 -2.8065 -2.5958 -2.5915 -2.3912 -2.3859 -1.4782 -1.4697 -1.2271 -1.2013 -1.1234 -1.0918 -0.5330 -0.5311 6.0120 6.0134 6.8929 6.8937 7.4455 7.4577 7.7275 7.7287 k = 0.2087 0.5038-0.0000 ( 5865 PWs) bands (ev): -19.4754 -19.4754 -19.4542 -19.4542 -14.0076 -14.0076 -13.9630 -13.9630 -8.9325 -8.9323 -8.8956 -8.8891 -8.8696 -8.8631 -8.7256 -8.7253 -7.5482 -7.5474 -7.4768 -7.4767 -4.2756 -4.2694 -4.0235 -4.0206 -3.0972 -3.0824 -2.8365 -2.8234 -2.5941 -2.5900 -2.3859 -2.3808 -1.4829 -1.4746 -1.2199 -1.1942 -1.1105 -1.0788 -0.5416 -0.5400 6.0267 6.0281 6.8699 6.8708 7.4537 7.4651 7.6979 7.7003 k = 0.1948 0.5038-0.0000 ( 5854 PWs) bands (ev): -19.4761 -19.4761 -19.4548 -19.4548 -14.0101 -14.0101 -13.9645 -13.9645 -8.9289 -8.9285 -8.8915 -8.8859 -8.8647 -8.8589 -8.7259 -8.7255 -7.5410 -7.5402 -7.4674 -7.4672 -4.2802 -4.2744 -4.0257 -4.0228 -3.1006 -3.0856 -2.8537 -2.8404 -2.5923 -2.5885 -2.3810 -2.3761 -1.4870 -1.4790 -1.2143 -1.1902 -1.0940 -1.0636 -0.5510 -0.5497 6.0436 6.0450 6.8458 6.8468 7.4507 7.4607 7.6797 7.6838 k = 0.1809 0.5038-0.0000 ( 5856 PWs) bands (ev): -19.4768 -19.4768 -19.4554 -19.4554 -14.0125 -14.0125 -13.9659 -13.9659 -8.9264 -8.9258 -8.8870 -8.8822 -8.8596 -8.8545 -8.7262 -8.7259 -7.5339 -7.5332 -7.4582 -7.4580 -4.2847 -4.2791 -4.0279 -4.0251 -3.1036 -3.0884 -2.8709 -2.8575 -2.5905 -2.5870 -2.3765 -2.3718 -1.4905 -1.4827 -1.2102 -1.1883 -1.0748 -1.0465 -0.5612 -0.5603 6.0626 6.0641 6.8209 6.8220 7.4356 7.4439 7.6739 7.6798 k = 0.1670 0.5038-0.0000 ( 5854 PWs) bands (ev): -19.4775 -19.4774 -19.4559 -19.4559 -14.0147 -14.0147 -13.9673 -13.9673 -8.9248 -8.9241 -8.8820 -8.8779 -8.8546 -8.8501 -8.7265 -8.7262 -7.5271 -7.5265 -7.4494 -7.4492 -4.2888 -4.2836 -4.0301 -4.0273 -3.1061 -3.0908 -2.8879 -2.8745 -2.5888 -2.5855 -2.3724 -2.3679 -1.4934 -1.4860 -1.2072 -1.1877 -1.0538 -1.0278 -0.5724 -0.5717 6.0837 6.0852 6.7952 6.7963 7.4111 7.4180 7.6778 7.6849 k = 0.1530 0.5038-0.0000 ( 5854 PWs) bands (ev): -19.4781 -19.4781 -19.4565 -19.4565 -14.0169 -14.0169 -13.9686 -13.9686 -8.9239 -8.9231 -8.8767 -8.8732 -8.8496 -8.8457 -8.7268 -8.7265 -7.5207 -7.5200 -7.4411 -7.4409 -4.2926 -4.2878 -4.0323 -4.0296 -3.1081 -3.0927 -2.9047 -2.8913 -2.5871 -2.5841 -2.3686 -2.3644 -1.4958 -1.4887 -1.2051 -1.1879 -1.0317 -1.0078 -0.5844 -0.5839 6.1066 6.1081 6.7687 6.7699 7.3814 7.3871 7.6869 7.6946 k = 0.1391 0.5038-0.0000 ( 5858 PWs) bands (ev): -19.4786 -19.4786 -19.4570 -19.4570 -14.0189 -14.0188 -13.9698 -13.9698 -8.9235 -8.9227 -8.8713 -8.8683 -8.8449 -8.8415 -8.7271 -8.7268 -7.5146 -7.5140 -7.4333 -7.4331 -4.2961 -4.2917 -4.0344 -4.0318 -3.1094 -3.0941 -2.9211 -2.9077 -2.5855 -2.5827 -2.3653 -2.3614 -1.4976 -1.4911 -1.2035 -1.1885 -1.0088 -0.9870 -0.5976 -0.5967 6.1312 6.1328 6.7416 6.7428 7.3496 7.3545 7.6980 7.7057 k = 0.1252 0.5038-0.0000 ( 5859 PWs) bands (ev): -19.4792 -19.4792 -19.4575 -19.4575 -14.0207 -14.0207 -13.9709 -13.9709 -8.9234 -8.9227 -8.8661 -8.8635 -8.8405 -8.8375 -8.7274 -8.7271 -7.5089 -7.5084 -7.4260 -7.4258 -4.2993 -4.2953 -4.0363 -4.0339 -3.1101 -3.0950 -2.9370 -2.9236 -2.5840 -2.5815 -2.3623 -2.3587 -1.4991 -1.4930 -1.2025 -1.1894 -0.9854 -0.9655 -0.6116 -0.6102 6.1574 6.1590 6.7139 6.7152 7.3180 7.3222 7.7089 7.7163 k = 0.1113 0.5038-0.0000 ( 5864 PWs) bands (ev): -19.4797 -19.4797 -19.4579 -19.4579 -14.0224 -14.0224 -13.9720 -13.9720 -8.9236 -8.9229 -8.8611 -8.8588 -8.8365 -8.8338 -8.7277 -8.7274 -7.5037 -7.5032 -7.4193 -7.4191 -4.3022 -4.2985 -4.0382 -4.0360 -3.1102 -3.0953 -2.9521 -2.9389 -2.5826 -2.5803 -2.3596 -2.3564 -1.5002 -1.4947 -1.2017 -1.1904 -0.9618 -0.9435 -0.6266 -0.6246 6.1849 6.1865 6.6856 6.6870 7.2878 7.2914 7.7186 7.7252 k = 0.0974 0.5038-0.0000 ( 5859 PWs) bands (ev): -19.4801 -19.4801 -19.4583 -19.4583 -14.0239 -14.0239 -13.9729 -13.9729 -8.9238 -8.9232 -8.8563 -8.8543 -8.8328 -8.8305 -8.7279 -8.7276 -7.4990 -7.4986 -7.4133 -7.4131 -4.3047 -4.3014 -4.0399 -4.0378 -3.1096 -3.0951 -2.9664 -2.9534 -2.5812 -2.5793 -2.3573 -2.3545 -1.5009 -1.4960 -1.2011 -1.1915 -0.9381 -0.9214 -0.6423 -0.6397 6.2136 6.2152 6.6569 6.6582 7.2598 7.2629 7.7263 7.7322 k = 0.0835 0.5038-0.0000 ( 5856 PWs) bands (ev): -19.4805 -19.4805 -19.4586 -19.4586 -14.0252 -14.0252 -13.9738 -13.9738 -8.9241 -8.9236 -8.8520 -8.8503 -8.8295 -8.8275 -8.7281 -8.7279 -7.4948 -7.4944 -7.4079 -7.4078 -4.3068 -4.3040 -4.0413 -4.0396 -3.1082 -3.0944 -2.9796 -2.9670 -2.5800 -2.5783 -2.3553 -2.3528 -1.5014 -1.4972 -1.2006 -1.1925 -0.9144 -0.8991 -0.6589 -0.6556 6.2433 6.2448 6.6277 6.6291 7.2346 7.2373 7.7321 7.7371 k = 0.0696 0.5038-0.0000 ( 5847 PWs) bands (ev): -19.4809 -19.4809 -19.4589 -19.4589 -14.0263 -14.0263 -13.9745 -13.9745 -8.9245 -8.9240 -8.8482 -8.8468 -8.8267 -8.8250 -8.7282 -8.7280 -7.4912 -7.4909 -7.4033 -7.4032 -4.3086 -4.3063 -4.0426 -4.0411 -3.1063 -3.0933 -2.9915 -2.9796 -2.5790 -2.5775 -2.3536 -2.3515 -1.5017 -1.4981 -1.2001 -1.1936 -0.8909 -0.8769 -0.6763 -0.6723 6.2736 6.2751 6.5982 6.5995 7.2127 7.2149 7.7361 7.7402 k = 0.0557 0.5038-0.0000 ( 5850 PWs) bands (ev): -19.4812 -19.4812 -19.4591 -19.4591 -14.0273 -14.0273 -13.9751 -13.9751 -8.9248 -8.9244 -8.8450 -8.8438 -8.8243 -8.8229 -8.7284 -8.7282 -7.4882 -7.4880 -7.3995 -7.3994 -4.3100 -4.3082 -4.0436 -4.0424 -3.1037 -3.0920 -3.0017 -2.9910 -2.5780 -2.5769 -2.3522 -2.3506 -1.5018 -1.4989 -1.1997 -1.1946 -0.8677 -0.8550 -0.6944 -0.6896 6.3043 6.3058 6.5684 6.5697 7.1944 7.1962 7.7387 7.7419 k = 0.0417 0.5038-0.0000 ( 5850 PWs) bands (ev): -19.4814 -19.4814 -19.4593 -19.4593 -14.0280 -14.0280 -13.9756 -13.9756 -8.9250 -8.9247 -8.8424 -8.8415 -8.8224 -8.8214 -8.7285 -8.7284 -7.4859 -7.4857 -7.3965 -7.3965 -4.3111 -4.3097 -4.0444 -4.0435 -3.1008 -3.0909 -3.0100 -3.0008 -2.5773 -2.5764 -2.3511 -2.3498 -1.5017 -1.4995 -1.1993 -1.1955 -0.8449 -0.8335 -0.7130 -0.7075 6.3350 6.3364 6.5386 6.5399 7.1799 7.1813 7.7402 7.7425 k = 0.0278 0.5038-0.0000 ( 5840 PWs) bands (ev): -19.4815 -19.4815 -19.4595 -19.4595 -14.0285 -14.0285 -13.9759 -13.9759 -8.9252 -8.9250 -8.8405 -8.8399 -8.8209 -8.8202 -8.7286 -8.7285 -7.4842 -7.4840 -7.3943 -7.3943 -4.3118 -4.3108 -4.0449 -4.0443 -3.0976 -3.0903 -3.0158 -3.0090 -2.5767 -2.5761 -2.3503 -2.3494 -1.5015 -1.5001 -1.1989 -1.1963 -0.8229 -0.8128 -0.7318 -0.7257 6.3648 6.3661 6.5096 6.5109 7.1695 7.1704 7.7411 7.7426 k = 0.0139 0.5038-0.0000 ( 5838 PWs) bands (ev): -19.4816 -19.4816 -19.4595 -19.4595 -14.0288 -14.0288 -13.9761 -13.9761 -8.9253 -8.9252 -8.8393 -8.8389 -8.8200 -8.8197 -8.7286 -8.7286 -7.4831 -7.4831 -7.3930 -7.3930 -4.3121 -4.3116 -4.0452 -4.0449 -3.0946 -3.0907 -3.0186 -3.0149 -2.5763 -2.5760 -2.3497 -2.3492 -1.5013 -1.5005 -1.1983 -1.1971 -0.8023 -0.7945 -0.7495 -0.7436 6.3914 6.3924 6.4839 6.4848 7.1633 7.1638 7.7416 7.7424 k = 0.0000 0.5038-0.0000 ( 5834 PWs) bands (ev): -19.4817 -19.4817 -19.4596 -19.4596 -14.0289 -14.0289 -13.9762 -13.9762 -8.9253 -8.9253 -8.8387 -8.8387 -8.8196 -8.8196 -8.7286 -8.7286 -7.4828 -7.4828 -7.3926 -7.3926 -4.3121 -4.3121 -4.0452 -4.0452 -3.0921 -3.0921 -3.0183 -3.0183 -2.5760 -2.5760 -2.3493 -2.3493 -1.5009 -1.5009 -1.1977 -1.1977 -0.7878 -0.7878 -0.7566 -0.7566 6.4051 6.4051 6.4713 6.4713 7.1614 7.1614 7.7420 7.7420 k = 0.0000 0.5038-0.0000 ( 5834 PWs) bands (ev): -19.4817 -19.4817 -19.4596 -19.4596 -14.0289 -14.0289 -13.9762 -13.9762 -8.9253 -8.9253 -8.8387 -8.8387 -8.8196 -8.8196 -8.7286 -8.7286 -7.4828 -7.4828 -7.3926 -7.3926 -4.3121 -4.3121 -4.0452 -4.0452 -3.0921 -3.0921 -3.0183 -3.0183 -2.5760 -2.5760 -2.3493 -2.3493 -1.5009 -1.5009 -1.1977 -1.1977 -0.7878 -0.7878 -0.7566 -0.7566 6.4051 6.4051 6.4713 6.4713 7.1614 7.1614 7.7420 7.7420 k = 0.0000 0.5038 0.0142 ( 5840 PWs) bands (ev): -19.4816 -19.4816 -19.4596 -19.4596 -14.0289 -14.0289 -13.9763 -13.9763 -8.9250 -8.9250 -8.8387 -8.8387 -8.8197 -8.8197 -8.7288 -8.7288 -7.4828 -7.4828 -7.3929 -7.3928 -4.3118 -4.3118 -4.0460 -4.0459 -3.0916 -3.0913 -3.0176 -3.0172 -2.5766 -2.5760 -2.3504 -2.3498 -1.5016 -1.4998 -1.2005 -1.1972 -0.7877 -0.7869 -0.7570 -0.7547 6.4045 6.4046 6.4714 6.4720 7.1618 7.1621 7.7429 7.7430 k = 0.0000 0.5038 0.0284 ( 5840 PWs) bands (ev): -19.4815 -19.4815 -19.4597 -19.4597 -14.0286 -14.0286 -13.9766 -13.9766 -8.9239 -8.9239 -8.8384 -8.8384 -8.8198 -8.8198 -8.7294 -8.7294 -7.4828 -7.4827 -7.3937 -7.3936 -4.3111 -4.3111 -4.0484 -4.0483 -3.0897 -3.0890 -3.0153 -3.0146 -2.5776 -2.5764 -2.3529 -2.3518 -1.5017 -1.4982 -1.2054 -1.1989 -0.7865 -0.7849 -0.7560 -0.7514 6.4030 6.4032 6.4723 6.4734 7.1635 7.1640 7.7456 7.7458 k = 0.0000 0.5038 0.0426 ( 5846 PWs) bands (ev): -19.4813 -19.4813 -19.4599 -19.4599 -14.0282 -14.0282 -13.9770 -13.9770 -8.9221 -8.9220 -8.8381 -8.8381 -8.8201 -8.8201 -8.7305 -8.7305 -7.4827 -7.4827 -7.3951 -7.3950 -4.3100 -4.3100 -4.0523 -4.0521 -3.0864 -3.0854 -3.0114 -3.0103 -2.5791 -2.5774 -2.3570 -2.3553 -1.5013 -1.4961 -1.2122 -1.2028 -0.7844 -0.7820 -0.7536 -0.7469 6.4006 6.4008 6.4738 6.4753 7.1665 7.1671 7.7501 7.7504 k = 0.0000 0.5038 0.0568 ( 5846 PWs) bands (ev): -19.4811 -19.4811 -19.4602 -19.4602 -14.0276 -14.0276 -13.9777 -13.9777 -8.9195 -8.9195 -8.8375 -8.8375 -8.8205 -8.8204 -8.7320 -8.7319 -7.4827 -7.4826 -7.3969 -7.3968 -4.3084 -4.3083 -4.0576 -4.0574 -3.0818 -3.0805 -3.0060 -3.0046 -2.5811 -2.5787 -2.3624 -2.3603 -1.5004 -1.4934 -1.2208 -1.2086 -0.7812 -0.7781 -0.7500 -0.7414 6.3975 6.3978 6.4756 6.4777 7.1709 7.1717 7.7562 7.7566 k = 0.0000 0.5038 0.0710 ( 5848 PWs) bands (ev): -19.4807 -19.4807 -19.4605 -19.4605 -14.0268 -14.0268 -13.9785 -13.9785 -8.9164 -8.9164 -8.8369 -8.8368 -8.8209 -8.8209 -8.7338 -8.7338 -7.4825 -7.4824 -7.3993 -7.3991 -4.3062 -4.3062 -4.0643 -4.0640 -3.0760 -3.0744 -2.9994 -2.9977 -2.5833 -2.5804 -2.3693 -2.3666 -1.4990 -1.4903 -1.2309 -1.2163 -0.7773 -0.7733 -0.7454 -0.7352 6.3938 6.3942 6.4777 6.4802 7.1769 7.1779 7.7639 7.7643 k = 0.0000 0.5038 0.0852 ( 5846 PWs) bands (ev): -19.4803 -19.4803 -19.4609 -19.4609 -14.0259 -14.0259 -13.9795 -13.9795 -8.9126 -8.9126 -8.8360 -8.8360 -8.8215 -8.8215 -8.7362 -8.7361 -7.4823 -7.4821 -7.4021 -7.4019 -4.3036 -4.3036 -4.0721 -4.0718 -3.0690 -3.0671 -2.9917 -2.9897 -2.5857 -2.5822 -2.3775 -2.3743 -1.4969 -1.4867 -1.2423 -1.2255 -0.7725 -0.7678 -0.7400 -0.7285 6.3898 6.3904 6.4796 6.4825 7.1850 7.1861 7.7730 7.7734 k = 0.0000 0.5038 0.0994 ( 5848 PWs) bands (ev): -19.4799 -19.4799 -19.4614 -19.4614 -14.0249 -14.0249 -13.9807 -13.9807 -8.9083 -8.9082 -8.8351 -8.8350 -8.8222 -8.8221 -8.7389 -8.7389 -7.4820 -7.4818 -7.4053 -7.4051 -4.3004 -4.3004 -4.0810 -4.0807 -3.0610 -3.0587 -2.9832 -2.9809 -2.5882 -2.5842 -2.3869 -2.3833 -1.4943 -1.4825 -1.2546 -1.2359 -0.7671 -0.7617 -0.7342 -0.7216 6.3859 6.3865 6.4810 6.4843 7.1952 7.1964 7.7831 7.7834 k = 0.0000 0.5038 0.1136 ( 5854 PWs) bands (ev): -19.4793 -19.4793 -19.4619 -19.4619 -14.0237 -14.0237 -13.9820 -13.9820 -8.9034 -8.9033 -8.8340 -8.8339 -8.8229 -8.8229 -8.7421 -8.7421 -7.4815 -7.4812 -7.4089 -7.4087 -4.2967 -4.2967 -4.0908 -4.0905 -3.0520 -3.0495 -2.9742 -2.9717 -2.5906 -2.5861 -2.3975 -2.3934 -1.4911 -1.4778 -1.2677 -1.2474 -0.7612 -0.7550 -0.7282 -0.7147 6.3821 6.3829 6.4815 6.4851 7.2080 7.2092 7.7939 7.7939 k = 0.0000 0.5038 0.1278 ( 5858 PWs) bands (ev): -19.4788 -19.4788 -19.4625 -19.4625 -14.0223 -14.0223 -13.9835 -13.9835 -8.8981 -8.8980 -8.8328 -8.8327 -8.8237 -8.8237 -8.7458 -8.7457 -7.4808 -7.4805 -7.4128 -7.4125 -4.2924 -4.2924 -4.1013 -4.1010 -3.0422 -3.0395 -2.9651 -2.9624 -2.5927 -2.5877 -2.4091 -2.4046 -1.4873 -1.4725 -1.2813 -1.2597 -0.7548 -0.7479 -0.7222 -0.7081 6.3789 6.3798 6.4810 6.4848 7.2237 7.2248 7.8043 7.8046 k = 0.0000 0.5038 0.1420 ( 5850 PWs) bands (ev): -19.4781 -19.4781 -19.4632 -19.4632 -14.0208 -14.0208 -13.9851 -13.9851 -8.8924 -8.8923 -8.8314 -8.8314 -8.8245 -8.8244 -8.7498 -8.7497 -7.4798 -7.4795 -7.4170 -7.4167 -4.2876 -4.2875 -4.1124 -4.1121 -3.0318 -3.0288 -2.9562 -2.9534 -2.5943 -2.5888 -2.4217 -2.4167 -1.4829 -1.4667 -1.2952 -1.2725 -0.7482 -0.7405 -0.7165 -0.7020 6.3764 6.3775 6.4790 6.4830 7.2426 7.2434 7.8131 7.8141 k = 0.0000 0.5038 0.1561 ( 5852 PWs) bands (ev): -19.4774 -19.4774 -19.4639 -19.4639 -14.0192 -14.0192 -13.9868 -13.9868 -8.8865 -8.8864 -8.8303 -8.8303 -8.8249 -8.8249 -8.7542 -8.7541 -7.4786 -7.4783 -7.4214 -7.4211 -4.2821 -4.2820 -4.1239 -4.1236 -3.0209 -3.0177 -2.9480 -2.9450 -2.5951 -2.5892 -2.4350 -2.4296 -1.4778 -1.4603 -1.3093 -1.2857 -0.7414 -0.7331 -0.7112 -0.6964 6.3749 6.3761 6.4755 6.4796 7.2648 7.2654 7.8177 7.8200 k = 0.0000 0.5038 0.1703 ( 5858 PWs) bands (ev): -19.4767 -19.4767 -19.4646 -19.4646 -14.0175 -14.0175 -13.9887 -13.9887 -8.8804 -8.8803 -8.8300 -8.8300 -8.8244 -8.8244 -8.7591 -8.7589 -7.4771 -7.4768 -7.4259 -7.4256 -4.2760 -4.2760 -4.1357 -4.1354 -3.0096 -3.0063 -2.9408 -2.9376 -2.5947 -2.5885 -2.4489 -2.4432 -1.4720 -1.4533 -1.3233 -1.2990 -0.7347 -0.7256 -0.7066 -0.6917 6.3745 6.3759 6.4705 6.4746 7.2905 7.2907 7.8140 7.8178 k = 0.0000 0.5038 0.1845 ( 5868 PWs) bands (ev): -19.4759 -19.4759 -19.4654 -19.4654 -14.0157 -14.0157 -13.9906 -13.9906 -8.8744 -8.8742 -8.8308 -8.8307 -8.8228 -8.8226 -8.7642 -8.7641 -7.4753 -7.4750 -7.4306 -7.4303 -4.2694 -4.2693 -4.1477 -4.1474 -2.9983 -2.9947 -2.9349 -2.9316 -2.5931 -2.5865 -2.4633 -2.4573 -1.4656 -1.4457 -1.3372 -1.3125 -0.7281 -0.7184 -0.7027 -0.6878 6.3754 6.3771 6.4640 6.4681 7.3195 7.3196 7.7974 7.8025 k = 0.0000 0.5038 0.1987 ( 5874 PWs) bands (ev): -19.4751 -19.4751 -19.4662 -19.4662 -14.0138 -14.0138 -13.9926 -13.9926 -8.8684 -8.8683 -8.8322 -8.8321 -8.8202 -8.8201 -8.7697 -8.7695 -7.4732 -7.4728 -7.4353 -7.4350 -4.2621 -4.2620 -4.1597 -4.1594 -2.9870 -2.9833 -2.9308 -2.9274 -2.5898 -2.5830 -2.4780 -2.4717 -1.4584 -1.4375 -1.3509 -1.3258 -0.7218 -0.7115 -0.6997 -0.6850 6.3777 6.3796 6.4563 6.4602 7.3515 7.3521 7.7679 7.7735 k = 0.0000 0.5038 0.2129 ( 5880 PWs) bands (ev): -19.4743 -19.4743 -19.4671 -19.4671 -14.0118 -14.0118 -13.9947 -13.9947 -8.8627 -8.8625 -8.8340 -8.8339 -8.8171 -8.8169 -8.7754 -8.7752 -7.4707 -7.4703 -7.4400 -7.4396 -4.2541 -4.2540 -4.1716 -4.1713 -2.9760 -2.9722 -2.9285 -2.9251 -2.5849 -2.5779 -2.4927 -2.4862 -1.4506 -1.4288 -1.3642 -1.3389 -0.7160 -0.7051 -0.6977 -0.6831 6.3815 6.3835 6.4475 6.4513 7.3867 7.3878 7.7299 7.7354 k = 0.0000 0.5038 0.2271 ( 5886 PWs) bands (ev): -19.4734 -19.4734 -19.4680 -19.4680 -14.0098 -14.0098 -13.9968 -13.9968 -8.8574 -8.8572 -8.8361 -8.8360 -8.8133 -8.8131 -8.7812 -8.7810 -7.4678 -7.4675 -7.4446 -7.4442 -4.2456 -4.2455 -4.1834 -4.1831 -2.9655 -2.9617 -2.9284 -2.9248 -2.5781 -2.5710 -2.5074 -2.5006 -1.4421 -1.4194 -1.3771 -1.3518 -0.7108 -0.6992 -0.6966 -0.6823 6.3866 6.3889 6.4381 6.4416 7.4247 7.4264 7.6873 7.6923 k = 0.0000 0.5038 0.2413 ( 5878 PWs) bands (ev): -19.4725 -19.4725 -19.4689 -19.4689 -14.0077 -14.0077 -13.9990 -13.9990 -8.8526 -8.8524 -8.8385 -8.8384 -8.8089 -8.8087 -8.7871 -8.7869 -7.4647 -7.4643 -7.4490 -7.4487 -4.2365 -4.2363 -4.1948 -4.1946 -2.9559 -2.9520 -2.9303 -2.9266 -2.5696 -2.5624 -2.5216 -2.5147 -1.4328 -1.4095 -1.3894 -1.3642 -0.7062 -0.6966 -0.6941 -0.6826 6.3931 6.3956 6.4283 6.4317 7.4653 7.4674 7.6426 7.6470 k = 0.0000 0.5038 0.2555 ( 5884 PWs) bands (ev): -19.4716 -19.4716 -19.4698 -19.4698 -14.0055 -14.0055 -14.0012 -14.0012 -8.8483 -8.8481 -8.8414 -8.8412 -8.8040 -8.8038 -8.7930 -8.7928 -7.4612 -7.4608 -7.4533 -7.4530 -4.2268 -4.2266 -4.2059 -4.2057 -2.9472 -2.9434 -2.9342 -2.9305 -2.5595 -2.5523 -2.5352 -2.5282 -1.4229 -1.4012 -1.3989 -1.3763 -0.7025 -0.6976 -0.6898 -0.6840 6.4007 6.4034 6.4186 6.4218 7.5078 7.5106 7.5971 7.6010 k = 0.0000 0.5038 0.2697 ( 5880 PWs) bands (ev): -19.4707 -19.4707 -19.4707 -19.4707 -14.0033 -14.0033 -14.0033 -14.0033 -8.8446 -8.8446 -8.8444 -8.8444 -8.7986 -8.7986 -8.7984 -8.7984 -7.4574 -7.4574 -7.4570 -7.4570 -4.2166 -4.2166 -4.2164 -4.2164 -2.9399 -2.9399 -2.9361 -2.9361 -2.5479 -2.5479 -2.5408 -2.5408 -1.4124 -1.4124 -1.3879 -1.3879 -0.6995 -0.6995 -0.6864 -0.6864 6.4093 6.4093 6.4123 6.4123 7.5520 7.5520 7.5553 7.5553 k = 0.0000 0.5038 0.2697 ( 5880 PWs) bands (ev): -19.4707 -19.4707 -19.4707 -19.4707 -14.0033 -14.0033 -14.0033 -14.0033 -8.8446 -8.8446 -8.8444 -8.8444 -8.7986 -8.7986 -8.7984 -8.7984 -7.4574 -7.4574 -7.4570 -7.4570 -4.2166 -4.2166 -4.2164 -4.2164 -2.9399 -2.9399 -2.9361 -2.9361 -2.5479 -2.5479 -2.5408 -2.5408 -1.4124 -1.4124 -1.3879 -1.3879 -0.6995 -0.6995 -0.6864 -0.6864 6.4093 6.4093 6.4123 6.4123 7.5520 7.5520 7.5553 7.5553 k = 0.0139 0.5038 0.2697 ( 5870 PWs) bands (ev): -19.4706 -19.4706 -19.4706 -19.4706 -14.0033 -14.0033 -14.0032 -14.0032 -8.8448 -8.8448 -8.8445 -8.8445 -8.7987 -8.7987 -8.7984 -8.7984 -7.4578 -7.4578 -7.4574 -7.4574 -4.2165 -4.2165 -4.2160 -4.2160 -2.9398 -2.9398 -2.9359 -2.9359 -2.5479 -2.5479 -2.5407 -2.5407 -1.4122 -1.4122 -1.3877 -1.3877 -0.6999 -0.6999 -0.6868 -0.6868 6.4087 6.4087 6.4117 6.4117 7.5524 7.5524 7.5558 7.5558 k = 0.0278 0.5038 0.2697 ( 5870 PWs) bands (ev): -19.4705 -19.4705 -19.4705 -19.4705 -14.0030 -14.0030 -14.0030 -14.0030 -8.8457 -8.8457 -8.8452 -8.8452 -8.7988 -8.7988 -8.7984 -8.7984 -7.4589 -7.4589 -7.4585 -7.4585 -4.2160 -4.2160 -4.2152 -4.2152 -2.9393 -2.9393 -2.9353 -2.9353 -2.5477 -2.5477 -2.5404 -2.5404 -1.4115 -1.4115 -1.3870 -1.3870 -0.7012 -0.7012 -0.6880 -0.6880 6.4070 6.4070 6.4099 6.4099 7.5537 7.5537 7.5573 7.5573 k = 0.0417 0.5038 0.2697 ( 5866 PWs) bands (ev): -19.4704 -19.4704 -19.4704 -19.4704 -14.0026 -14.0026 -14.0025 -14.0025 -8.8470 -8.8470 -8.8463 -8.8463 -8.7990 -8.7990 -8.7984 -8.7984 -7.4608 -7.4608 -7.4604 -7.4604 -4.2151 -4.2151 -4.2139 -4.2139 -2.9386 -2.9386 -2.9343 -2.9343 -2.5474 -2.5474 -2.5400 -2.5400 -1.4105 -1.4105 -1.3860 -1.3860 -0.7032 -0.7032 -0.6899 -0.6899 6.4041 6.4041 6.4070 6.4070 7.5559 7.5559 7.5597 7.5597 k = 0.0557 0.5038 0.2697 ( 5864 PWs) bands (ev): -19.4702 -19.4702 -19.4702 -19.4702 -14.0019 -14.0019 -14.0019 -14.0019 -8.8488 -8.8488 -8.8480 -8.8480 -8.7992 -8.7992 -8.7984 -8.7984 -7.4634 -7.4634 -7.4630 -7.4630 -4.2137 -4.2137 -4.2122 -4.2122 -2.9376 -2.9376 -2.9330 -2.9330 -2.5469 -2.5469 -2.5394 -2.5394 -1.4090 -1.4090 -1.3846 -1.3846 -0.7060 -0.7060 -0.6927 -0.6927 6.4002 6.4002 6.4030 6.4030 7.5590 7.5590 7.5632 7.5632 k = 0.0696 0.5038 0.2697 ( 5856 PWs) bands (ev): -19.4699 -19.4699 -19.4699 -19.4699 -14.0012 -14.0012 -14.0012 -14.0012 -8.8512 -8.8512 -8.8502 -8.8502 -8.7994 -8.7994 -8.7984 -8.7984 -7.4668 -7.4668 -7.4663 -7.4663 -4.2120 -4.2120 -4.2100 -4.2100 -2.9363 -2.9363 -2.9313 -2.9313 -2.5464 -2.5464 -2.5387 -2.5387 -1.4071 -1.4071 -1.3827 -1.3827 -0.7096 -0.7096 -0.6961 -0.6961 6.3952 6.3952 6.3980 6.3980 7.5632 7.5632 7.5677 7.5677 k = 0.0835 0.5038 0.2697 ( 5862 PWs) bands (ev): -19.4696 -19.4696 -19.4696 -19.4696 -14.0002 -14.0002 -14.0002 -14.0002 -8.8541 -8.8541 -8.8530 -8.8530 -8.7995 -8.7995 -8.7984 -8.7984 -7.4708 -7.4708 -7.4704 -7.4704 -4.2098 -4.2098 -4.2075 -4.2075 -2.9348 -2.9348 -2.9293 -2.9293 -2.5457 -2.5457 -2.5378 -2.5378 -1.4047 -1.4047 -1.3803 -1.3803 -0.7139 -0.7139 -0.7003 -0.7003 6.3892 6.3892 6.3920 6.3920 7.5684 7.5684 7.5732 7.5732 k = 0.0974 0.5038 0.2697 ( 5866 PWs) bands (ev): -19.4692 -19.4692 -19.4692 -19.4692 -13.9992 -13.9992 -13.9992 -13.9992 -8.8575 -8.8575 -8.8564 -8.8564 -8.7995 -8.7995 -8.7983 -8.7983 -7.4755 -7.4755 -7.4751 -7.4751 -4.2072 -4.2072 -4.2045 -4.2045 -2.9330 -2.9330 -2.9271 -2.9271 -2.5450 -2.5450 -2.5368 -2.5368 -1.4019 -1.4019 -1.3775 -1.3775 -0.7190 -0.7190 -0.7052 -0.7052 6.3823 6.3823 6.3850 6.3850 7.5746 7.5746 7.5796 7.5796 k = 0.1113 0.5038 0.2697 ( 5858 PWs) bands (ev): -19.4688 -19.4688 -19.4688 -19.4688 -13.9979 -13.9979 -13.9979 -13.9979 -8.8614 -8.8614 -8.8602 -8.8602 -8.7994 -8.7994 -8.7982 -8.7982 -7.4808 -7.4808 -7.4803 -7.4803 -4.2043 -4.2043 -4.2013 -4.2013 -2.9310 -2.9310 -2.9247 -2.9247 -2.5441 -2.5441 -2.5358 -2.5358 -1.3985 -1.3985 -1.3742 -1.3742 -0.7247 -0.7247 -0.7107 -0.7107 6.3747 6.3747 6.3773 6.3773 7.5817 7.5817 7.5870 7.5870 k = 0.1252 0.5038 0.2697 ( 5864 PWs) bands (ev): -19.4683 -19.4683 -19.4683 -19.4683 -13.9966 -13.9966 -13.9966 -13.9966 -8.8659 -8.8659 -8.8646 -8.8646 -8.7992 -8.7992 -8.7979 -8.7979 -7.4867 -7.4867 -7.4862 -7.4862 -4.2010 -4.2010 -4.1977 -4.1977 -2.9289 -2.9289 -2.9221 -2.9221 -2.5432 -2.5432 -2.5347 -2.5347 -1.3946 -1.3946 -1.3705 -1.3705 -0.7310 -0.7310 -0.7169 -0.7169 6.3663 6.3663 6.3689 6.3689 7.5898 7.5898 7.5952 7.5952 k = 0.1391 0.5038 0.2697 ( 5868 PWs) bands (ev): -19.4678 -19.4678 -19.4678 -19.4678 -13.9951 -13.9951 -13.9951 -13.9951 -8.8708 -8.8708 -8.8695 -8.8695 -8.7988 -8.7988 -8.7976 -8.7976 -7.4931 -7.4931 -7.4926 -7.4926 -4.1973 -4.1973 -4.1937 -4.1937 -2.9266 -2.9266 -2.9194 -2.9194 -2.5423 -2.5423 -2.5335 -2.5335 -1.3903 -1.3903 -1.3662 -1.3662 -0.7379 -0.7379 -0.7237 -0.7237 6.3575 6.3575 6.3599 6.3599 7.5985 7.5985 7.6040 7.6040 k = 0.1530 0.5038 0.2697 ( 5862 PWs) bands (ev): -19.4673 -19.4673 -19.4673 -19.4673 -13.9935 -13.9935 -13.9934 -13.9934 -8.8760 -8.8760 -8.8748 -8.8748 -8.7984 -8.7984 -8.7971 -8.7971 -7.5000 -7.5000 -7.4995 -7.4995 -4.1934 -4.1934 -4.1896 -4.1896 -2.9242 -2.9242 -2.9167 -2.9167 -2.5414 -2.5414 -2.5324 -2.5324 -1.3853 -1.3853 -1.3614 -1.3614 -0.7454 -0.7454 -0.7310 -0.7310 6.3482 6.3482 6.3506 6.3506 7.6078 7.6078 7.6132 7.6132 k = 0.1670 0.5038 0.2697 ( 5858 PWs) bands (ev): -19.4667 -19.4667 -19.4667 -19.4667 -13.9917 -13.9917 -13.9917 -13.9917 -8.8817 -8.8817 -8.8805 -8.8805 -8.7978 -8.7978 -8.7966 -8.7966 -7.5074 -7.5074 -7.5068 -7.5068 -4.1892 -4.1892 -4.1851 -4.1851 -2.9217 -2.9217 -2.9138 -2.9138 -2.5405 -2.5405 -2.5313 -2.5313 -1.3798 -1.3798 -1.3562 -1.3562 -0.7533 -0.7533 -0.7388 -0.7388 6.3388 6.3388 6.3410 6.3410 7.6172 7.6172 7.6227 7.6227 k = 0.1809 0.5038 0.2697 ( 5858 PWs) bands (ev): -19.4661 -19.4661 -19.4661 -19.4661 -13.9899 -13.9899 -13.9899 -13.9899 -8.8877 -8.8877 -8.8865 -8.8865 -8.7971 -8.7971 -8.7960 -8.7960 -7.5151 -7.5151 -7.5145 -7.5145 -4.1848 -4.1848 -4.1805 -4.1805 -2.9191 -2.9191 -2.9110 -2.9110 -2.5396 -2.5396 -2.5303 -2.5303 -1.3738 -1.3738 -1.3503 -1.3503 -0.7617 -0.7617 -0.7470 -0.7470 6.3292 6.3292 6.3313 6.3313 7.6267 7.6267 7.6320 7.6320 k = 0.1948 0.5038 0.2697 ( 5860 PWs) bands (ev): -19.4655 -19.4655 -19.4654 -19.4654 -13.9880 -13.9880 -13.9880 -13.9880 -8.8939 -8.8939 -8.8928 -8.8928 -8.7964 -8.7964 -8.7953 -8.7953 -7.5231 -7.5231 -7.5226 -7.5226 -4.1801 -4.1801 -4.1756 -4.1756 -2.9166 -2.9166 -2.9082 -2.9082 -2.5388 -2.5388 -2.5294 -2.5294 -1.3672 -1.3672 -1.3440 -1.3440 -0.7704 -0.7704 -0.7556 -0.7556 6.3197 6.3197 6.3218 6.3218 7.6359 7.6359 7.6411 7.6411 k = 0.2087 0.5038 0.2697 ( 5860 PWs) bands (ev): -19.4648 -19.4648 -19.4648 -19.4648 -13.9860 -13.9860 -13.9860 -13.9860 -8.9004 -8.9004 -8.8993 -8.8993 -8.7956 -8.7956 -8.7946 -8.7946 -7.5314 -7.5314 -7.5308 -7.5308 -4.1753 -4.1753 -4.1706 -4.1706 -2.9140 -2.9140 -2.9055 -2.9055 -2.5381 -2.5381 -2.5287 -2.5287 -1.3600 -1.3600 -1.3371 -1.3371 -0.7794 -0.7794 -0.7646 -0.7646 6.3105 6.3105 6.3124 6.3124 7.6445 7.6445 7.6496 7.6496 k = 0.2226 0.5038 0.2697 ( 5862 PWs) bands (ev): -19.4641 -19.4641 -19.4641 -19.4641 -13.9840 -13.9840 -13.9840 -13.9840 -8.9070 -8.9070 -8.9060 -8.9060 -8.7948 -8.7948 -8.7938 -8.7938 -7.5399 -7.5399 -7.5394 -7.5394 -4.1703 -4.1703 -4.1655 -4.1655 -2.9115 -2.9115 -2.9029 -2.9029 -2.5375 -2.5375 -2.5281 -2.5281 -1.3523 -1.3523 -1.3298 -1.3298 -0.7886 -0.7886 -0.7738 -0.7738 6.3016 6.3016 6.3034 6.3034 7.6524 7.6524 7.6574 7.6574 k = 0.2365 0.5038 0.2697 ( 5864 PWs) bands (ev): -19.4635 -19.4635 -19.4635 -19.4635 -13.9819 -13.9819 -13.9819 -13.9819 -8.9137 -8.9137 -8.9127 -8.9127 -8.7939 -8.7939 -8.7930 -8.7930 -7.5486 -7.5486 -7.5480 -7.5480 -4.1653 -4.1653 -4.1604 -4.1604 -2.9090 -2.9090 -2.9003 -2.9003 -2.5371 -2.5371 -2.5278 -2.5278 -1.3440 -1.3440 -1.3219 -1.3219 -0.7980 -0.7980 -0.7832 -0.7832 6.2933 6.2933 6.2950 6.2950 7.6593 7.6593 7.6642 7.6642 k = 0.2504 0.5038 0.2697 ( 5856 PWs) bands (ev): -19.4628 -19.4628 -19.4628 -19.4628 -13.9798 -13.9798 -13.9798 -13.9798 -8.9204 -8.9204 -8.9194 -8.9194 -8.7930 -8.7930 -8.7921 -8.7921 -7.5573 -7.5573 -7.5567 -7.5567 -4.1601 -4.1601 -4.1551 -4.1551 -2.9065 -2.9065 -2.8979 -2.8979 -2.5369 -2.5369 -2.5276 -2.5276 -1.3352 -1.3352 -1.3137 -1.3137 -0.8075 -0.8075 -0.7927 -0.7927 6.2855 6.2855 6.2871 6.2871 7.6652 7.6652 7.6699 7.6699 k = 0.2643 0.5038 0.2697 ( 5860 PWs) bands (ev): -19.4621 -19.4621 -19.4621 -19.4621 -13.9777 -13.9777 -13.9777 -13.9777 -8.9270 -8.9270 -8.9261 -8.9261 -8.7922 -8.7922 -8.7913 -8.7913 -7.5661 -7.5661 -7.5655 -7.5655 -4.1550 -4.1550 -4.1499 -4.1499 -2.9041 -2.9041 -2.8957 -2.8957 -2.5368 -2.5368 -2.5278 -2.5278 -1.3260 -1.3260 -1.3050 -1.3050 -0.8170 -0.8170 -0.8024 -0.8024 6.2785 6.2785 6.2800 6.2800 7.6698 7.6698 7.6745 7.6745 k = 0.2783 0.5038 0.2697 ( 5866 PWs) bands (ev): -19.4614 -19.4614 -19.4614 -19.4614 -13.9756 -13.9756 -13.9756 -13.9756 -8.9336 -8.9336 -8.9328 -8.9328 -8.7913 -8.7913 -8.7905 -8.7905 -7.5748 -7.5748 -7.5743 -7.5743 -4.1498 -4.1498 -4.1448 -4.1448 -2.9018 -2.9018 -2.8935 -2.8935 -2.5370 -2.5370 -2.5282 -2.5282 -1.3163 -1.3163 -1.2960 -1.2960 -0.8265 -0.8265 -0.8120 -0.8120 6.2723 6.2723 6.2737 6.2737 7.6733 7.6733 7.6778 7.6778 k = 0.2922 0.5038 0.2697 ( 5864 PWs) bands (ev): -19.4608 -19.4608 -19.4608 -19.4608 -13.9735 -13.9735 -13.9735 -13.9735 -8.9400 -8.9400 -8.9392 -8.9392 -8.7904 -8.7904 -8.7896 -8.7896 -7.5835 -7.5835 -7.5829 -7.5829 -4.1447 -4.1447 -4.1397 -4.1397 -2.8996 -2.8996 -2.8916 -2.8916 -2.5373 -2.5373 -2.5288 -2.5288 -1.3063 -1.3063 -1.2868 -1.2868 -0.8358 -0.8358 -0.8216 -0.8216 6.2670 6.2670 6.2683 6.2683 7.6756 7.6756 7.6801 7.6801 k = 0.3061 0.5038 0.2697 ( 5868 PWs) bands (ev): -19.4602 -19.4602 -19.4602 -19.4602 -13.9715 -13.9715 -13.9715 -13.9715 -8.9462 -8.9462 -8.9455 -8.9455 -8.7895 -8.7895 -8.7888 -8.7888 -7.5920 -7.5920 -7.5915 -7.5915 -4.1397 -4.1397 -4.1347 -4.1347 -2.8974 -2.8974 -2.8898 -2.8898 -2.5378 -2.5378 -2.5297 -2.5297 -1.2960 -1.2960 -1.2773 -1.2773 -0.8448 -0.8448 -0.8311 -0.8311 6.2626 6.2626 6.2638 6.2638 7.6768 7.6768 7.6812 7.6812 k = 0.3200 0.5038 0.2697 ( 5862 PWs) bands (ev): -19.4595 -19.4595 -19.4595 -19.4595 -13.9695 -13.9695 -13.9695 -13.9695 -8.9521 -8.9521 -8.9515 -8.9515 -8.7887 -8.7887 -8.7880 -8.7880 -7.6003 -7.6003 -7.5998 -7.5998 -4.1348 -4.1348 -4.1299 -4.1299 -2.8954 -2.8954 -2.8882 -2.8882 -2.5385 -2.5385 -2.5309 -2.5309 -1.2854 -1.2854 -1.2678 -1.2678 -0.8536 -0.8536 -0.8404 -0.8404 6.2592 6.2592 6.2603 6.2603 7.6768 7.6768 7.6813 7.6813 k = 0.3339 0.5038 0.2697 ( 5862 PWs) bands (ev): -19.4590 -19.4590 -19.4590 -19.4590 -13.9675 -13.9675 -13.9675 -13.9675 -8.9577 -8.9577 -8.9571 -8.9571 -8.7879 -8.7879 -8.7873 -8.7873 -7.6084 -7.6084 -7.6079 -7.6079 -4.1301 -4.1301 -4.1252 -4.1252 -2.8935 -2.8935 -2.8868 -2.8868 -2.5394 -2.5394 -2.5322 -2.5322 -1.2748 -1.2748 -1.2582 -1.2582 -0.8620 -0.8620 -0.8495 -0.8495 6.2568 6.2568 6.2578 6.2578 7.6760 7.6760 7.6804 7.6804 k = 0.3478 0.5038 0.2697 ( 5864 PWs) bands (ev): -19.4584 -19.4584 -19.4584 -19.4584 -13.9657 -13.9657 -13.9656 -13.9656 -8.9630 -8.9630 -8.9625 -8.9625 -8.7871 -8.7871 -8.7866 -8.7866 -7.6162 -7.6162 -7.6157 -7.6157 -4.1255 -4.1255 -4.1208 -4.1208 -2.8916 -2.8916 -2.8855 -2.8855 -2.5403 -2.5403 -2.5338 -2.5338 -1.2640 -1.2640 -1.2488 -1.2488 -0.8698 -0.8698 -0.8582 -0.8582 6.2554 6.2554 6.2563 6.2563 7.6743 7.6743 7.6787 7.6787 k = 0.3617 0.5038 0.2697 ( 5868 PWs) bands (ev): -19.4579 -19.4579 -19.4579 -19.4579 -13.9639 -13.9639 -13.9638 -13.9638 -8.9678 -8.9678 -8.9674 -8.9674 -8.7864 -8.7864 -8.7860 -8.7860 -7.6236 -7.6236 -7.6232 -7.6232 -4.1213 -4.1213 -4.1167 -4.1167 -2.8899 -2.8899 -2.8845 -2.8845 -2.5414 -2.5414 -2.5355 -2.5355 -1.2534 -1.2534 -1.2396 -1.2396 -0.8771 -0.8771 -0.8665 -0.8665 6.2549 6.2549 6.2558 6.2558 7.6720 7.6720 7.6763 7.6763 k = 0.3756 0.5038 0.2697 ( 5864 PWs) bands (ev): -19.4574 -19.4574 -19.4574 -19.4574 -13.9622 -13.9622 -13.9622 -13.9622 -8.9722 -8.9722 -8.9718 -8.9718 -8.7858 -8.7858 -8.7854 -8.7854 -7.6306 -7.6306 -7.6302 -7.6302 -4.1173 -4.1173 -4.1129 -4.1129 -2.8883 -2.8883 -2.8836 -2.8836 -2.5425 -2.5425 -2.5373 -2.5373 -1.2429 -1.2429 -1.2308 -1.2308 -0.8837 -0.8837 -0.8742 -0.8742 6.2553 6.2553 6.2562 6.2562 7.6692 7.6692 7.6734 7.6734 k = 0.3896 0.5038 0.2697 ( 5860 PWs) bands (ev): -19.4570 -19.4570 -19.4570 -19.4570 -13.9606 -13.9606 -13.9606 -13.9606 -8.9761 -8.9761 -8.9758 -8.9758 -8.7852 -8.7852 -8.7849 -8.7849 -7.6372 -7.6372 -7.6369 -7.6369 -4.1136 -4.1136 -4.1095 -4.1095 -2.8869 -2.8869 -2.8830 -2.8830 -2.5436 -2.5436 -2.5391 -2.5391 -1.2328 -1.2328 -1.2225 -1.2225 -0.8895 -0.8895 -0.8815 -0.8815 6.2567 6.2567 6.2575 6.2575 7.6660 7.6660 7.6701 7.6701 k = 0.4035 0.5038 0.2697 ( 5868 PWs) bands (ev): -19.4567 -19.4567 -19.4567 -19.4567 -13.9591 -13.9591 -13.9591 -13.9591 -8.9795 -8.9795 -8.9793 -8.9793 -8.7848 -8.7848 -8.7845 -8.7845 -7.6434 -7.6434 -7.6431 -7.6431 -4.1103 -4.1103 -4.1064 -4.1064 -2.8855 -2.8855 -2.8825 -2.8825 -2.5446 -2.5446 -2.5410 -2.5410 -1.2230 -1.2230 -1.2149 -1.2149 -0.8944 -0.8944 -0.8880 -0.8880 6.2588 6.2588 6.2596 6.2596 7.6627 7.6627 7.6667 7.6667 k = 0.4174 0.5038 0.2697 ( 5858 PWs) bands (ev): -19.4563 -19.4563 -19.4563 -19.4563 -13.9578 -13.9578 -13.9578 -13.9578 -8.9823 -8.9823 -8.9822 -8.9822 -8.7844 -8.7844 -8.7841 -8.7841 -7.6491 -7.6491 -7.6487 -7.6487 -4.1074 -4.1074 -4.1038 -4.1038 -2.8843 -2.8843 -2.8823 -2.8823 -2.5456 -2.5456 -2.5428 -2.5428 -1.2139 -1.2139 -1.2080 -1.2080 -0.8982 -0.8982 -0.8938 -0.8938 6.2616 6.2616 6.2624 6.2624 7.6594 7.6594 7.6633 7.6633 k = 0.4313 0.5038 0.2697 ( 5846 PWs) bands (ev): -19.4561 -19.4561 -19.4561 -19.4561 -13.9566 -13.9566 -13.9566 -13.9566 -8.9846 -8.9846 -8.9845 -8.9845 -8.7840 -8.7840 -8.7838 -8.7838 -7.6542 -7.6542 -7.6539 -7.6539 -4.1050 -4.1050 -4.1015 -4.1015 -2.8833 -2.8833 -2.8822 -2.8822 -2.5466 -2.5466 -2.5444 -2.5444 -1.2055 -1.2055 -1.2020 -1.2020 -0.9010 -0.9010 -0.8987 -0.8987 6.2651 6.2651 6.2659 6.2659 7.6564 7.6564 7.6600 7.6600 k = 0.4452 0.5038 0.2697 ( 5848 PWs) bands (ev): -19.4559 -19.4559 -19.4559 -19.4559 -13.9556 -13.9556 -13.9556 -13.9556 -8.9864 -8.9864 -8.9864 -8.9864 -8.7837 -8.7837 -8.7836 -8.7836 -7.6587 -7.6587 -7.6584 -7.6584 -4.1029 -4.1029 -4.0998 -4.0998 -2.8824 -2.8824 -2.8823 -2.8823 -2.5475 -2.5475 -2.5458 -2.5458 -1.1985 -1.1985 -1.1965 -1.1965 -0.9027 -0.9027 -0.9026 -0.9026 6.2692 6.2692 6.2699 6.2699 7.6538 7.6538 7.6572 7.6572 k = 0.4452 0.5038 0.2697 ( 5848 PWs) bands (ev): -19.4559 -19.4559 -19.4559 -19.4559 -13.9556 -13.9556 -13.9556 -13.9556 -8.9864 -8.9864 -8.9864 -8.9864 -8.7837 -8.7837 -8.7836 -8.7836 -7.6587 -7.6587 -7.6584 -7.6584 -4.1029 -4.1029 -4.0998 -4.0998 -2.8824 -2.8824 -2.8823 -2.8823 -2.5475 -2.5475 -2.5458 -2.5458 -1.1985 -1.1985 -1.1965 -1.1965 -0.9027 -0.9027 -0.9026 -0.9026 6.2692 6.2692 6.2699 6.2699 7.6538 7.6538 7.6572 7.6572 k = 0.4359 0.4933 0.2697 ( 5848 PWs) bands (ev): -19.4561 -19.4561 -19.4561 -19.4561 -13.9571 -13.9571 -13.9571 -13.9571 -8.9839 -8.9839 -8.9839 -8.9839 -8.7841 -8.7841 -8.7839 -8.7839 -7.6518 -7.6518 -7.6514 -7.6514 -4.1058 -4.1058 -4.1023 -4.1023 -2.8829 -2.8829 -2.8828 -2.8828 -2.5459 -2.5459 -2.5440 -2.5440 -1.2080 -1.2080 -1.2057 -1.2057 -0.8991 -0.8991 -0.8989 -0.8989 6.2626 6.2626 6.2634 6.2634 7.6564 7.6564 7.6602 7.6602 k = 0.4267 0.4828 0.2697 ( 5862 PWs) bands (ev): -19.4565 -19.4565 -19.4565 -19.4565 -13.9589 -13.9589 -13.9589 -13.9589 -8.9812 -8.9812 -8.9812 -8.9812 -8.7845 -8.7845 -8.7843 -8.7843 -7.6439 -7.6439 -7.6436 -7.6436 -4.1090 -4.1090 -4.1051 -4.1051 -2.8834 -2.8834 -2.8833 -2.8833 -2.5442 -2.5442 -2.5422 -2.5422 -1.2185 -1.2185 -1.2159 -1.2159 -0.8949 -0.8949 -0.8947 -0.8947 6.2561 6.2561 6.2569 6.2569 7.6569 7.6569 7.6609 7.6609 k = 0.4174 0.4723 0.2697 ( 5866 PWs) bands (ev): -19.4568 -19.4568 -19.4568 -19.4568 -13.9608 -13.9608 -13.9608 -13.9608 -8.9781 -8.9781 -8.9781 -8.9781 -8.7850 -8.7850 -8.7848 -8.7848 -7.6353 -7.6353 -7.6349 -7.6349 -4.1124 -4.1124 -4.1082 -4.1082 -2.8840 -2.8840 -2.8838 -2.8838 -2.5424 -2.5424 -2.5403 -2.5403 -1.2300 -1.2300 -1.2271 -1.2271 -0.8901 -0.8901 -0.8899 -0.8899 6.2500 6.2500 6.2507 6.2507 7.6548 7.6548 7.6588 7.6588 k = 0.4081 0.4618 0.2697 ( 5880 PWs) bands (ev): -19.4573 -19.4573 -19.4573 -19.4573 -13.9629 -13.9629 -13.9629 -13.9629 -8.9747 -8.9747 -8.9747 -8.9747 -8.7855 -8.7855 -8.7853 -8.7853 -7.6259 -7.6259 -7.6255 -7.6255 -4.1161 -4.1161 -4.1116 -4.1116 -2.8846 -2.8846 -2.8844 -2.8844 -2.5406 -2.5406 -2.5384 -2.5384 -1.2422 -1.2422 -1.2390 -1.2390 -0.8849 -0.8849 -0.8847 -0.8847 6.2443 6.2443 6.2451 6.2451 7.6496 7.6496 7.6537 7.6537 k = 0.3988 0.4513 0.2697 ( 5884 PWs) bands (ev): -19.4577 -19.4577 -19.4577 -19.4577 -13.9650 -13.9650 -13.9650 -13.9650 -8.9710 -8.9710 -8.9710 -8.9710 -8.7861 -8.7861 -8.7859 -8.7859 -7.6158 -7.6158 -7.6154 -7.6154 -4.1199 -4.1199 -4.1152 -4.1152 -2.8851 -2.8851 -2.8850 -2.8850 -2.5388 -2.5388 -2.5366 -2.5366 -1.2549 -1.2549 -1.2514 -1.2514 -0.8792 -0.8792 -0.8790 -0.8790 6.2394 6.2394 6.2400 6.2400 7.6415 7.6415 7.6455 7.6455 k = 0.3896 0.4409 0.2697 ( 5896 PWs) bands (ev): -19.4582 -19.4582 -19.4582 -19.4582 -13.9673 -13.9673 -13.9673 -13.9673 -8.9669 -8.9669 -8.9669 -8.9669 -8.7869 -8.7869 -8.7866 -8.7866 -7.6052 -7.6052 -7.6048 -7.6048 -4.1240 -4.1240 -4.1191 -4.1191 -2.8857 -2.8857 -2.8855 -2.8855 -2.5370 -2.5370 -2.5350 -2.5350 -1.2679 -1.2679 -1.2641 -1.2641 -0.8731 -0.8731 -0.8728 -0.8728 6.2351 6.2351 6.2357 6.2357 7.6306 7.6306 7.6344 7.6344 k = 0.3803 0.4304 0.2697 ( 5888 PWs) bands (ev): -19.4588 -19.4588 -19.4588 -19.4588 -13.9696 -13.9696 -13.9696 -13.9696 -8.9625 -8.9625 -8.9625 -8.9625 -8.7876 -8.7876 -8.7874 -8.7874 -7.5942 -7.5942 -7.5938 -7.5938 -4.1281 -4.1281 -4.1231 -4.1231 -2.8862 -2.8862 -2.8860 -2.8860 -2.5354 -2.5354 -2.5336 -2.5336 -1.2811 -1.2811 -1.2769 -1.2769 -0.8665 -0.8665 -0.8663 -0.8663 6.2315 6.2315 6.2320 6.2320 7.6173 7.6173 7.6208 7.6208 k = 0.3710 0.4199 0.2697 ( 5872 PWs) bands (ev): -19.4594 -19.4594 -19.4594 -19.4594 -13.9719 -13.9719 -13.9719 -13.9719 -8.9579 -8.9579 -8.9579 -8.9579 -8.7884 -8.7884 -8.7881 -8.7881 -7.5828 -7.5828 -7.5824 -7.5824 -4.1323 -4.1323 -4.1273 -4.1273 -2.8866 -2.8866 -2.8864 -2.8864 -2.5340 -2.5340 -2.5324 -2.5324 -1.2941 -1.2941 -1.2897 -1.2897 -0.8595 -0.8595 -0.8593 -0.8593 6.2286 6.2286 6.2290 6.2290 7.6020 7.6020 7.6051 7.6051 k = 0.3617 0.4094 0.2697 ( 5884 PWs) bands (ev): -19.4600 -19.4600 -19.4600 -19.4600 -13.9743 -13.9743 -13.9743 -13.9743 -8.9530 -8.9530 -8.9530 -8.9530 -8.7893 -8.7893 -8.7891 -8.7891 -7.5712 -7.5712 -7.5709 -7.5709 -4.1366 -4.1366 -4.1317 -4.1317 -2.8870 -2.8870 -2.8868 -2.8868 -2.5328 -2.5328 -2.5314 -2.5314 -1.3069 -1.3069 -1.3022 -1.3022 -0.8523 -0.8523 -0.8520 -0.8520 6.2262 6.2262 6.2264 6.2264 7.5853 7.5853 7.5881 7.5881 k = 0.3525 0.3989 0.2697 ( 5878 PWs) bands (ev): -19.4607 -19.4607 -19.4607 -19.4607 -13.9766 -13.9766 -13.9766 -13.9766 -8.9479 -8.9479 -8.9479 -8.9479 -8.7903 -8.7903 -8.7900 -8.7900 -7.5595 -7.5595 -7.5592 -7.5592 -4.1410 -4.1410 -4.1362 -4.1362 -2.8872 -2.8872 -2.8870 -2.8870 -2.5317 -2.5317 -2.5307 -2.5307 -1.3191 -1.3191 -1.3141 -1.3141 -0.8447 -0.8447 -0.8444 -0.8444 6.2240 6.2240 6.2241 6.2241 7.5679 7.5679 7.5703 7.5703 k = 0.3432 0.3884 0.2697 ( 5874 PWs) bands (ev): -19.4615 -19.4615 -19.4615 -19.4615 -13.9788 -13.9788 -13.9788 -13.9788 -8.9425 -8.9425 -8.9425 -8.9425 -8.7914 -8.7914 -8.7911 -8.7911 -7.5479 -7.5479 -7.5476 -7.5476 -4.1454 -4.1454 -4.1408 -4.1408 -2.8873 -2.8873 -2.8872 -2.8872 -2.5309 -2.5309 -2.5303 -2.5303 -1.3307 -1.3307 -1.3254 -1.3254 -0.8368 -0.8368 -0.8366 -0.8366 6.2217 6.2217 6.2218 6.2218 7.5505 7.5505 7.5524 7.5524 k = 0.3339 0.3779 0.2697 ( 5886 PWs) bands (ev): -19.4623 -19.4623 -19.4623 -19.4623 -13.9810 -13.9810 -13.9810 -13.9810 -8.9370 -8.9370 -8.9369 -8.9369 -8.7927 -8.7927 -8.7923 -8.7923 -7.5363 -7.5363 -7.5361 -7.5361 -4.1499 -4.1499 -4.1456 -4.1456 -2.8873 -2.8873 -2.8872 -2.8872 -2.5304 -2.5304 -2.5302 -2.5302 -1.3413 -1.3413 -1.3358 -1.3358 -0.8287 -0.8287 -0.8285 -0.8285 6.2190 6.2190 6.2193 6.2193 7.5336 7.5336 7.5350 7.5350 k = 0.3246 0.3674 0.2697 ( 5880 PWs) bands (ev): -19.4631 -19.4631 -19.4631 -19.4631 -13.9830 -13.9830 -13.9830 -13.9830 -8.9312 -8.9312 -8.9312 -8.9312 -8.7939 -8.7939 -8.7936 -8.7936 -7.5250 -7.5250 -7.5248 -7.5248 -4.1544 -4.1544 -4.1505 -4.1505 -2.8872 -2.8872 -2.8871 -2.8871 -2.5303 -2.5303 -2.5300 -2.5300 -1.3509 -1.3509 -1.3452 -1.3452 -0.8205 -0.8205 -0.8202 -0.8202 6.2156 6.2156 6.2161 6.2161 7.5180 7.5180 7.5189 7.5189 k = 0.3154 0.3569 0.2697 ( 5880 PWs) bands (ev): -19.4640 -19.4640 -19.4640 -19.4640 -13.9849 -13.9849 -13.9849 -13.9849 -8.9253 -8.9253 -8.9252 -8.9252 -8.7953 -8.7953 -8.7949 -8.7949 -7.5140 -7.5140 -7.5139 -7.5139 -4.1591 -4.1591 -4.1555 -4.1555 -2.8869 -2.8869 -2.8868 -2.8868 -2.5306 -2.5306 -2.5298 -2.5298 -1.3593 -1.3593 -1.3533 -1.3533 -0.8120 -0.8120 -0.8118 -0.8118 6.2111 6.2111 6.2118 6.2118 7.5042 7.5042 7.5046 7.5046 k = 0.3061 0.3464 0.2697 ( 5880 PWs) bands (ev): -19.4649 -19.4649 -19.4649 -19.4649 -13.9867 -13.9867 -13.9867 -13.9867 -8.9192 -8.9192 -8.9192 -8.9192 -8.7967 -8.7967 -8.7963 -8.7963 -7.5035 -7.5035 -7.5035 -7.5035 -4.1638 -4.1638 -4.1606 -4.1606 -2.8864 -2.8864 -2.8863 -2.8863 -2.5311 -2.5311 -2.5297 -2.5297 -1.3663 -1.3663 -1.3602 -1.3602 -0.8035 -0.8035 -0.8033 -0.8033 6.2052 6.2052 6.2061 6.2061 7.4926 7.4926 7.4928 7.4928 k = 0.2968 0.3359 0.2697 ( 5884 PWs) bands (ev): -19.4659 -19.4659 -19.4659 -19.4659 -13.9883 -13.9883 -13.9882 -13.9882 -8.9130 -8.9130 -8.9130 -8.9130 -8.7982 -8.7982 -8.7978 -8.7978 -7.4936 -7.4936 -7.4935 -7.4935 -4.1686 -4.1686 -4.1659 -4.1659 -2.8857 -2.8857 -2.8857 -2.8857 -2.5318 -2.5318 -2.5298 -2.5298 -1.3719 -1.3719 -1.3656 -1.3656 -0.7949 -0.7949 -0.7947 -0.7947 6.1976 6.1976 6.1986 6.1986 7.4835 7.4835 7.4841 7.4841 k = 0.2875 0.3254 0.2697 ( 5872 PWs) bands (ev): -19.4670 -19.4670 -19.4670 -19.4670 -13.9896 -13.9896 -13.9896 -13.9896 -8.9067 -8.9067 -8.9067 -8.9067 -8.7998 -8.7998 -8.7994 -8.7994 -7.4843 -7.4843 -7.4841 -7.4841 -4.1735 -4.1735 -4.1713 -4.1713 -2.8848 -2.8848 -2.8848 -2.8848 -2.5324 -2.5324 -2.5298 -2.5298 -1.3759 -1.3759 -1.3694 -1.3694 -0.7862 -0.7862 -0.7860 -0.7860 6.1879 6.1879 6.1892 6.1892 7.4774 7.4774 7.4786 7.4786 k = 0.2783 0.3149 0.2697 ( 5874 PWs) bands (ev): -19.4680 -19.4680 -19.4680 -19.4680 -13.9908 -13.9908 -13.9908 -13.9908 -8.9004 -8.9004 -8.9003 -8.9003 -8.8015 -8.8015 -8.8011 -8.8011 -7.4757 -7.4757 -7.4754 -7.4754 -4.1786 -4.1786 -4.1769 -4.1769 -2.8837 -2.8837 -2.8837 -2.8837 -2.5331 -2.5331 -2.5299 -2.5299 -1.3783 -1.3783 -1.3717 -1.3717 -0.7776 -0.7776 -0.7774 -0.7774 6.1761 6.1761 6.1775 6.1775 7.4748 7.4748 7.4765 7.4765 k = 0.2690 0.3044 0.2697 ( 5866 PWs) bands (ev): -19.4691 -19.4691 -19.4691 -19.4691 -13.9918 -13.9918 -13.9917 -13.9917 -8.8939 -8.8939 -8.8939 -8.8939 -8.8032 -8.8032 -8.8028 -8.8028 -7.4678 -7.4678 -7.4675 -7.4675 -4.1837 -4.1837 -4.1826 -4.1826 -2.8824 -2.8824 -2.8824 -2.8824 -2.5337 -2.5337 -2.5299 -2.5299 -1.3790 -1.3790 -1.3724 -1.3724 -0.7691 -0.7691 -0.7688 -0.7688 6.1620 6.1620 6.1635 6.1635 7.4755 7.4755 7.4777 7.4777 k = 0.2597 0.2939 0.2697 ( 5860 PWs) bands (ev): -19.4703 -19.4703 -19.4703 -19.4703 -13.9925 -13.9925 -13.9925 -13.9925 -8.8874 -8.8874 -8.8874 -8.8874 -8.8050 -8.8050 -8.8046 -8.8046 -7.4608 -7.4608 -7.4604 -7.4604 -4.1890 -4.1890 -4.1884 -4.1884 -2.8809 -2.8809 -2.8809 -2.8809 -2.5342 -2.5342 -2.5298 -2.5298 -1.3780 -1.3780 -1.3713 -1.3713 -0.7606 -0.7606 -0.7604 -0.7604 6.1455 6.1455 6.1472 6.1472 7.4797 7.4797 7.4824 7.4824 k = 0.2504 0.2834 0.2697 ( 5864 PWs) bands (ev): -19.4715 -19.4715 -19.4715 -19.4715 -13.9930 -13.9930 -13.9930 -13.9930 -8.8810 -8.8810 -8.8809 -8.8809 -8.8068 -8.8068 -8.8064 -8.8064 -7.4547 -7.4547 -7.4542 -7.4542 -4.1944 -4.1944 -4.1944 -4.1944 -2.8792 -2.8792 -2.8792 -2.8792 -2.5345 -2.5345 -2.5296 -2.5296 -1.3753 -1.3753 -1.3687 -1.3687 -0.7522 -0.7522 -0.7520 -0.7520 6.1269 6.1269 6.1286 6.1286 7.4871 7.4871 7.4902 7.4902 k = 0.2412 0.2729 0.2697 ( 5840 PWs) bands (ev): -19.4727 -19.4727 -19.4727 -19.4727 -13.9932 -13.9932 -13.9932 -13.9932 -8.8744 -8.8744 -8.8744 -8.8744 -8.8086 -8.8086 -8.8082 -8.8082 -7.4495 -7.4495 -7.4488 -7.4488 -4.2005 -4.2005 -4.2000 -4.2000 -2.8773 -2.8773 -2.8772 -2.8772 -2.5347 -2.5347 -2.5293 -2.5293 -1.3710 -1.3710 -1.3643 -1.3643 -0.7440 -0.7440 -0.7438 -0.7438 6.1063 6.1063 6.1080 6.1080 7.4973 7.4973 7.5008 7.5008 k = 0.2319 0.2624 0.2697 ( 5852 PWs) bands (ev): -19.4739 -19.4739 -19.4739 -19.4739 -13.9932 -13.9932 -13.9932 -13.9932 -8.8680 -8.8680 -8.8680 -8.8680 -8.8105 -8.8105 -8.8101 -8.8101 -7.4452 -7.4452 -7.4445 -7.4445 -4.2068 -4.2068 -4.2056 -4.2056 -2.8751 -2.8751 -2.8750 -2.8750 -2.5346 -2.5346 -2.5287 -2.5287 -1.3649 -1.3649 -1.3584 -1.3584 -0.7360 -0.7360 -0.7358 -0.7358 6.0838 6.0838 6.0856 6.0856 7.5101 7.5101 7.5139 7.5139 k = 0.2226 0.2519 0.2697 ( 5846 PWs) bands (ev): -19.4752 -19.4752 -19.4752 -19.4752 -13.9930 -13.9930 -13.9930 -13.9930 -8.8617 -8.8617 -8.8616 -8.8616 -8.8124 -8.8124 -8.8120 -8.8120 -7.4419 -7.4419 -7.4410 -7.4410 -4.2130 -4.2130 -4.2114 -4.2114 -2.8728 -2.8728 -2.8726 -2.8726 -2.5342 -2.5342 -2.5280 -2.5280 -1.3573 -1.3573 -1.3509 -1.3509 -0.7282 -0.7282 -0.7281 -0.7281 6.0599 6.0599 6.0616 6.0616 7.5247 7.5247 7.5288 7.5288 k = 0.2133 0.2414 0.2697 ( 5846 PWs) bands (ev): -19.4765 -19.4765 -19.4764 -19.4764 -13.9926 -13.9926 -13.9926 -13.9926 -8.8554 -8.8554 -8.8553 -8.8553 -8.8143 -8.8143 -8.8139 -8.8139 -7.4394 -7.4394 -7.4385 -7.4385 -4.2193 -4.2193 -4.2172 -4.2172 -2.8702 -2.8702 -2.8700 -2.8700 -2.5336 -2.5336 -2.5270 -2.5270 -1.3482 -1.3482 -1.3419 -1.3419 -0.7207 -0.7207 -0.7205 -0.7205 6.0347 6.0347 6.0365 6.0365 7.5407 7.5407 7.5450 7.5450 k = 0.2041 0.2309 0.2697 ( 5842 PWs) bands (ev): -19.4777 -19.4777 -19.4777 -19.4777 -13.9919 -13.9919 -13.9919 -13.9919 -8.8493 -8.8493 -8.8492 -8.8492 -8.8161 -8.8161 -8.8158 -8.8158 -7.4379 -7.4379 -7.4369 -7.4369 -4.2256 -4.2256 -4.2230 -4.2230 -2.8675 -2.8675 -2.8673 -2.8673 -2.5328 -2.5328 -2.5259 -2.5259 -1.3376 -1.3376 -1.3315 -1.3315 -0.7134 -0.7134 -0.7133 -0.7133 6.0087 6.0087 6.0104 6.0104 7.5574 7.5574 7.5618 7.5618 k = 0.1948 0.2204 0.2697 ( 5846 PWs) bands (ev): -19.4790 -19.4790 -19.4790 -19.4790 -13.9911 -13.9911 -13.9911 -13.9911 -8.8433 -8.8433 -8.8432 -8.8432 -8.8179 -8.8179 -8.8176 -8.8176 -7.4372 -7.4372 -7.4362 -7.4362 -4.2319 -4.2319 -4.2289 -4.2289 -2.8646 -2.8646 -2.8644 -2.8644 -2.5317 -2.5317 -2.5247 -2.5247 -1.3256 -1.3256 -1.3197 -1.3197 -0.7065 -0.7065 -0.7063 -0.7063 5.9822 5.9822 5.9839 5.9839 7.5740 7.5740 7.5785 7.5785 k = 0.1855 0.2099 0.2697 ( 5846 PWs) bands (ev): -19.4803 -19.4803 -19.4803 -19.4803 -13.9900 -13.9900 -13.9900 -13.9900 -8.8376 -8.8376 -8.8374 -8.8374 -8.8195 -8.8195 -8.8192 -8.8192 -7.4374 -7.4374 -7.4363 -7.4363 -4.2380 -4.2380 -4.2347 -4.2347 -2.8615 -2.8615 -2.8613 -2.8613 -2.5305 -2.5305 -2.5233 -2.5233 -1.3124 -1.3124 -1.3068 -1.3068 -0.6998 -0.6998 -0.6997 -0.6997 5.9556 5.9556 5.9571 5.9571 7.5898 7.5898 7.5942 7.5942 k = 0.1762 0.1994 0.2697 ( 5850 PWs) bands (ev): -19.4816 -19.4816 -19.4816 -19.4816 -13.9888 -13.9888 -13.9888 -13.9888 -8.8325 -8.8325 -8.8322 -8.8322 -8.8206 -8.8206 -8.8205 -8.8205 -7.4384 -7.4384 -7.4372 -7.4372 -4.2441 -4.2441 -4.2404 -4.2404 -2.8584 -2.8584 -2.8581 -2.8581 -2.5291 -2.5291 -2.5218 -2.5218 -1.2982 -1.2982 -1.2928 -1.2928 -0.6935 -0.6935 -0.6934 -0.6934 5.9290 5.9290 5.9305 5.9305 7.6040 7.6040 7.6083 7.6083 k = 0.1670 0.1889 0.2697 ( 5856 PWs) bands (ev): -19.4828 -19.4828 -19.4828 -19.4828 -13.9875 -13.9875 -13.9875 -13.9875 -8.8289 -8.8289 -8.8284 -8.8284 -8.8206 -8.8206 -8.8204 -8.8204 -7.4401 -7.4401 -7.4389 -7.4389 -4.2499 -4.2499 -4.2460 -4.2460 -2.8551 -2.8551 -2.8549 -2.8549 -2.5276 -2.5276 -2.5203 -2.5203 -1.2830 -1.2830 -1.2779 -1.2779 -0.6875 -0.6875 -0.6874 -0.6874 5.9028 5.9028 5.9042 5.9042 7.6160 7.6160 7.6201 7.6201 k = 0.1577 0.1784 0.2697 ( 5852 PWs) bands (ev): -19.4841 -19.4841 -19.4841 -19.4841 -13.9860 -13.9860 -13.9860 -13.9860 -8.8281 -8.8281 -8.8275 -8.8275 -8.8177 -8.8177 -8.8175 -8.8175 -7.4425 -7.4425 -7.4412 -7.4412 -4.2555 -4.2555 -4.2514 -4.2514 -2.8517 -2.8517 -2.8515 -2.8515 -2.5260 -2.5260 -2.5187 -2.5187 -1.2670 -1.2670 -1.2622 -1.2622 -0.6819 -0.6819 -0.6818 -0.6818 5.8773 5.8773 5.8786 5.8786 7.6253 7.6253 7.6290 7.6290 k = 0.1484 0.1679 0.2697 ( 5844 PWs) bands (ev): -19.4853 -19.4853 -19.4853 -19.4853 -13.9844 -13.9844 -13.9844 -13.9844 -8.8289 -8.8289 -8.8283 -8.8283 -8.8133 -8.8133 -8.8131 -8.8131 -7.4454 -7.4454 -7.4441 -7.4441 -4.2609 -4.2609 -4.2566 -4.2566 -2.8483 -2.8483 -2.8481 -2.8481 -2.5243 -2.5243 -2.5172 -2.5172 -1.2504 -1.2504 -1.2460 -1.2460 -0.6766 -0.6766 -0.6765 -0.6765 5.8526 5.8526 5.8538 5.8538 7.6313 7.6313 7.6346 7.6346 k = 0.1391 0.1574 0.2697 ( 5860 PWs) bands (ev): -19.4865 -19.4865 -19.4865 -19.4865 -13.9827 -13.9827 -13.9827 -13.9827 -8.8302 -8.8302 -8.8297 -8.8297 -8.8086 -8.8086 -8.8085 -8.8085 -7.4488 -7.4488 -7.4475 -7.4475 -4.2660 -4.2660 -4.2617 -4.2617 -2.8449 -2.8449 -2.8447 -2.8447 -2.5227 -2.5227 -2.5157 -2.5157 -1.2335 -1.2335 -1.2294 -1.2294 -0.6718 -0.6718 -0.6716 -0.6716 5.8290 5.8290 5.8301 5.8301 7.6340 7.6340 7.6368 7.6368 k = 0.1299 0.1470 0.2697 ( 5856 PWs) bands (ev): -19.4876 -19.4876 -19.4876 -19.4876 -13.9810 -13.9810 -13.9810 -13.9810 -8.8316 -8.8316 -8.8311 -8.8311 -8.8040 -8.8040 -8.8039 -8.8039 -7.4526 -7.4526 -7.4513 -7.4513 -4.2708 -4.2708 -4.2664 -4.2664 -2.8415 -2.8415 -2.8413 -2.8413 -2.5210 -2.5210 -2.5143 -2.5143 -1.2163 -1.2163 -1.2125 -1.2125 -0.6672 -0.6672 -0.6671 -0.6671 5.8066 5.8066 5.8076 5.8076 7.6333 7.6333 7.6358 7.6358 k = 0.1206 0.1365 0.2697 ( 5848 PWs) bands (ev): -19.4887 -19.4887 -19.4887 -19.4887 -13.9793 -13.9793 -13.9793 -13.9793 -8.8329 -8.8329 -8.8325 -8.8325 -8.7996 -8.7996 -8.7995 -8.7995 -7.4567 -7.4567 -7.4555 -7.4555 -4.2752 -4.2752 -4.2709 -4.2709 -2.8381 -2.8381 -2.8379 -2.8379 -2.5194 -2.5194 -2.5130 -2.5130 -1.1991 -1.1991 -1.1957 -1.1957 -0.6630 -0.6630 -0.6629 -0.6629 5.7856 5.7856 5.7865 5.7865 7.6297 7.6297 7.6317 7.6317 k = 0.1113 0.1260 0.2697 ( 5852 PWs) bands (ev): -19.4897 -19.4897 -19.4897 -19.4897 -13.9775 -13.9775 -13.9775 -13.9775 -8.8342 -8.8342 -8.8338 -8.8338 -8.7954 -8.7954 -8.7953 -8.7953 -7.4610 -7.4610 -7.4598 -7.4598 -4.2793 -4.2793 -4.2751 -4.2751 -2.8349 -2.8349 -2.8346 -2.8346 -2.5179 -2.5179 -2.5118 -2.5118 -1.1822 -1.1822 -1.1790 -1.1790 -0.6592 -0.6592 -0.6591 -0.6591 5.7660 5.7660 5.7669 5.7669 7.6236 7.6236 7.6252 7.6252 k = 0.1020 0.1155 0.2697 ( 5838 PWs) bands (ev): -19.4907 -19.4907 -19.4907 -19.4907 -13.9758 -13.9758 -13.9758 -13.9758 -8.8354 -8.8354 -8.8350 -8.8350 -8.7914 -8.7914 -8.7914 -8.7914 -7.4654 -7.4654 -7.4643 -7.4643 -4.2830 -4.2830 -4.2790 -4.2790 -2.8317 -2.8317 -2.8314 -2.8314 -2.5164 -2.5164 -2.5107 -2.5107 -1.1656 -1.1656 -1.1628 -1.1628 -0.6557 -0.6557 -0.6556 -0.6556 5.7480 5.7480 5.7487 5.7487 7.6155 7.6155 7.6167 7.6167 k = 0.0928 0.1050 0.2697 ( 5846 PWs) bands (ev): -19.4916 -19.4916 -19.4916 -19.4916 -13.9741 -13.9741 -13.9741 -13.9741 -8.8365 -8.8365 -8.8362 -8.8362 -8.7878 -8.7878 -8.7878 -8.7878 -7.4698 -7.4698 -7.4687 -7.4687 -4.2864 -4.2864 -4.2825 -4.2825 -2.8286 -2.8286 -2.8284 -2.8284 -2.5151 -2.5151 -2.5098 -2.5098 -1.1497 -1.1497 -1.1472 -1.1472 -0.6526 -0.6526 -0.6525 -0.6525 5.7315 5.7315 5.7322 5.7322 7.6059 7.6059 7.6069 7.6069 k = 0.0835 0.0945 0.2697 ( 5844 PWs) bands (ev): -19.4925 -19.4925 -19.4924 -19.4924 -13.9725 -13.9725 -13.9725 -13.9725 -8.8376 -8.8376 -8.8373 -8.8373 -8.7845 -8.7845 -8.7845 -8.7845 -7.4741 -7.4741 -7.4731 -7.4731 -4.2894 -4.2894 -4.2858 -4.2858 -2.8258 -2.8258 -2.8256 -2.8256 -2.5138 -2.5138 -2.5090 -2.5090 -1.1346 -1.1346 -1.1323 -1.1323 -0.6498 -0.6498 -0.6498 -0.6498 5.7167 5.7167 5.7173 5.7173 7.5955 7.5955 7.5962 7.5962 k = 0.0742 0.0840 0.2697 ( 5828 PWs) bands (ev): -19.4932 -19.4932 -19.4932 -19.4932 -13.9710 -13.9710 -13.9710 -13.9710 -8.8385 -8.8385 -8.8382 -8.8382 -8.7815 -8.7815 -8.7814 -8.7814 -7.4782 -7.4782 -7.4773 -7.4773 -4.2920 -4.2920 -4.2887 -4.2887 -2.8231 -2.8231 -2.8229 -2.8229 -2.5127 -2.5127 -2.5083 -2.5083 -1.1204 -1.1204 -1.1185 -1.1185 -0.6474 -0.6474 -0.6473 -0.6473 5.7036 5.7036 5.7041 5.7041 7.5848 7.5848 7.5853 7.5853 k = 0.0649 0.0735 0.2697 ( 5830 PWs) bands (ev): -19.4939 -19.4939 -19.4939 -19.4939 -13.9696 -13.9696 -13.9696 -13.9696 -8.8393 -8.8393 -8.8391 -8.8391 -8.7788 -8.7788 -8.7788 -8.7788 -7.4821 -7.4821 -7.4813 -7.4813 -4.2943 -4.2943 -4.2913 -4.2913 -2.8207 -2.8207 -2.8205 -2.8205 -2.5117 -2.5117 -2.5078 -2.5078 -1.1075 -1.1075 -1.1059 -1.1059 -0.6452 -0.6452 -0.6452 -0.6452 5.6920 5.6920 5.6925 5.6925 7.5742 7.5742 7.5746 7.5746 k = 0.0557 0.0630 0.2697 ( 5846 PWs) bands (ev): -19.4945 -19.4945 -19.4945 -19.4945 -13.9684 -13.9684 -13.9683 -13.9683 -8.8401 -8.8401 -8.8398 -8.8398 -8.7765 -8.7765 -8.7765 -8.7765 -7.4856 -7.4856 -7.4849 -7.4849 -4.2962 -4.2962 -4.2935 -4.2935 -2.8186 -2.8186 -2.8184 -2.8184 -2.5108 -2.5108 -2.5074 -2.5074 -1.0960 -1.0960 -1.0946 -1.0946 -0.6434 -0.6434 -0.6433 -0.6433 5.6821 5.6821 5.6825 5.6825 7.5642 7.5642 7.5644 7.5644 k = 0.0464 0.0525 0.2697 ( 5850 PWs) bands (ev): -19.4950 -19.4950 -19.4950 -19.4950 -13.9673 -13.9673 -13.9673 -13.9673 -8.8407 -8.8407 -8.8405 -8.8405 -8.7745 -8.7745 -8.7745 -8.7745 -7.4887 -7.4887 -7.4881 -7.4881 -4.2977 -4.2977 -4.2955 -4.2955 -2.8167 -2.8167 -2.8166 -2.8166 -2.5099 -2.5099 -2.5071 -2.5071 -1.0859 -1.0859 -1.0847 -1.0847 -0.6419 -0.6419 -0.6418 -0.6418 5.6738 5.6738 5.6741 5.6741 7.5551 7.5551 7.5552 7.5552 k = 0.0371 0.0420 0.2697 ( 5852 PWs) bands (ev): -19.4955 -19.4955 -19.4955 -19.4955 -13.9663 -13.9663 -13.9663 -13.9663 -8.8412 -8.8412 -8.8410 -8.8410 -8.7729 -8.7729 -8.7729 -8.7729 -7.4913 -7.4913 -7.4908 -7.4908 -4.2989 -4.2989 -4.2971 -4.2971 -2.8151 -2.8151 -2.8150 -2.8150 -2.5092 -2.5092 -2.5070 -2.5070 -1.0774 -1.0774 -1.0765 -1.0765 -0.6406 -0.6406 -0.6406 -0.6406 5.6671 5.6671 5.6673 5.6673 7.5472 7.5472 7.5473 7.5473 k = 0.0278 0.0315 0.2697 ( 5852 PWs) bands (ev): -19.4958 -19.4958 -19.4958 -19.4958 -13.9656 -13.9656 -13.9656 -13.9656 -8.8415 -8.8415 -8.8414 -8.8414 -8.7716 -8.7716 -8.7716 -8.7716 -7.4934 -7.4934 -7.4930 -7.4930 -4.2998 -4.2998 -4.2984 -4.2984 -2.8139 -2.8139 -2.8138 -2.8138 -2.5086 -2.5086 -2.5069 -2.5069 -1.0707 -1.0707 -1.0701 -1.0701 -0.6396 -0.6396 -0.6396 -0.6396 5.6619 5.6619 5.6621 5.6621 7.5409 7.5409 7.5409 7.5409 k = 0.0186 0.0210 0.2697 ( 5842 PWs) bands (ev): -19.4960 -19.4960 -19.4960 -19.4960 -13.9651 -13.9651 -13.9651 -13.9651 -8.8418 -8.8418 -8.8417 -8.8417 -8.7706 -8.7706 -8.7706 -8.7706 -7.4949 -7.4949 -7.4946 -7.4946 -4.3003 -4.3003 -4.2994 -4.2994 -2.8130 -2.8130 -2.8129 -2.8129 -2.5081 -2.5081 -2.5070 -2.5070 -1.0659 -1.0659 -1.0654 -1.0654 -0.6390 -0.6390 -0.6389 -0.6389 5.6582 5.6582 5.6583 5.6583 7.5362 7.5362 7.5362 7.5362 k = 0.0093 0.0105 0.2697 ( 5840 PWs) bands (ev): -19.4962 -19.4962 -19.4962 -19.4962 -13.9648 -13.9648 -13.9648 -13.9648 -8.8419 -8.8419 -8.8419 -8.8419 -8.7701 -8.7701 -8.7701 -8.7701 -7.4958 -7.4958 -7.4956 -7.4956 -4.3006 -4.3006 -4.3001 -4.3001 -2.8124 -2.8124 -2.8124 -2.8124 -2.5077 -2.5077 -2.5071 -2.5071 -1.0629 -1.0629 -1.0626 -1.0626 -0.6385 -0.6385 -0.6385 -0.6385 5.6560 5.6560 5.6561 5.6561 7.5333 7.5333 7.5333 7.5333 k = 0.0000 0.0000 0.2697 ( 5834 PWs) bands (ev): -19.4962 -19.4962 -19.4962 -19.4962 -13.9647 -13.9647 -13.9647 -13.9647 -8.8420 -8.8420 -8.8420 -8.8420 -8.7699 -8.7699 -8.7699 -8.7699 -7.4960 -7.4960 -7.4960 -7.4960 -4.3005 -4.3005 -4.3005 -4.3005 -2.8122 -2.8122 -2.8122 -2.8122 -2.5073 -2.5073 -2.5073 -2.5073 -1.0618 -1.0618 -1.0618 -1.0618 -0.6384 -0.6384 -0.6384 -0.6384 5.6553 5.6553 5.6553 5.6553 7.5323 7.5323 7.5323 7.5323 k = 0.0000 0.0000 0.2697 ( 5834 PWs) bands (ev): -19.4962 -19.4962 -19.4962 -19.4962 -13.9647 -13.9647 -13.9647 -13.9647 -8.8420 -8.8420 -8.8420 -8.8420 -8.7699 -8.7699 -8.7699 -8.7699 -7.4960 -7.4960 -7.4960 -7.4960 -4.3005 -4.3005 -4.3005 -4.3005 -2.8122 -2.8122 -2.8122 -2.8122 -2.5073 -2.5073 -2.5073 -2.5073 -1.0618 -1.0618 -1.0618 -1.0618 -0.6384 -0.6384 -0.6384 -0.6384 5.6553 5.6553 5.6553 5.6553 7.5323 7.5323 7.5323 7.5323 k = 0.0000 0.0000 0.2555 ( 5836 PWs) bands (ev): -19.4974 -19.4974 -19.4951 -19.4951 -13.9650 -13.9650 -13.9644 -13.9644 -8.8519 -8.8519 -8.8322 -8.8322 -8.7708 -8.7708 -8.7690 -8.7690 -7.4986 -7.4986 -7.4931 -7.4931 -4.3088 -4.3088 -4.2918 -4.2918 -2.8252 -2.8252 -2.7990 -2.7990 -2.5269 -2.5269 -2.4884 -2.4884 -1.0763 -1.0763 -1.0474 -1.0474 -0.6571 -0.6571 -0.6198 -0.6198 5.6539 5.6539 5.6599 5.6599 7.5269 7.5269 7.5297 7.5297 k = 0.0000 0.0000 0.2413 ( 5842 PWs) bands (ev): -19.4985 -19.4985 -19.4939 -19.4939 -13.9652 -13.9652 -13.9641 -13.9641 -8.8620 -8.8620 -8.8228 -8.8228 -8.7717 -8.7717 -8.7681 -8.7681 -7.5010 -7.5010 -7.4899 -7.4899 -4.3168 -4.3168 -4.2828 -4.2828 -2.8379 -2.8379 -2.7857 -2.7857 -2.5470 -2.5470 -2.4700 -2.4700 -1.0907 -1.0907 -1.0333 -1.0333 -0.6759 -0.6759 -0.6016 -0.6016 5.6556 5.6556 5.6675 5.6675 7.5134 7.5134 7.5197 7.5197 k = 0.0000 0.0000 0.2271 ( 5858 PWs) bands (ev): -19.4997 -19.4997 -19.4928 -19.4928 -13.9655 -13.9655 -13.9638 -13.9638 -8.8720 -8.8720 -8.8137 -8.8137 -8.7726 -8.7726 -8.7673 -8.7673 -7.5030 -7.5030 -7.4866 -7.4866 -4.3243 -4.3243 -4.2735 -4.2735 -2.8503 -2.8503 -2.7724 -2.7724 -2.5674 -2.5674 -2.4525 -2.4525 -1.1051 -1.1051 -1.0196 -1.0196 -0.6947 -0.6947 -0.5838 -0.5838 5.6605 5.6605 5.6781 5.6781 7.4921 7.4921 7.5032 7.5032 k = 0.0000 0.0000 0.2129 ( 5858 PWs) bands (ev): -19.5008 -19.5008 -19.4917 -19.4917 -13.9658 -13.9658 -13.9635 -13.9635 -8.8820 -8.8820 -8.8049 -8.8049 -8.7733 -8.7733 -8.7664 -8.7664 -7.5047 -7.5047 -7.4829 -7.4829 -4.3314 -4.3314 -4.2639 -4.2639 -2.8622 -2.8622 -2.7592 -2.7592 -2.5880 -2.5880 -2.4357 -2.4357 -1.1193 -1.1193 -1.0063 -1.0063 -0.7132 -0.7132 -0.5665 -0.5665 5.6686 5.6686 5.6913 5.6913 7.4639 7.4639 7.4816 7.4816 k = 0.0000 0.0000 0.1987 ( 5854 PWs) bands (ev): -19.5018 -19.5018 -19.4907 -19.4907 -13.9660 -13.9660 -13.9632 -13.9632 -8.8919 -8.8919 -8.7967 -8.7967 -8.7740 -8.7740 -8.7655 -8.7655 -7.5061 -7.5061 -7.4791 -7.4791 -4.3381 -4.3381 -4.2541 -4.2541 -2.8736 -2.8736 -2.7462 -2.7462 -2.6087 -2.6087 -2.4197 -2.4197 -1.1330 -1.1330 -0.9936 -0.9936 -0.7315 -0.7315 -0.5498 -0.5498 5.6797 5.6797 5.7070 5.7070 7.4299 7.4299 7.4560 7.4560 k = 0.0000 0.0000 0.1845 ( 5850 PWs) bands (ev): -19.5028 -19.5028 -19.4896 -19.4896 -13.9662 -13.9662 -13.9629 -13.9629 -8.9015 -8.9015 -8.7892 -8.7892 -8.7743 -8.7743 -8.7647 -8.7647 -7.5073 -7.5073 -7.4752 -7.4752 -4.3443 -4.3443 -4.2442 -4.2442 -2.8845 -2.8845 -2.7335 -2.7335 -2.6292 -2.6292 -2.4047 -2.4047 -1.1464 -1.1464 -0.9815 -0.9815 -0.7492 -0.7492 -0.5339 -0.5339 5.6937 5.6937 5.7250 5.7250 7.3910 7.3910 7.4276 7.4276 k = 0.0000 0.0000 0.1703 ( 5836 PWs) bands (ev): -19.5038 -19.5038 -19.4886 -19.4886 -13.9664 -13.9664 -13.9626 -13.9626 -8.9108 -8.9108 -8.7830 -8.7830 -8.7738 -8.7738 -8.7638 -8.7638 -7.5082 -7.5082 -7.4712 -7.4712 -4.3501 -4.3501 -4.2343 -4.2343 -2.8948 -2.8948 -2.7216 -2.7216 -2.6491 -2.6491 -2.3906 -2.3906 -1.1591 -1.1591 -0.9701 -0.9701 -0.7663 -0.7663 -0.5188 -0.5188 5.7104 5.7104 5.7448 5.7448 7.3486 7.3486 7.3976 7.3976 k = 0.0000 0.0000 0.1561 ( 5836 PWs) bands (ev): -19.5048 -19.5048 -19.4877 -19.4877 -13.9666 -13.9666 -13.9623 -13.9623 -8.9198 -8.9198 -8.7797 -8.7797 -8.7709 -8.7709 -8.7631 -8.7631 -7.5089 -7.5089 -7.4672 -7.4672 -4.3554 -4.3554 -4.2244 -4.2244 -2.9044 -2.9044 -2.7110 -2.7110 -2.6677 -2.6677 -2.3775 -2.3775 -1.1712 -1.1712 -0.9596 -0.9596 -0.7825 -0.7825 -0.5045 -0.5045 5.7295 5.7295 5.7660 5.7660 7.3037 7.3037 7.3668 7.3668 k = 0.0000 0.0000 0.1420 ( 5832 PWs) bands (ev): -19.5056 -19.5056 -19.4868 -19.4868 -13.9668 -13.9668 -13.9620 -13.9620 -8.9282 -8.9282 -8.7791 -8.7791 -8.7659 -8.7659 -8.7622 -8.7622 -7.5094 -7.5094 -7.4633 -7.4633 -4.3603 -4.3603 -4.2148 -4.2148 -2.9133 -2.9133 -2.7058 -2.7058 -2.6810 -2.6810 -2.3654 -2.3654 -1.1826 -1.1826 -0.9500 -0.9500 -0.7979 -0.7979 -0.4913 -0.4913 5.7506 5.7506 5.7883 5.7883 7.2572 7.2572 7.3359 7.3359 k = 0.0000 0.0000 0.1278 ( 5836 PWs) bands (ev): -19.5065 -19.5065 -19.4860 -19.4860 -13.9670 -13.9670 -13.9618 -13.9618 -8.9361 -8.9361 -8.7793 -8.7793 -8.7622 -8.7622 -8.7600 -8.7600 -7.5098 -7.5098 -7.4595 -7.4595 -4.3647 -4.3647 -4.2054 -4.2054 -2.9215 -2.9215 -2.7147 -2.7147 -2.6799 -2.6799 -2.3544 -2.3544 -1.1931 -1.1931 -0.9414 -0.9414 -0.8121 -0.8121 -0.4791 -0.4791 5.7733 5.7733 5.8111 5.8111 7.2103 7.2103 7.3057 7.3057 k = 0.0000 0.0000 0.1136 ( 5836 PWs) bands (ev): -19.5072 -19.5072 -19.4852 -19.4852 -13.9671 -13.9671 -13.9615 -13.9615 -8.9434 -8.9434 -8.7796 -8.7796 -8.7613 -8.7613 -8.7553 -8.7553 -7.5100 -7.5100 -7.4559 -7.4559 -4.3687 -4.3687 -4.1965 -4.1965 -2.9290 -2.9290 -2.7301 -2.7301 -2.6720 -2.6720 -2.3444 -2.3444 -1.2026 -1.2026 -0.9339 -0.9339 -0.8250 -0.8250 -0.4680 -0.4680 5.7971 5.7971 5.8339 5.8339 7.1639 7.1639 7.2768 7.2768 k = 0.0000 0.0000 0.0994 ( 5842 PWs) bands (ev): -19.5079 -19.5079 -19.4846 -19.4846 -13.9672 -13.9672 -13.9613 -13.9613 -8.9501 -8.9501 -8.7801 -8.7801 -8.7608 -8.7608 -8.7508 -8.7508 -7.5101 -7.5101 -7.4525 -7.4525 -4.3722 -4.3722 -4.1881 -4.1881 -2.9356 -2.9356 -2.7456 -2.7456 -2.6636 -2.6636 -2.3355 -2.3355 -1.2112 -1.2112 -0.9275 -0.9275 -0.8365 -0.8365 -0.4581 -0.4581 5.8214 5.8214 5.8561 5.8561 7.1190 7.1190 7.2497 7.2497 k = 0.0000 0.0000 0.0852 ( 5852 PWs) bands (ev): -19.5085 -19.5085 -19.4840 -19.4840 -13.9673 -13.9673 -13.9611 -13.9611 -8.9559 -8.9559 -8.7805 -8.7805 -8.7603 -8.7603 -8.7470 -8.7470 -7.5101 -7.5101 -7.4494 -7.4494 -4.3753 -4.3753 -4.1805 -4.1805 -2.9414 -2.9414 -2.7599 -2.7599 -2.6558 -2.6558 -2.3278 -2.3278 -1.2188 -1.2188 -0.9223 -0.9223 -0.8463 -0.8463 -0.4494 -0.4494 5.8454 5.8454 5.8772 5.8772 7.0766 7.0766 7.2249 7.2249 k = 0.0000 0.0000 0.0710 ( 5848 PWs) bands (ev): -19.5090 -19.5090 -19.4834 -19.4834 -13.9674 -13.9674 -13.9609 -13.9609 -8.9610 -8.9610 -8.7808 -8.7808 -8.7599 -8.7599 -8.7436 -8.7436 -7.5101 -7.5101 -7.4467 -7.4467 -4.3779 -4.3779 -4.1737 -4.1737 -2.9464 -2.9464 -2.7727 -2.7727 -2.6489 -2.6489 -2.3212 -2.3212 -1.2253 -1.2253 -0.9184 -0.9184 -0.8542 -0.8542 -0.4419 -0.4419 5.8683 5.8683 5.8964 5.8964 7.0378 7.0378 7.2029 7.2029 k = 0.0000 0.0000 0.0568 ( 5854 PWs) bands (ev): -19.5094 -19.5094 -19.4830 -19.4830 -13.9675 -13.9675 -13.9608 -13.9608 -8.9652 -8.9652 -8.7811 -8.7811 -8.7595 -8.7595 -8.7409 -8.7409 -7.5101 -7.5101 -7.4444 -7.4444 -4.3800 -4.3800 -4.1680 -4.1680 -2.9505 -2.9505 -2.7834 -2.7834 -2.6431 -2.6431 -2.3158 -2.3158 -1.2306 -1.2306 -0.9158 -0.9158 -0.8603 -0.8603 -0.4358 -0.4358 5.8891 5.8891 5.9132 5.9132 7.0038 7.0038 7.1841 7.1841 k = 0.0000 0.0000 0.0426 ( 5853 PWs) bands (ev): -19.5098 -19.5098 -19.4827 -19.4827 -13.9676 -13.9676 -13.9607 -13.9607 -8.9685 -8.9685 -8.7814 -8.7814 -8.7592 -8.7592 -8.7388 -8.7388 -7.5100 -7.5100 -7.4426 -7.4426 -4.3816 -4.3816 -4.1633 -4.1633 -2.9536 -2.9536 -2.7921 -2.7921 -2.6385 -2.6385 -2.3115 -2.3115 -1.2348 -1.2348 -0.9144 -0.9144 -0.8645 -0.8645 -0.4310 -0.4310 5.9068 5.9068 5.9270 5.9270 6.9757 6.9757 7.1691 7.1691 k = 0.0000 0.0000 0.0284 ( 5837 PWs) bands (ev): -19.5100 -19.5100 -19.4825 -19.4825 -13.9676 -13.9676 -13.9606 -13.9606 -8.9708 -8.9708 -8.7815 -8.7815 -8.7590 -8.7590 -8.7372 -8.7372 -7.5100 -7.5100 -7.4412 -7.4412 -4.3828 -4.3828 -4.1599 -4.1599 -2.9559 -2.9559 -2.7983 -2.7983 -2.6351 -2.6351 -2.3085 -2.3085 -1.2378 -1.2378 -0.9138 -0.9138 -0.8671 -0.8671 -0.4275 -0.4275 5.9203 5.9203 5.9373 5.9373 6.9546 6.9546 7.1580 7.1580 k = 0.0000 0.0000 0.0142 ( 5827 PWs) bands (ev): -19.5101 -19.5101 -19.4823 -19.4823 -13.9676 -13.9676 -13.9606 -13.9606 -8.9722 -8.9722 -8.7816 -8.7816 -8.7589 -8.7589 -8.7363 -8.7363 -7.5099 -7.5099 -7.4404 -7.4404 -4.3835 -4.3835 -4.1578 -4.1578 -2.9573 -2.9573 -2.8022 -2.8022 -2.6331 -2.6331 -2.3067 -2.3067 -1.2396 -1.2396 -0.9136 -0.9136 -0.8685 -0.8685 -0.4254 -0.4254 5.9289 5.9289 5.9436 5.9436 6.9416 6.9416 7.1512 7.1512 k = 0.0000 0.0000 0.0000 ( 5829 PWs) bands (ev): -19.5102 -19.5102 -19.4823 -19.4823 -13.9676 -13.9676 -13.9605 -13.9605 -8.9727 -8.9727 -8.7816 -8.7816 -8.7589 -8.7589 -8.7360 -8.7360 -7.5099 -7.5099 -7.4401 -7.4401 -4.3838 -4.3838 -4.1571 -4.1571 -2.9578 -2.9578 -2.8034 -2.8034 -2.6324 -2.6324 -2.3060 -2.3060 -1.2402 -1.2402 -0.9136 -0.9136 -0.8689 -0.8689 -0.4247 -0.4247 5.9318 5.9318 5.9458 5.9458 6.9372 6.9372 7.1490 7.1490 k = 0.0000 0.0000 0.0000 ( 5829 PWs) bands (ev): -19.5102 -19.5102 -19.4823 -19.4823 -13.9676 -13.9676 -13.9605 -13.9605 -8.9727 -8.9727 -8.7816 -8.7816 -8.7589 -8.7589 -8.7360 -8.7360 -7.5099 -7.5099 -7.4401 -7.4401 -4.3838 -4.3838 -4.1571 -4.1571 -2.9578 -2.9578 -2.8034 -2.8034 -2.6324 -2.6324 -2.3060 -2.3060 -1.2402 -1.2402 -0.9136 -0.9136 -0.8689 -0.8689 -0.4247 -0.4247 5.9318 5.9318 5.9458 5.9458 6.9372 6.9372 7.1490 7.1490 k =-0.0106 0.0094 0.0000 ( 5825 PWs) bands (ev): -19.5101 -19.5101 -19.4822 -19.4822 -13.9677 -13.9677 -13.9606 -13.9606 -8.9728 -8.9725 -8.7822 -8.7814 -8.7590 -8.7587 -8.7362 -8.7354 -7.5101 -7.5101 -7.4404 -7.4404 -4.3836 -4.3834 -4.1574 -4.1570 -2.9577 -2.9577 -2.8079 -2.8023 -2.6336 -2.6284 -2.3063 -2.3063 -1.2405 -1.2401 -0.9143 -0.9130 -0.8693 -0.8683 -0.4266 -0.4251 5.9337 5.9339 5.9482 5.9485 6.9359 6.9364 7.1494 7.1494 k =-0.0213 0.0188 0.0000 ( 5821 PWs) bands (ev): -19.5099 -19.5099 -19.4821 -19.4821 -13.9677 -13.9677 -13.9607 -13.9607 -8.9729 -8.9723 -8.7830 -8.7815 -8.7590 -8.7584 -8.7362 -8.7347 -7.5106 -7.5106 -7.4413 -7.4413 -4.3831 -4.3826 -4.1579 -4.1571 -2.9574 -2.9574 -2.8153 -2.8045 -2.6320 -2.6221 -2.3072 -2.3070 -1.2408 -1.2400 -0.9152 -0.9126 -0.8693 -0.8672 -0.4307 -0.4278 5.9399 5.9403 5.9557 5.9564 6.9327 6.9336 7.1508 7.1509 k =-0.0319 0.0282 0.0000 ( 5835 PWs) bands (ev): -19.5097 -19.5097 -19.4819 -19.4819 -13.9679 -13.9679 -13.9608 -13.9608 -8.9730 -8.9721 -8.7842 -8.7820 -8.7590 -8.7580 -8.7360 -8.7337 -7.5116 -7.5115 -7.4428 -7.4428 -4.3820 -4.3813 -4.1586 -4.1574 -2.9570 -2.9569 -2.8250 -2.8099 -2.6278 -2.6142 -2.3085 -2.3083 -1.2412 -1.2400 -0.9164 -0.9124 -0.8688 -0.8659 -0.4370 -0.4326 5.9501 5.9507 5.9683 5.9694 6.9276 6.9289 7.1532 7.1533 k =-0.0426 0.0376-0.0000 ( 5827 PWs) bands (ev): -19.5093 -19.5093 -19.4816 -19.4816 -13.9680 -13.9680 -13.9611 -13.9611 -8.9729 -8.9718 -8.7857 -8.7828 -8.7589 -8.7576 -8.7355 -8.7326 -7.5128 -7.5128 -7.4448 -7.4448 -4.3804 -4.3795 -4.1595 -4.1578 -2.9564 -2.9563 -2.8365 -2.8180 -2.6215 -2.6049 -2.3104 -2.3101 -1.2416 -1.2400 -0.9180 -0.9125 -0.8677 -0.8639 -0.4455 -0.4396 5.9645 5.9653 5.9859 5.9874 6.9207 6.9224 7.1567 7.1567 k =-0.0532 0.0470 0.0000 ( 5827 PWs) bands (ev): -19.5088 -19.5088 -19.4812 -19.4812 -13.9682 -13.9682 -13.9614 -13.9614 -8.9728 -8.9714 -8.7873 -8.7840 -8.7589 -8.7573 -8.7348 -8.7314 -7.5144 -7.5144 -7.4474 -7.4473 -4.3784 -4.3772 -4.1605 -4.1585 -2.9556 -2.9554 -2.8492 -2.8282 -2.6136 -2.5950 -2.3127 -2.3125 -1.2421 -1.2402 -0.9203 -0.9133 -0.8658 -0.8612 -0.4561 -0.4487 5.9829 5.9839 6.0083 6.0102 6.9122 6.9143 7.1613 7.1614 k =-0.0638 0.0564 0.0000 ( 5821 PWs) bands (ev): -19.5082 -19.5082 -19.4807 -19.4807 -13.9684 -13.9684 -13.9617 -13.9617 -8.9726 -8.9710 -8.7892 -8.7854 -8.7588 -8.7569 -8.7340 -8.7302 -7.5164 -7.5164 -7.4505 -7.4505 -4.3758 -4.3744 -4.1617 -4.1593 -2.9546 -2.9543 -2.8629 -2.8399 -2.6047 -2.5846 -2.3156 -2.3153 -1.2425 -1.2403 -0.9233 -0.9147 -0.8629 -0.8577 -0.4688 -0.4599 6.0053 6.0065 6.0355 6.0377 6.9023 6.9048 7.1673 7.1674 k =-0.0745 0.0658-0.0000 ( 5817 PWs) bands (ev): -19.5076 -19.5076 -19.4801 -19.4801 -13.9687 -13.9687 -13.9621 -13.9621 -8.9723 -8.9704 -8.7913 -8.7872 -8.7588 -8.7566 -8.7331 -8.7289 -7.5187 -7.5186 -7.4541 -7.4541 -4.3728 -4.3711 -4.1630 -4.1601 -2.9534 -2.9529 -2.8771 -2.8527 -2.5952 -2.5741 -2.3190 -2.3186 -1.2430 -1.2405 -0.9273 -0.9170 -0.8591 -0.8533 -0.4834 -0.4730 6.0316 6.0330 6.0672 6.0697 6.8910 6.8939 7.1748 7.1749 k =-0.0851 0.0752-0.0000 ( 5825 PWs) bands (ev): -19.5068 -19.5068 -19.4795 -19.4795 -13.9689 -13.9689 -13.9625 -13.9625 -8.9719 -8.9698 -8.7935 -8.7892 -8.7589 -8.7565 -8.7321 -8.7277 -7.5213 -7.5212 -7.4582 -7.4582 -4.3692 -4.3674 -4.1643 -4.1611 -2.9519 -2.9513 -2.8916 -2.8662 -2.5855 -2.5637 -2.3228 -2.3223 -1.2435 -1.2407 -0.9321 -0.9202 -0.8542 -0.8479 -0.4999 -0.4880 6.0618 6.0634 6.1031 6.1060 6.8787 6.8819 7.1840 7.1841 k =-0.0957 0.0846 0.0000 ( 5829 PWs) bands (ev): -19.5059 -19.5059 -19.4788 -19.4788 -13.9692 -13.9692 -13.9629 -13.9629 -8.9714 -8.9690 -8.7959 -8.7914 -8.7592 -8.7565 -8.7311 -8.7266 -7.5242 -7.5241 -7.4628 -7.4628 -4.3651 -4.3631 -4.1657 -4.1621 -2.9503 -2.9494 -2.9061 -2.8802 -2.5757 -2.5535 -2.3271 -2.3265 -1.2438 -1.2409 -0.9379 -0.9243 -0.8484 -0.8416 -0.5181 -0.5046 6.0957 6.0975 6.1430 6.1463 6.8653 6.8689 7.1951 7.1952 k =-0.1064 0.0940 0.0000 ( 5829 PWs) bands (ev): -19.5050 -19.5050 -19.4780 -19.4780 -13.9694 -13.9694 -13.9634 -13.9634 -8.9707 -8.9681 -8.7984 -8.7939 -8.7597 -8.7567 -8.7301 -8.7255 -7.5274 -7.5273 -7.4679 -7.4679 -4.3605 -4.3583 -4.1670 -4.1631 -2.9489 -2.9472 -2.9202 -2.8943 -2.5661 -2.5436 -2.3318 -2.3312 -1.2441 -1.2410 -0.9446 -0.9293 -0.8417 -0.8344 -0.5380 -0.5229 6.1332 6.1352 6.1866 6.1902 6.8510 6.8550 7.2084 7.2085 k =-0.1170 0.1034-0.0000 ( 5821 PWs) bands (ev): -19.5040 -19.5040 -19.4772 -19.4772 -13.9697 -13.9697 -13.9639 -13.9639 -8.9699 -8.9670 -8.8011 -8.7965 -8.7604 -8.7572 -8.7293 -8.7246 -7.5309 -7.5308 -7.4734 -7.4733 -4.3553 -4.3529 -4.1684 -4.1642 -2.9492 -2.9448 -2.9320 -2.9082 -2.5568 -2.5342 -2.3370 -2.3363 -1.2443 -1.2411 -0.9522 -0.9352 -0.8340 -0.8263 -0.5594 -0.5427 6.1742 6.1764 6.2335 6.2374 6.8360 6.8403 7.2241 7.2242 k =-0.1277 0.1128-0.0000 ( 5809 PWs) bands (ev): -19.5029 -19.5028 -19.4762 -19.4762 -13.9699 -13.9699 -13.9643 -13.9643 -8.9688 -8.9658 -8.8041 -8.7994 -8.7614 -8.7580 -8.7284 -8.7237 -7.5346 -7.5345 -7.4792 -7.4792 -4.3495 -4.3471 -4.1696 -4.1651 -2.9564 -2.9428 -2.9363 -2.9212 -2.5479 -2.5253 -2.3426 -2.3417 -1.2444 -1.2410 -0.9606 -0.9420 -0.8256 -0.8175 -0.5821 -0.5639 6.2186 6.2209 6.2833 6.2875 6.8202 6.8249 7.2426 7.2426 k =-0.1383 0.1222 0.0000 ( 5817 PWs) bands (ev): -19.5017 -19.5017 -19.4753 -19.4753 -13.9701 -13.9701 -13.9648 -13.9648 -8.9676 -8.9644 -8.8073 -8.8027 -8.7628 -8.7592 -8.7277 -8.7231 -7.5385 -7.5384 -7.4854 -7.4854 -4.3433 -4.3407 -4.1708 -4.1660 -2.9687 -2.9444 -2.9347 -2.9299 -2.5395 -2.5169 -2.3485 -2.3476 -1.2442 -1.2408 -0.9698 -0.9495 -0.8165 -0.8080 -0.6062 -0.5863 6.2660 6.2685 6.3356 6.3400 6.8037 6.8088 7.2641 7.2641 k =-0.1489 0.1316 0.0000 ( 5821 PWs) bands (ev): -19.5005 -19.5005 -19.4743 -19.4743 -13.9703 -13.9702 -13.9652 -13.9652 -8.9663 -8.9629 -8.8108 -8.8063 -8.7646 -8.7608 -8.7271 -8.7225 -7.5427 -7.5426 -7.4919 -7.4919 -4.3364 -4.3337 -4.1719 -4.1668 -2.9820 -2.9541 -2.9312 -2.9297 -2.5316 -2.5091 -2.3548 -2.3538 -1.2439 -1.2405 -0.9797 -0.9578 -0.8067 -0.7980 -0.6313 -0.6099 6.3164 6.3190 6.3897 6.3944 6.7866 6.7920 7.2890 7.2890 k =-0.1596 0.1410-0.0000 ( 5819 PWs) bands (ev): -19.4992 -19.4992 -19.4732 -19.4732 -13.9703 -13.9703 -13.9657 -13.9656 -8.9647 -8.9611 -8.8145 -8.8102 -8.7668 -8.7627 -8.7265 -8.7222 -7.5470 -7.5469 -7.4987 -7.4987 -4.3291 -4.3263 -4.1727 -4.1674 -2.9952 -2.9664 -2.9269 -2.9259 -2.5243 -2.5020 -2.3615 -2.3603 -1.2434 -1.2400 -0.9904 -0.9668 -0.7963 -0.7874 -0.6574 -0.6344 6.3695 6.3721 6.4452 6.4501 6.7690 6.7748 7.3175 7.3176 k =-0.1702 0.1504 0.0000 ( 5832 PWs) bands (ev): -19.4979 -19.4978 -19.4721 -19.4721 -13.9704 -13.9704 -13.9660 -13.9660 -8.9630 -8.9592 -8.8187 -8.8145 -8.7694 -8.7652 -8.7261 -8.7219 -7.5515 -7.5514 -7.5057 -7.5057 -4.3212 -4.3184 -4.1734 -4.1679 -3.0079 -2.9788 -2.9218 -2.9208 -2.5176 -2.4956 -2.3684 -2.3671 -1.2427 -1.2393 -1.0017 -0.9765 -0.7855 -0.7764 -0.6843 -0.6597 6.4250 6.4276 6.5015 6.5066 6.7508 6.7571 7.3501 7.3503 k =-0.1809 0.1598 0.0000 ( 5838 PWs) bands (ev): -19.4965 -19.4965 -19.4710 -19.4710 -13.9703 -13.9703 -13.9663 -13.9663 -8.9611 -8.9571 -8.8232 -8.8192 -8.7726 -8.7681 -8.7258 -8.7218 -7.5562 -7.5560 -7.5130 -7.5130 -4.3127 -4.3099 -4.1739 -4.1682 -3.0200 -2.9908 -2.9161 -2.9150 -2.5116 -2.4898 -2.3756 -2.3741 -1.2418 -1.2384 -1.0137 -0.9869 -0.7743 -0.7653 -0.7116 -0.6856 6.4826 6.4850 6.5578 6.5631 6.7322 6.7391 7.3871 7.3873 k =-0.1915 0.1692 0.0000 ( 5852 PWs) bands (ev): -19.4951 -19.4951 -19.4698 -19.4698 -13.9702 -13.9702 -13.9666 -13.9666 -8.9590 -8.9549 -8.8282 -8.8244 -8.7762 -8.7715 -8.7256 -8.7218 -7.5609 -7.5607 -7.5203 -7.5203 -4.3038 -4.3010 -4.1742 -4.1683 -3.0314 -3.0022 -2.9097 -2.9085 -2.5062 -2.4847 -2.3830 -2.3814 -1.2406 -1.2373 -1.0263 -0.9979 -0.7632 -0.7568 -0.7366 -0.7117 6.5415 6.5433 6.6136 6.6190 6.7137 6.7215 7.4288 7.4291 k =-0.2021 0.1786-0.0000 ( 5860 PWs) bands (ev): -19.4936 -19.4936 -19.4686 -19.4686 -13.9700 -13.9700 -13.9668 -13.9668 -8.9568 -8.9525 -8.8335 -8.8300 -8.7802 -8.7754 -8.7254 -8.7218 -7.5658 -7.5656 -7.5279 -7.5279 -4.2944 -4.2916 -4.1742 -4.1682 -3.0420 -3.0129 -2.9027 -2.9014 -2.5015 -2.4803 -2.3906 -2.3889 -1.2392 -1.2361 -1.0395 -1.0094 -0.7728 -0.7556 -0.7372 -0.7345 6.6000 6.6003 6.6680 6.6735 6.6965 6.7063 7.4753 7.4757 k =-0.2128 0.1880 0.0000 ( 5856 PWs) bands (ev): -19.4921 -19.4921 -19.4674 -19.4674 -13.9697 -13.9697 -13.9670 -13.9670 -8.9544 -8.9499 -8.8393 -8.8360 -8.7848 -8.7798 -8.7252 -8.7218 -7.5706 -7.5704 -7.5355 -7.5355 -4.2846 -4.2818 -4.1739 -4.1678 -3.0517 -3.0228 -2.8950 -2.8935 -2.4975 -2.4766 -2.3984 -2.3965 -1.2376 -1.2346 -1.0531 -1.0215 -0.8009 -0.7714 -0.7338 -0.7258 6.6421 6.6448 6.6934 6.7066 6.7208 6.7263 7.5267 7.5272 k =-0.2234 0.1974-0.0000 ( 5846 PWs) bands (ev): -19.4906 -19.4906 -19.4661 -19.4661 -13.9693 -13.9693 -13.9670 -13.9670 -8.9520 -8.9473 -8.8456 -8.8425 -8.7898 -8.7846 -8.7249 -8.7219 -7.5755 -7.5753 -7.5431 -7.5431 -4.2743 -4.2716 -4.1734 -4.1672 -3.0606 -3.0318 -2.8867 -2.8850 -2.4941 -2.4736 -2.4063 -2.4043 -1.2358 -1.2329 -1.0672 -1.0341 -0.8301 -0.7980 -0.7224 -0.7133 6.6411 6.6423 6.7394 6.7492 6.7708 6.7763 7.5828 7.5833 k =-0.2340 0.2068 0.0000 ( 5832 PWs) bands (ev): -19.4891 -19.4891 -19.4649 -19.4649 -13.9688 -13.9688 -13.9670 -13.9670 -8.9494 -8.9445 -8.8523 -8.8495 -8.7952 -8.7898 -8.7247 -8.7219 -7.5804 -7.5802 -7.5508 -7.5507 -4.2637 -4.2610 -4.1727 -4.1664 -3.0685 -3.0400 -2.8778 -2.8758 -2.4914 -2.4712 -2.4144 -2.4122 -1.2338 -1.2311 -1.0818 -1.0471 -0.8594 -0.8256 -0.7099 -0.7005 6.6222 6.6254 6.8002 6.8084 6.8180 6.8232 7.6428 7.6434 k =-0.2447 0.2162 0.0000 ( 5836 PWs) bands (ev): -19.4876 -19.4876 -19.4636 -19.4636 -13.9682 -13.9682 -13.9669 -13.9669 -8.9468 -8.9417 -8.8595 -8.8569 -8.8011 -8.7955 -8.7246 -8.7221 -7.5854 -7.5851 -7.5584 -7.5584 -4.2527 -4.2501 -4.1717 -4.1655 -3.0754 -3.0472 -2.8683 -2.8661 -2.4893 -2.4696 -2.4225 -2.4201 -1.2316 -1.2291 -1.0966 -1.0606 -0.8888 -0.8534 -0.6970 -0.6876 6.6009 6.6050 6.8589 6.8654 6.8666 6.8706 7.7047 7.7051 k =-0.2553 0.2256-0.0000 ( 5832 PWs) bands (ev): -19.4861 -19.4861 -19.4624 -19.4624 -13.9675 -13.9675 -13.9667 -13.9667 -8.9442 -8.9388 -8.8671 -8.8648 -8.8073 -8.8015 -8.7245 -8.7222 -7.5902 -7.5900 -7.5660 -7.5659 -4.2414 -4.2389 -4.1706 -4.1643 -3.0812 -3.0534 -2.8582 -2.8558 -2.4879 -2.4685 -2.4306 -2.4281 -1.2293 -1.2270 -1.1118 -1.0746 -0.9178 -0.8810 -0.6840 -0.6746 6.5787 6.5832 6.9001 6.9060 6.9262 6.9328 7.7615 7.7616 k =-0.2660 0.2350-0.0000 ( 5826 PWs) bands (ev): -19.4846 -19.4846 -19.4611 -19.4611 -13.9667 -13.9667 -13.9664 -13.9664 -8.9416 -8.9360 -8.8751 -8.8730 -8.8139 -8.8079 -8.7243 -8.7223 -7.5950 -7.5948 -7.5734 -7.5734 -4.2299 -4.2276 -4.1692 -4.1630 -3.0861 -3.0587 -2.8476 -2.8449 -2.4870 -2.4681 -2.4387 -2.4360 -1.2270 -1.2249 -1.1272 -1.0890 -0.9463 -0.9083 -0.6710 -0.6616 6.5560 6.5607 6.9356 6.9412 6.9871 6.9939 7.7910 7.7921 k =-0.2766 0.2444 0.0000 ( 5830 PWs) bands (ev): -19.4831 -19.4831 -19.4599 -19.4599 -13.9661 -13.9661 -13.9659 -13.9658 -8.9391 -8.9332 -8.8836 -8.8817 -8.8207 -8.8144 -8.7242 -8.7223 -7.5997 -7.5994 -7.5808 -7.5807 -4.2183 -4.2160 -4.1677 -4.1616 -3.0898 -3.0629 -2.8366 -2.8336 -2.4868 -2.4684 -2.4468 -2.4439 -1.2246 -1.2230 -1.1427 -1.1038 -0.9740 -0.9351 -0.6580 -0.6488 6.5329 6.5377 6.9666 6.9719 7.0460 7.0529 7.7874 7.7886 k =-0.2872 0.2538-0.0000 ( 5830 PWs) bands (ev): -19.4816 -19.4816 -19.4587 -19.4587 -13.9657 -13.9657 -13.9649 -13.9649 -8.9367 -8.9304 -8.8924 -8.8907 -8.8277 -8.8211 -8.7240 -8.7224 -7.6043 -7.6041 -7.5880 -7.5879 -4.2065 -4.2043 -4.1661 -4.1600 -3.0925 -3.0661 -2.8252 -2.8219 -2.4871 -2.4692 -2.4548 -2.4516 -1.2224 -1.2213 -1.1581 -1.1192 -1.0006 -0.9612 -0.6452 -0.6360 6.5096 6.5145 6.9928 6.9979 7.1017 7.1086 7.7728 7.7737 k =-0.2979 0.2632 0.0000 ( 5834 PWs) bands (ev): -19.4802 -19.4802 -19.4576 -19.4576 -13.9652 -13.9652 -13.9639 -13.9638 -8.9346 -8.9279 -8.9015 -8.9000 -8.8348 -8.8278 -8.7239 -8.7224 -7.6088 -7.6085 -7.5950 -7.5949 -4.1946 -4.1926 -4.1643 -4.1584 -3.0942 -3.0684 -2.8134 -2.8099 -2.4880 -2.4707 -2.4626 -2.4591 -1.2205 -1.2204 -1.1729 -1.1350 -1.0258 -0.9864 -0.6325 -0.6236 6.4862 6.4911 7.0142 7.0189 7.1531 7.1601 7.7566 7.7571 k =-0.3085 0.2726 0.0000 ( 5834 PWs) bands (ev): -19.4788 -19.4788 -19.4565 -19.4564 -13.9646 -13.9646 -13.9628 -13.9627 -8.9326 -8.9256 -8.9107 -8.9094 -8.8418 -8.8345 -8.7236 -8.7224 -7.6131 -7.6129 -7.6018 -7.6017 -4.1828 -4.1810 -4.1625 -4.1567 -3.0948 -3.0697 -2.8014 -2.7976 -2.4895 -2.4733 -2.4702 -2.4659 -1.2217 -1.2189 -1.1859 -1.1510 -1.0493 -1.0105 -0.6201 -0.6114 6.4629 6.4677 7.0306 7.0349 7.1989 7.2060 7.7413 7.7415 k =-0.3191 0.2820-0.0000 ( 5844 PWs) bands (ev): -19.4775 -19.4775 -19.4554 -19.4554 -13.9640 -13.9640 -13.9616 -13.9616 -8.9310 -8.9238 -8.9201 -8.9189 -8.8486 -8.8410 -8.7235 -8.7224 -7.6173 -7.6171 -7.6083 -7.6082 -4.1711 -4.1695 -4.1605 -4.1549 -3.0945 -3.0701 -2.7893 -2.7852 -2.4916 -2.4777 -2.4775 -2.4711 -1.2275 -1.2189 -1.1944 -1.1667 -1.0710 -1.0334 -0.6079 -0.5995 6.4397 6.4445 7.0421 7.0460 7.2380 7.2450 7.7278 7.7281 k =-0.3298 0.2914 0.0000 ( 5850 PWs) bands (ev): -19.4762 -19.4762 -19.4543 -19.4543 -13.9634 -13.9634 -13.9604 -13.9604 -8.9301 -8.9296 -8.9284 -8.9222 -8.8550 -8.8471 -8.7233 -8.7224 -7.6213 -7.6210 -7.6146 -7.6145 -4.1603 -4.1599 -4.1562 -4.1528 -3.0932 -3.0696 -2.7771 -2.7727 -2.4945 -2.4840 -2.4840 -2.4748 -1.2390 -1.2219 -1.1975 -1.1801 -1.0906 -1.0550 -0.5962 -0.5880 6.4169 6.4216 7.0489 7.0523 7.2692 7.2759 7.7165 7.7171 k =-0.3404 0.3008-0.0000 ( 5854 PWs) bands (ev): -19.4750 -19.4749 -19.4533 -19.4533 -13.9627 -13.9627 -13.9591 -13.9591 -8.9390 -8.9381 -8.9294 -8.9215 -8.8608 -8.8527 -8.7231 -8.7223 -7.6251 -7.6249 -7.6206 -7.6205 -4.1576 -4.1531 -4.1464 -4.1458 -3.0911 -3.0684 -2.7649 -2.7602 -2.4986 -2.4908 -2.4895 -2.4780 -1.2537 -1.2308 -1.1975 -1.1884 -1.1082 -1.0752 -0.5848 -0.5770 6.3946 6.3991 7.0512 7.0542 7.2917 7.2981 7.7076 7.7085 k =-0.3511 0.3102-0.0000 ( 5854 PWs) bands (ev): -19.4738 -19.4738 -19.4523 -19.4523 -13.9619 -13.9619 -13.9579 -13.9579 -8.9484 -8.9476 -8.9295 -8.9215 -8.8658 -8.8576 -8.7230 -8.7223 -7.6287 -7.6285 -7.6262 -7.6261 -4.1557 -4.1510 -4.1358 -4.1349 -3.0882 -3.0664 -2.7528 -2.7479 -2.5041 -2.4976 -2.4938 -2.4813 -1.2696 -1.2453 -1.1963 -1.1914 -1.1240 -1.0939 -0.5739 -0.5664 6.3729 6.3772 7.0497 7.0523 7.3054 7.3112 7.7009 7.7020 k =-0.3617 0.3196 0.0000 ( 5860 PWs) bands (ev): -19.4726 -19.4726 -19.4514 -19.4513 -13.9612 -13.9612 -13.9566 -13.9566 -8.9575 -8.9568 -8.9303 -8.9225 -8.8698 -8.8618 -8.7228 -8.7222 -7.6324 -7.6323 -7.6312 -7.6312 -4.1540 -4.1495 -4.1250 -4.1241 -3.0846 -3.0639 -2.7410 -2.7359 -2.5101 -2.5042 -2.4973 -2.4848 -1.2859 -1.2627 -1.1946 -1.1915 -1.1381 -1.1110 -0.5635 -0.5564 6.3519 6.3560 7.0448 7.0470 7.3108 7.3160 7.6961 7.6973 k =-0.3723 0.3290-0.0000 ( 5860 PWs) bands (ev): -19.4716 -19.4716 -19.4505 -19.4505 -13.9604 -13.9604 -13.9554 -13.9553 -8.9664 -8.9658 -8.9319 -8.9246 -8.8726 -8.8650 -8.7227 -8.7221 -7.6369 -7.6368 -7.6349 -7.6348 -4.1523 -4.1481 -4.1146 -4.1138 -3.0804 -3.0608 -2.7294 -2.7241 -2.5163 -2.5107 -2.5006 -2.4884 -1.3021 -1.2811 -1.1928 -1.1905 -1.1507 -1.1267 -0.5536 -0.5469 6.3318 6.3357 7.0373 7.0392 7.3093 7.3139 7.6928 7.6942 k =-0.3830 0.3384 0.0000 ( 5858 PWs) bands (ev): -19.4706 -19.4706 -19.4497 -19.4497 -13.9597 -13.9597 -13.9541 -13.9541 -8.9749 -8.9744 -8.9342 -8.9276 -8.8743 -8.8675 -8.7225 -8.7221 -7.6415 -7.6414 -7.6379 -7.6377 -4.1508 -4.1469 -4.1046 -4.1039 -3.0758 -3.0574 -2.7183 -2.7129 -2.5224 -2.5169 -2.5038 -2.4922 -1.3179 -1.2993 -1.1911 -1.1890 -1.1620 -1.1407 -0.5444 -0.5381 6.3128 6.3164 7.0279 7.0295 7.3024 7.3064 7.6908 7.6922 k =-0.3936 0.3478 0.0000 ( 5864 PWs) bands (ev): -19.4696 -19.4696 -19.4489 -19.4489 -13.9590 -13.9590 -13.9530 -13.9529 -8.9830 -8.9825 -8.9372 -8.9313 -8.8751 -8.8691 -8.7224 -8.7220 -7.6458 -7.6457 -7.6406 -7.6405 -4.1494 -4.1458 -4.0952 -4.0946 -3.0708 -3.0537 -2.7077 -2.7022 -2.5283 -2.5228 -2.5070 -2.4960 -1.3330 -1.3169 -1.1897 -1.1874 -1.1720 -1.1532 -0.5358 -0.5300 6.2949 6.2983 7.0172 7.0185 7.2918 7.2952 7.6896 7.6909 k =-0.4043 0.3572-0.0000 ( 5856 PWs) bands (ev): -19.4688 -19.4688 -19.4482 -19.4482 -13.9582 -13.9582 -13.9518 -13.9518 -8.9905 -8.9901 -8.9404 -8.9354 -8.8753 -8.8701 -8.7222 -8.7219 -7.6497 -7.6496 -7.6430 -7.6429 -4.1481 -4.1448 -4.0864 -4.0859 -3.0656 -3.0499 -2.6976 -2.6921 -2.5338 -2.5284 -2.5100 -2.4998 -1.3472 -1.3334 -1.1887 -1.1861 -1.1806 -1.1639 -0.5278 -0.5225 6.2784 6.2815 7.0059 7.0070 7.2789 7.2818 7.6889 7.6902 k =-0.4149 0.3666 0.0000 ( 5860 PWs) bands (ev): -19.4681 -19.4681 -19.4476 -19.4476 -13.9576 -13.9576 -13.9508 -13.9508 -8.9974 -8.9971 -8.9439 -8.9397 -8.8750 -8.8707 -8.7221 -8.7219 -7.6532 -7.6532 -7.6452 -7.6451 -4.1470 -4.1440 -4.0783 -4.0778 -3.0604 -3.0461 -2.6882 -2.6827 -2.5390 -2.5338 -2.5128 -2.5035 -1.3603 -1.3487 -1.1896 -1.1890 -1.1834 -1.1722 -0.5206 -0.5158 6.2632 6.2660 6.9944 6.9953 7.2650 7.2674 7.6886 7.6898 k =-0.4255 0.3760-0.0000 ( 5860 PWs) bands (ev): -19.4674 -19.4674 -19.4470 -19.4470 -13.9570 -13.9570 -13.9498 -13.9498 -9.0038 -9.0035 -8.9473 -8.9438 -8.8744 -8.8708 -8.7221 -8.7219 -7.6563 -7.6563 -7.6472 -7.6470 -4.1459 -4.1433 -4.0709 -4.0706 -3.0552 -3.0425 -2.6796 -2.6742 -2.5438 -2.5388 -2.5154 -2.5070 -1.3722 -1.3625 -1.1963 -1.1918 -1.1822 -1.1769 -0.5141 -0.5098 6.2496 6.2521 6.9833 6.9840 7.2510 7.2531 7.6885 7.6896 k =-0.4362 0.3854-0.0000 ( 5856 PWs) bands (ev): -19.4668 -19.4668 -19.4465 -19.4465 -13.9564 -13.9564 -13.9489 -13.9489 -9.0094 -9.0091 -8.9506 -8.9477 -8.8737 -8.8708 -8.7220 -8.7218 -7.6591 -7.6590 -7.6488 -7.6487 -4.1450 -4.1427 -4.0644 -4.0642 -3.0503 -3.0392 -2.6717 -2.6666 -2.5482 -2.5434 -2.5178 -2.5104 -1.3827 -1.3748 -1.2022 -1.1969 -1.1810 -1.1782 -0.5083 -0.5046 6.2377 6.2398 6.9729 6.9735 7.2378 7.2395 7.6885 7.6894 k =-0.4468 0.3948 0.0000 ( 5852 PWs) bands (ev): -19.4663 -19.4663 -19.4461 -19.4461 -13.9559 -13.9559 -13.9482 -13.9482 -9.0142 -9.0140 -8.9534 -8.9512 -8.8729 -8.8706 -8.7219 -8.7218 -7.6614 -7.6613 -7.6502 -7.6501 -4.1442 -4.1423 -4.0588 -4.0586 -3.0457 -3.0363 -2.6646 -2.6599 -2.5520 -2.5476 -2.5198 -2.5135 -1.3917 -1.3854 -1.2072 -1.2023 -1.1798 -1.1782 -0.5033 -0.5002 6.2274 6.2292 6.9636 6.9641 7.2258 7.2271 7.6886 7.6893 k =-0.4574 0.4042-0.0000 ( 5862 PWs) bands (ev): -19.4659 -19.4659 -19.4458 -19.4458 -13.9555 -13.9555 -13.9476 -13.9476 -9.0182 -9.0181 -8.9560 -8.9542 -8.8723 -8.8705 -8.7218 -8.7217 -7.6633 -7.6632 -7.6514 -7.6513 -4.1435 -4.1420 -4.0541 -4.0540 -3.0415 -3.0339 -2.6586 -2.6544 -2.5553 -2.5514 -2.5214 -2.5163 -1.3991 -1.3942 -1.2112 -1.2072 -1.1789 -1.1778 -0.4992 -0.4967 6.2190 6.2204 6.9557 6.9560 7.2154 7.2165 7.6886 7.6891 k =-0.4681 0.4136-0.0000 ( 5862 PWs) bands (ev): -19.4656 -19.4656 -19.4455 -19.4455 -13.9552 -13.9552 -13.9471 -13.9471 -9.0214 -9.0213 -8.9580 -8.9567 -8.8717 -8.8704 -8.7218 -8.7217 -7.6648 -7.6647 -7.6523 -7.6522 -4.1429 -4.1418 -4.0504 -4.0503 -3.0379 -3.0322 -2.6535 -2.6502 -2.5578 -2.5546 -2.5225 -2.5186 -1.4048 -1.4012 -1.2142 -1.2112 -1.1781 -1.1774 -0.4959 -0.4940 6.2124 6.2134 6.9493 6.9495 7.2071 7.2079 7.6886 7.6890 k =-0.4787 0.4230 0.0000 ( 5868 PWs) bands (ev): -19.4653 -19.4653 -19.4453 -19.4453 -13.9549 -13.9549 -13.9467 -13.9467 -9.0237 -9.0236 -8.9594 -8.9586 -8.8712 -8.8703 -8.7218 -8.7217 -7.6658 -7.6658 -7.6529 -7.6529 -4.1425 -4.1417 -4.0478 -4.0477 -3.0350 -3.0311 -2.6496 -2.6472 -2.5595 -2.5573 -2.5232 -2.5205 -1.4087 -1.4064 -1.2162 -1.2143 -1.1775 -1.1771 -0.4934 -0.4922 6.2077 6.2084 6.9446 6.9448 7.2011 7.2016 7.6886 7.6889 k =-0.4894 0.4324 0.0000 ( 5870 PWs) bands (ev): -19.4652 -19.4652 -19.4452 -19.4452 -13.9548 -13.9548 -13.9465 -13.9465 -9.0251 -9.0250 -8.9602 -8.9598 -8.8708 -8.8704 -8.7218 -8.7217 -7.6665 -7.6665 -7.6533 -7.6533 -4.1421 -4.1417 -4.0462 -4.0461 -3.0329 -3.0309 -2.6469 -2.6457 -2.5603 -2.5591 -2.5233 -2.5220 -1.4109 -1.4098 -1.2172 -1.2163 -1.1771 -1.1769 -0.4918 -0.4912 6.2049 6.2053 6.9418 6.9419 7.1975 7.1977 7.6886 7.6888 k =-0.5000 0.4418 0.0000 ( 5870 PWs) bands (ev): -19.4652 -19.4652 -19.4452 -19.4452 -13.9547 -13.9547 -13.9464 -13.9464 -9.0255 -9.0255 -8.9603 -8.9603 -8.8705 -8.8705 -8.7218 -8.7218 -7.6667 -7.6667 -7.6534 -7.6534 -4.1419 -4.1419 -4.0456 -4.0456 -3.0315 -3.0315 -2.6456 -2.6456 -2.5602 -2.5602 -2.5229 -2.5229 -1.4113 -1.4113 -1.2173 -1.2173 -1.1769 -1.1769 -0.4911 -0.4911 6.2041 6.2041 6.9409 6.9409 7.1963 7.1963 7.6887 7.6887 k =-0.5000 0.4418 0.0000 ( 5870 PWs) bands (ev): -19.4652 -19.4652 -19.4452 -19.4452 -13.9547 -13.9547 -13.9464 -13.9464 -9.0255 -9.0255 -8.9603 -8.9603 -8.8705 -8.8705 -8.7218 -8.7218 -7.6667 -7.6667 -7.6534 -7.6534 -4.1419 -4.1419 -4.0456 -4.0456 -3.0315 -3.0315 -2.6456 -2.6456 -2.5602 -2.5602 -2.5229 -2.5229 -1.4113 -1.4113 -1.2173 -1.2173 -1.1769 -1.1769 -0.4911 -0.4911 6.2041 6.2041 6.9409 6.9409 7.1963 7.1963 7.6887 7.6887 k =-0.4909 0.4522-0.0000 ( 5872 PWs) bands (ev): -19.4652 -19.4652 -19.4452 -19.4452 -13.9551 -13.9551 -13.9463 -13.9463 -9.0253 -9.0253 -8.9601 -8.9601 -8.8706 -8.8706 -8.7218 -8.7217 -7.6665 -7.6663 -7.6526 -7.6525 -4.1437 -4.1423 -4.0449 -4.0445 -3.0316 -3.0316 -2.6457 -2.6455 -2.5618 -2.5612 -2.5215 -2.5214 -1.4111 -1.4106 -1.2249 -1.2188 -1.1763 -1.1713 -0.4909 -0.4909 6.2002 6.2005 6.9428 6.9430 7.1966 7.1969 7.6928 7.6933 k =-0.4817 0.4625-0.0000 ( 5872 PWs) bands (ev): -19.4652 -19.4652 -19.4452 -19.4452 -13.9563 -13.9562 -13.9459 -13.9459 -9.0247 -9.0247 -8.9596 -8.9596 -8.8707 -8.8707 -8.7218 -8.7217 -7.6658 -7.6653 -7.6502 -7.6499 -4.1476 -4.1448 -4.0426 -4.0419 -3.0319 -3.0318 -2.6459 -2.6456 -2.5657 -2.5646 -2.5177 -2.5175 -1.4100 -1.4091 -1.2377 -1.2285 -1.1705 -1.1634 -0.4905 -0.4904 6.1893 6.1899 6.9486 6.9490 7.1977 7.1982 7.7057 7.7065 k =-0.4726 0.4728-0.0000 ( 5862 PWs) bands (ev): -19.4653 -19.4653 -19.4453 -19.4453 -13.9579 -13.9579 -13.9455 -13.9455 -9.0237 -9.0237 -8.9588 -8.9588 -8.8709 -8.8708 -8.7218 -8.7218 -7.6642 -7.6636 -7.6462 -7.6459 -4.1531 -4.1493 -4.0388 -4.0380 -3.0323 -3.0322 -2.6463 -2.6457 -2.5709 -2.5695 -2.5124 -2.5119 -1.4082 -1.4068 -1.2533 -1.2424 -1.1632 -1.1556 -0.4897 -0.4895 6.1722 6.1730 6.9576 6.9582 7.1993 7.2000 7.7272 7.7282 k =-0.4635 0.4832-0.0000 ( 5862 PWs) bands (ev): -19.4655 -19.4655 -19.4455 -19.4455 -13.9600 -13.9599 -13.9453 -13.9452 -9.0223 -9.0223 -8.9576 -8.9576 -8.8712 -8.8711 -8.7219 -8.7218 -7.6619 -7.6611 -7.6409 -7.6405 -4.1598 -4.1551 -4.0341 -4.0334 -3.0329 -3.0327 -2.6468 -2.6460 -2.5770 -2.5753 -2.5062 -2.5053 -1.4057 -1.4036 -1.2708 -1.2584 -1.1564 -1.1486 -0.4885 -0.4884 6.1500 6.1509 6.9688 6.9697 7.2013 7.2019 7.7570 7.7582 k =-0.4543 0.4935-0.0000 ( 5858 PWs) bands (ev): -19.4656 -19.4656 -19.4456 -19.4456 -13.9623 -13.9623 -13.9451 -13.9451 -9.0205 -9.0205 -8.9561 -8.9560 -8.8715 -8.8714 -8.7220 -8.7218 -7.6586 -7.6578 -7.6343 -7.6339 -4.1674 -4.1619 -4.0288 -4.0283 -3.0336 -3.0334 -2.6474 -2.6463 -2.5836 -2.5817 -2.4994 -2.4980 -1.4026 -1.3996 -1.2898 -1.2757 -1.1507 -1.1429 -0.4871 -0.4869 6.1240 6.1250 6.9810 6.9822 7.2037 7.2040 7.7947 7.7960 k =-0.4452 0.5038-0.0000 ( 5854 PWs) bands (ev): -19.4659 -19.4659 -19.4459 -19.4459 -13.9649 -13.9649 -13.9452 -13.9451 -9.0183 -9.0183 -8.9542 -8.9542 -8.8720 -8.8719 -8.7221 -8.7219 -7.6545 -7.6536 -7.6266 -7.6262 -4.1754 -4.1694 -4.0233 -4.0230 -3.0344 -3.0342 -2.6482 -2.6468 -2.5907 -2.5887 -2.4921 -2.4902 -1.3991 -1.3947 -1.3098 -1.2938 -1.1462 -1.1384 -0.4854 -0.4852 6.0956 6.0965 6.9929 6.9944 7.2065 7.2067 7.8397 7.8409 k =-0.4452 0.5038-0.0000 ( 5854 PWs) bands (ev): -19.4659 -19.4659 -19.4459 -19.4459 -13.9649 -13.9649 -13.9452 -13.9451 -9.0183 -9.0183 -8.9542 -8.9542 -8.8720 -8.8719 -8.7221 -8.7219 -7.6545 -7.6536 -7.6266 -7.6262 -4.1754 -4.1694 -4.0233 -4.0230 -3.0344 -3.0342 -2.6482 -2.6468 -2.5907 -2.5887 -2.4921 -2.4902 -1.3991 -1.3947 -1.3098 -1.2938 -1.1462 -1.1384 -0.4854 -0.4852 6.0956 6.0965 6.9929 6.9944 7.2065 7.2067 7.8397 7.8409 k =-0.4452 0.5038 0.0142 ( 5856 PWs) bands (ev): -19.4658 -19.4658 -19.4459 -19.4459 -13.9649 -13.9649 -13.9452 -13.9452 -9.0182 -9.0182 -8.9543 -8.9543 -8.8716 -8.8715 -8.7222 -8.7221 -7.6546 -7.6537 -7.6267 -7.6264 -4.1752 -4.1692 -4.0235 -4.0233 -3.0340 -3.0338 -2.6492 -2.6478 -2.5906 -2.5886 -2.4923 -2.4904 -1.3973 -1.3928 -1.3093 -1.2932 -1.1462 -1.1384 -0.4868 -0.4866 6.0945 6.0954 6.9941 6.9956 7.2059 7.2061 7.8324 7.8335 k =-0.4452 0.5038 0.0284 ( 5858 PWs) bands (ev): -19.4657 -19.4657 -19.4460 -19.4460 -13.9648 -13.9648 -13.9453 -13.9453 -9.0179 -9.0179 -8.9547 -8.9546 -8.8706 -8.8705 -8.7227 -8.7225 -7.6549 -7.6540 -7.6272 -7.6269 -4.1745 -4.1686 -4.0243 -4.0241 -3.0327 -3.0325 -2.6524 -2.6511 -2.5902 -2.5884 -2.4929 -2.4910 -1.3919 -1.3871 -1.3079 -1.2915 -1.1464 -1.1386 -0.4909 -0.4907 6.0913 6.0922 6.9972 6.9988 7.2036 7.2038 7.8140 7.8149 k =-0.4452 0.5038 0.0426 ( 5854 PWs) bands (ev): -19.4656 -19.4656 -19.4462 -19.4462 -13.9647 -13.9646 -13.9455 -13.9455 -9.0173 -9.0173 -8.9552 -8.9552 -8.8690 -8.8689 -8.7235 -8.7233 -7.6553 -7.6544 -7.6280 -7.6277 -4.1734 -4.1675 -4.0256 -4.0254 -3.0304 -3.0303 -2.6575 -2.6564 -2.5896 -2.5879 -2.4939 -2.4920 -1.3830 -1.3778 -1.3055 -1.2886 -1.1468 -1.1389 -0.4978 -0.4976 6.0863 6.0873 7.0010 7.0029 7.1986 7.1994 7.7922 7.7930 k =-0.4452 0.5038 0.0568 ( 5858 PWs) bands (ev): -19.4653 -19.4653 -19.4464 -19.4464 -13.9644 -13.9644 -13.9458 -13.9457 -9.0166 -9.0166 -8.9559 -8.9559 -8.8667 -8.8666 -8.7246 -8.7244 -7.6558 -7.6550 -7.6291 -7.6288 -4.1718 -4.1660 -4.0274 -4.0273 -3.0274 -3.0272 -2.6647 -2.6637 -2.5888 -2.5872 -2.4953 -2.4934 -1.3710 -1.3650 -1.3022 -1.2844 -1.1473 -1.1393 -0.5074 -0.5072 6.0803 6.0813 7.0030 7.0053 7.1908 7.1926 7.7746 7.7754 k =-0.4452 0.5038 0.0710 ( 5853 PWs) bands (ev): -19.4650 -19.4650 -19.4467 -19.4467 -13.9642 -13.9642 -13.9461 -13.9461 -9.0156 -9.0156 -8.9569 -8.9569 -8.8637 -8.8636 -8.7260 -8.7259 -7.6565 -7.6556 -7.6305 -7.6302 -4.1698 -4.1641 -4.0297 -4.0297 -3.0234 -3.0232 -2.6736 -2.6728 -2.5877 -2.5863 -2.4971 -2.4952 -1.3561 -1.3489 -1.2980 -1.2789 -1.1479 -1.1398 -0.5196 -0.5194 6.0739 6.0749 6.9989 7.0017 7.1827 7.1855 7.7665 7.7676 k =-0.4452 0.5038 0.0852 ( 5852 PWs) bands (ev): -19.4647 -19.4647 -19.4471 -19.4471 -13.9639 -13.9638 -13.9465 -13.9465 -9.0144 -9.0144 -8.9581 -8.9581 -8.8602 -8.8601 -8.7278 -8.7277 -7.6572 -7.6564 -7.6321 -7.6319 -4.1674 -4.1617 -4.0327 -4.0325 -3.0186 -3.0184 -2.6842 -2.6836 -2.5864 -2.5851 -2.4993 -2.4973 -1.3391 -1.3298 -1.2930 -1.2716 -1.1488 -1.1404 -0.5344 -0.5341 6.0678 6.0688 6.9830 6.9860 7.1794 7.1832 7.7702 7.7717 k =-0.4452 0.5038 0.0994 ( 5856 PWs) bands (ev): -19.4643 -19.4643 -19.4475 -19.4475 -13.9635 -13.9635 -13.9469 -13.9469 -9.0131 -9.0131 -8.9594 -8.9594 -8.8561 -8.8560 -8.7300 -8.7298 -7.6580 -7.6572 -7.6340 -7.6337 -4.1645 -4.1590 -4.0361 -4.0357 -3.0129 -3.0127 -2.6962 -2.6957 -2.5848 -2.5836 -2.5018 -2.4998 -1.3209 -1.3081 -1.2872 -1.2619 -1.1500 -1.1412 -0.5516 -0.5514 6.0628 6.0639 6.9517 6.9546 7.1857 7.1899 7.7850 7.7868 k =-0.4452 0.5038 0.1136 ( 5856 PWs) bands (ev): -19.4638 -19.4638 -19.4480 -19.4480 -13.9630 -13.9630 -13.9474 -13.9474 -9.0116 -9.0116 -8.9610 -8.9610 -8.8516 -8.8515 -8.7325 -8.7323 -7.6588 -7.6581 -7.6360 -7.6358 -4.1612 -4.1558 -4.0399 -4.0394 -3.0063 -3.0061 -2.7094 -2.7090 -2.5830 -2.5818 -2.5046 -2.5026 -1.3031 -1.2855 -1.2793 -1.2486 -1.1514 -1.1419 -0.5712 -0.5710 6.0596 6.0607 6.9066 6.9090 7.2019 7.2062 7.8082 7.8101 k =-0.4452 0.5038 0.1278 ( 5852 PWs) bands (ev): -19.4632 -19.4632 -19.4485 -19.4485 -13.9626 -13.9625 -13.9480 -13.9480 -9.0099 -9.0099 -8.9627 -8.9627 -8.8465 -8.8464 -8.7353 -8.7352 -7.6596 -7.6589 -7.6382 -7.6380 -4.1575 -4.1522 -4.0443 -4.0435 -2.9989 -2.9987 -2.7236 -2.7233 -2.5809 -2.5798 -2.5077 -2.5057 -1.2874 -1.2750 -1.2571 -1.2303 -1.1532 -1.1424 -0.5931 -0.5929 6.0589 6.0600 6.8518 6.8537 7.2258 7.2300 7.8355 7.8374 k =-0.4452 0.5038 0.1420 ( 5862 PWs) bands (ev): -19.4627 -19.4627 -19.4491 -19.4491 -13.9620 -13.9620 -13.9486 -13.9486 -9.0080 -9.0080 -8.9646 -8.9646 -8.8411 -8.8410 -8.7386 -8.7385 -7.6603 -7.6596 -7.6404 -7.6403 -4.1534 -4.1483 -4.0490 -4.0481 -2.9907 -2.9905 -2.7386 -2.7384 -2.5785 -2.5774 -2.5111 -2.5090 -1.2743 -1.2675 -1.2306 -1.2070 -1.1552 -1.1420 -0.6171 -0.6169 6.0612 6.0623 6.7911 6.7926 7.2555 7.2597 7.8621 7.8638 k =-0.4452 0.5038 0.1561 ( 5856 PWs) bands (ev): -19.4620 -19.4620 -19.4497 -19.4497 -13.9614 -13.9614 -13.9493 -13.9493 -9.0060 -9.0060 -8.9666 -8.9666 -8.8353 -8.8352 -8.7422 -8.7421 -7.6610 -7.6603 -7.6427 -7.6426 -4.1489 -4.1440 -4.0541 -4.0529 -2.9816 -2.9814 -2.7542 -2.7541 -2.5759 -2.5748 -2.5147 -2.5126 -1.2632 -1.2598 -1.2052 -1.1799 -1.1574 -1.1390 -0.6431 -0.6429 6.0670 6.0681 6.7274 6.7286 7.2897 7.2938 7.8824 7.8836 k =-0.4452 0.5038 0.1703 ( 5860 PWs) bands (ev): -19.4614 -19.4614 -19.4504 -19.4504 -13.9608 -13.9608 -13.9500 -13.9500 -9.0039 -9.0039 -8.9688 -8.9688 -8.8292 -8.8291 -8.7463 -8.7461 -7.6614 -7.6608 -7.6451 -7.6450 -4.1441 -4.1394 -4.0595 -4.0581 -2.9718 -2.9716 -2.7703 -2.7702 -2.5731 -2.5719 -2.5184 -2.5164 -1.2533 -1.2520 -1.1858 -1.1624 -1.1474 -1.1289 -0.6709 -0.6707 6.0767 6.0777 6.6627 6.6637 7.3275 7.3315 7.8915 7.8919 k =-0.4452 0.5038 0.1845 ( 5863 PWs) bands (ev): -19.4607 -19.4607 -19.4511 -19.4511 -13.9602 -13.9601 -13.9507 -13.9507 -9.0016 -9.0016 -8.9711 -8.9711 -8.8229 -8.8228 -8.7507 -8.7505 -7.6617 -7.6612 -7.6474 -7.6474 -4.1390 -4.1344 -4.0652 -4.0636 -2.9611 -2.9609 -2.7866 -2.7866 -2.5700 -2.5688 -2.5224 -2.5203 -1.2440 -1.2440 -1.1771 -1.1651 -1.1158 -1.1074 -0.7004 -0.7002 6.0905 6.0915 6.5985 6.5994 7.3684 7.3724 7.8857 7.8863 k =-0.4452 0.5038 0.1987 ( 5865 PWs) bands (ev): -19.4599 -19.4599 -19.4519 -19.4519 -13.9595 -13.9594 -13.9515 -13.9515 -8.9992 -8.9992 -8.9735 -8.9735 -8.8165 -8.8163 -8.7554 -8.7553 -7.6619 -7.6613 -7.6497 -7.6496 -4.1335 -4.1292 -4.0711 -4.0693 -2.9497 -2.9495 -2.8030 -2.8030 -2.5667 -2.5654 -2.5265 -2.5244 -1.2359 -1.2352 -1.1758 -1.1689 -1.0819 -1.0779 -0.7314 -0.7313 6.1088 6.1097 6.5359 6.5367 7.4120 7.4158 7.8657 7.8671 k =-0.4452 0.5038 0.2129 ( 5867 PWs) bands (ev): -19.4592 -19.4592 -19.4526 -19.4526 -13.9587 -13.9587 -13.9523 -13.9523 -8.9968 -8.9968 -8.9760 -8.9760 -8.8099 -8.8098 -8.7605 -8.7604 -7.6617 -7.6613 -7.6518 -7.6518 -4.1278 -4.1237 -4.0773 -4.0752 -2.9376 -2.9374 -2.8194 -2.8193 -2.5632 -2.5618 -2.5306 -2.5287 -1.2279 -1.2268 -1.1779 -1.1734 -1.0469 -1.0449 -0.7638 -0.7637 6.1316 6.1325 6.4757 6.4764 7.4577 7.4615 7.8345 7.8366 k =-0.4452 0.5038 0.2271 ( 5861 PWs) bands (ev): -19.4584 -19.4584 -19.4534 -19.4534 -13.9580 -13.9580 -13.9531 -13.9531 -8.9942 -8.9942 -8.9785 -8.9785 -8.8032 -8.8031 -8.7659 -8.7658 -7.6614 -7.6609 -7.6539 -7.6537 -4.1218 -4.1179 -4.0836 -4.0812 -2.9247 -2.9246 -2.8356 -2.8356 -2.5595 -2.5580 -2.5349 -2.5329 -1.2201 -1.2187 -1.1817 -1.1784 -1.0112 -1.0101 -0.7973 -0.7972 6.1590 6.1599 6.4185 6.4192 7.5052 7.5090 7.7952 7.7978 k =-0.4452 0.5038 0.2413 ( 5856 PWs) bands (ev): -19.4575 -19.4575 -19.4542 -19.4542 -13.9572 -13.9572 -13.9539 -13.9539 -8.9916 -8.9916 -8.9811 -8.9811 -8.7966 -8.7965 -8.7716 -8.7715 -7.6607 -7.6604 -7.6557 -7.6555 -4.1156 -4.1120 -4.0900 -4.0874 -2.9112 -2.9111 -2.8516 -2.8515 -2.5556 -2.5541 -2.5391 -2.5372 -1.2125 -1.2109 -1.1865 -1.1839 -0.9751 -0.9745 -0.8317 -0.8317 6.1911 6.1919 6.3647 6.3654 7.5541 7.5578 7.7508 7.7537 k =-0.4452 0.5038 0.2555 ( 5848 PWs) bands (ev): -19.4567 -19.4567 -19.4550 -19.4550 -13.9564 -13.9564 -13.9548 -13.9547 -8.9890 -8.9890 -8.9837 -8.9837 -8.7901 -8.7900 -8.7776 -8.7774 -7.6598 -7.6595 -7.6573 -7.6571 -4.1093 -4.1059 -4.0965 -4.0936 -2.8971 -2.8970 -2.8672 -2.8671 -2.5516 -2.5500 -2.5433 -2.5415 -1.2053 -1.2035 -1.1922 -1.1900 -0.9389 -0.9385 -0.8669 -0.8669 6.2279 6.2286 6.3149 6.3156 7.6038 7.6074 7.7031 7.7063 k =-0.4452 0.5038 0.2697 ( 5848 PWs) bands (ev): -19.4559 -19.4559 -19.4559 -19.4559 -13.9556 -13.9556 -13.9556 -13.9556 -8.9864 -8.9864 -8.9864 -8.9864 -8.7837 -8.7837 -8.7836 -8.7836 -7.6587 -7.6587 -7.6584 -7.6584 -4.1029 -4.1029 -4.0998 -4.0998 -2.8824 -2.8824 -2.8823 -2.8823 -2.5475 -2.5475 -2.5458 -2.5458 -1.1985 -1.1985 -1.1965 -1.1965 -0.9027 -0.9027 -0.9026 -0.9026 6.2692 6.2692 6.2699 6.2699 7.6538 7.6538 7.6572 7.6572 k =-0.4452 0.5038 0.2697 ( 5848 PWs) bands (ev): -19.4559 -19.4559 -19.4559 -19.4559 -13.9556 -13.9556 -13.9556 -13.9556 -8.9864 -8.9864 -8.9864 -8.9864 -8.7837 -8.7837 -8.7836 -8.7836 -7.6587 -7.6587 -7.6584 -7.6584 -4.1029 -4.1029 -4.0998 -4.0998 -2.8824 -2.8824 -2.8823 -2.8823 -2.5475 -2.5475 -2.5458 -2.5458 -1.1985 -1.1985 -1.1965 -1.1965 -0.9027 -0.9027 -0.9026 -0.9026 6.2692 6.2692 6.2699 6.2699 7.6538 7.6538 7.6572 7.6572 k =-0.4543 0.4935 0.2697 ( 5860 PWs) bands (ev): -19.4557 -19.4557 -19.4557 -19.4557 -13.9542 -13.9542 -13.9542 -13.9542 -8.9884 -8.9884 -8.9884 -8.9884 -8.7835 -8.7835 -8.7834 -8.7834 -7.6646 -7.6646 -7.6644 -7.6644 -4.1004 -4.1004 -4.0977 -4.0977 -2.8820 -2.8820 -2.8819 -2.8819 -2.5489 -2.5489 -2.5474 -2.5474 -1.1903 -1.1903 -1.1887 -1.1887 -0.9058 -0.9058 -0.9057 -0.9057 6.2754 6.2754 6.2761 6.2761 7.6497 7.6497 7.6527 7.6527 k =-0.4635 0.4832 0.2697 ( 5856 PWs) bands (ev): -19.4555 -19.4555 -19.4555 -19.4555 -13.9531 -13.9531 -13.9531 -13.9531 -8.9900 -8.9900 -8.9900 -8.9900 -8.7833 -8.7833 -8.7832 -8.7832 -7.6695 -7.6695 -7.6693 -7.6693 -4.0983 -4.0983 -4.0961 -4.0961 -2.8816 -2.8816 -2.8815 -2.8815 -2.5501 -2.5501 -2.5489 -2.5489 -1.1834 -1.1834 -1.1821 -1.1821 -0.9083 -0.9083 -0.9082 -0.9082 6.2811 6.2811 6.2816 6.2816 7.6450 7.6450 7.6475 7.6475 k =-0.4726 0.4728 0.2697 ( 5868 PWs) bands (ev): -19.4553 -19.4553 -19.4553 -19.4553 -13.9522 -13.9522 -13.9522 -13.9522 -8.9914 -8.9914 -8.9914 -8.9914 -8.7831 -8.7831 -8.7831 -8.7831 -7.6734 -7.6734 -7.6732 -7.6732 -4.0965 -4.0965 -4.0948 -4.0948 -2.8813 -2.8813 -2.8813 -2.8813 -2.5510 -2.5510 -2.5501 -2.5501 -1.1779 -1.1779 -1.1770 -1.1770 -0.9103 -0.9103 -0.9102 -0.9102 6.2859 6.2859 6.2863 6.2863 7.6404 7.6404 7.6423 7.6423 k =-0.4817 0.4625 0.2697 ( 5872 PWs) bands (ev): -19.4552 -19.4552 -19.4552 -19.4552 -13.9516 -13.9516 -13.9516 -13.9516 -8.9923 -8.9923 -8.9923 -8.9923 -8.7830 -8.7830 -8.7830 -8.7830 -7.6762 -7.6762 -7.6761 -7.6761 -4.0951 -4.0951 -4.0940 -4.0940 -2.8811 -2.8811 -2.8811 -2.8811 -2.5516 -2.5516 -2.5510 -2.5510 -1.1739 -1.1739 -1.1733 -1.1733 -0.9117 -0.9117 -0.9117 -0.9117 6.2896 6.2896 6.2899 6.2899 7.6366 7.6366 7.6379 7.6379 k =-0.4909 0.4522 0.2697 ( 5864 PWs) bands (ev): -19.4552 -19.4552 -19.4552 -19.4552 -13.9512 -13.9512 -13.9512 -13.9512 -8.9929 -8.9929 -8.9929 -8.9929 -8.7829 -8.7829 -8.7829 -8.7829 -7.6778 -7.6778 -7.6778 -7.6778 -4.0942 -4.0942 -4.0936 -4.0936 -2.8810 -2.8810 -2.8809 -2.8809 -2.5519 -2.5519 -2.5516 -2.5516 -1.1714 -1.1714 -1.1711 -1.1711 -0.9125 -0.9125 -0.9125 -0.9125 6.2919 6.2919 6.2921 6.2921 7.6342 7.6342 7.6349 7.6349 k =-0.5000 0.4418 0.2697 ( 5876 PWs) bands (ev): -19.4552 -19.4552 -19.4552 -19.4552 -13.9511 -13.9511 -13.9511 -13.9511 -8.9931 -8.9931 -8.9931 -8.9931 -8.7829 -8.7829 -8.7829 -8.7829 -7.6784 -7.6784 -7.6784 -7.6784 -4.0937 -4.0937 -4.0937 -4.0937 -2.8809 -2.8809 -2.8809 -2.8809 -2.5519 -2.5519 -2.5519 -2.5519 -1.1705 -1.1705 -1.1705 -1.1705 -0.9128 -0.9128 -0.9128 -0.9128 6.2928 6.2928 6.2928 6.2928 7.6336 7.6336 7.6336 7.6336 k =-0.5000 0.4418 0.2697 ( 5876 PWs) bands (ev): -19.4552 -19.4552 -19.4552 -19.4552 -13.9511 -13.9511 -13.9511 -13.9511 -8.9931 -8.9931 -8.9931 -8.9931 -8.7829 -8.7829 -8.7829 -8.7829 -7.6784 -7.6784 -7.6784 -7.6784 -4.0937 -4.0937 -4.0937 -4.0937 -2.8809 -2.8809 -2.8809 -2.8809 -2.5519 -2.5519 -2.5519 -2.5519 -1.1705 -1.1705 -1.1705 -1.1705 -0.9128 -0.9128 -0.9128 -0.9128 6.2928 6.2928 6.2928 6.2928 7.6336 7.6336 7.6336 7.6336 k =-0.5000 0.4418 0.2555 ( 5870 PWs) bands (ev): -19.4560 -19.4560 -19.4543 -19.4543 -13.9514 -13.9514 -13.9507 -13.9507 -8.9958 -8.9958 -8.9903 -8.9903 -8.7892 -8.7892 -8.7768 -8.7768 -7.6789 -7.6789 -7.6776 -7.6776 -4.0978 -4.0978 -4.0895 -4.0895 -2.8955 -2.8955 -2.8658 -2.8658 -2.5537 -2.5537 -2.5501 -2.5501 -1.1724 -1.1724 -1.1691 -1.1691 -0.9491 -0.9491 -0.8768 -0.8768 6.2537 6.2537 6.3365 6.3365 7.5961 7.5961 7.6682 7.6682 k =-0.5000 0.4418 0.2413 ( 5864 PWs) bands (ev): -19.4568 -19.4568 -19.4535 -19.4535 -13.9517 -13.9517 -13.9504 -13.9504 -8.9984 -8.9984 -8.9876 -8.9876 -8.7956 -8.7956 -8.7708 -8.7708 -7.6791 -7.6791 -7.6766 -7.6766 -4.1020 -4.1020 -4.0853 -4.0853 -2.9095 -2.9095 -2.8503 -2.8503 -2.5553 -2.5553 -2.5480 -2.5480 -1.1749 -1.1749 -1.1682 -1.1682 -0.9854 -0.9854 -0.8412 -0.8412 6.2194 6.2194 6.3845 6.3845 7.5575 7.5575 7.6980 7.6980 k =-0.5000 0.4418 0.2271 ( 5872 PWs) bands (ev): -19.4576 -19.4576 -19.4527 -19.4527 -13.9521 -13.9521 -13.9500 -13.9500 -9.0011 -9.0011 -8.9850 -8.9850 -8.8022 -8.8022 -8.7652 -8.7652 -7.6791 -7.6791 -7.6754 -7.6754 -4.1061 -4.1061 -4.0812 -4.0812 -2.9229 -2.9229 -2.8344 -2.8344 -2.5567 -2.5567 -2.5460 -2.5460 -1.1780 -1.1780 -1.1680 -1.1680 -1.0214 -1.0214 -0.8065 -0.8065 6.1901 6.1901 6.4364 6.4364 7.5191 7.5191 7.7205 7.7205 k =-0.5000 0.4418 0.2129 ( 5874 PWs) bands (ev): -19.4584 -19.4584 -19.4519 -19.4519 -13.9524 -13.9524 -13.9497 -13.9497 -9.0036 -9.0036 -8.9825 -8.9825 -8.8087 -8.8087 -8.7599 -8.7599 -7.6789 -7.6789 -7.6740 -7.6740 -4.1101 -4.1101 -4.0772 -4.0772 -2.9356 -2.9356 -2.8182 -2.8182 -2.5580 -2.5580 -2.5438 -2.5438 -1.1817 -1.1817 -1.1686 -1.1686 -1.0564 -1.0564 -0.7726 -0.7726 6.1657 6.1657 6.4917 6.4917 7.4821 7.4821 7.7327 7.7327 k =-0.5000 0.4418 0.1987 ( 5856 PWs) bands (ev): -19.4592 -19.4592 -19.4511 -19.4511 -13.9527 -13.9527 -13.9493 -13.9493 -9.0061 -9.0061 -8.9799 -8.9799 -8.8152 -8.8152 -8.7548 -8.7548 -7.6784 -7.6784 -7.6724 -7.6724 -4.1139 -4.1139 -4.0734 -4.0734 -2.9477 -2.9477 -2.8018 -2.8018 -2.5590 -2.5590 -2.5417 -2.5417 -1.1863 -1.1863 -1.1701 -1.1701 -1.0898 -1.0898 -0.7399 -0.7399 6.1464 6.1464 6.5497 6.5497 7.4475 7.4475 7.7321 7.7321 k =-0.5000 0.4418 0.1845 ( 5848 PWs) bands (ev): -19.4599 -19.4599 -19.4504 -19.4504 -13.9529 -13.9529 -13.9490 -13.9490 -9.0085 -9.0085 -8.9775 -8.9775 -8.8216 -8.8216 -8.7501 -8.7501 -7.6777 -7.6777 -7.6707 -7.6707 -4.1175 -4.1175 -4.0697 -4.0697 -2.9590 -2.9590 -2.7854 -2.7854 -2.5598 -2.5598 -2.5395 -2.5395 -1.1927 -1.1927 -1.1732 -1.1732 -1.1196 -1.1196 -0.7085 -0.7085 6.1321 6.1321 6.6095 6.6095 7.4165 7.4165 7.7174 7.7174 k =-0.5000 0.4418 0.1703 ( 5844 PWs) bands (ev): -19.4606 -19.4606 -19.4497 -19.4497 -13.9532 -13.9532 -13.9486 -13.9486 -9.0108 -9.0108 -8.9751 -8.9751 -8.8279 -8.8279 -8.7457 -8.7457 -7.6768 -7.6768 -7.6689 -7.6689 -4.1210 -4.1210 -4.0663 -4.0663 -2.9695 -2.9695 -2.7691 -2.7691 -2.5605 -2.5605 -2.5374 -2.5374 -1.2034 -1.2034 -1.1787 -1.1787 -1.1423 -1.1423 -0.6787 -0.6787 6.1226 6.1226 6.6698 6.6698 7.3904 7.3904 7.6890 7.6890 k =-0.5000 0.4418 0.1561 ( 5848 PWs) bands (ev): -19.4613 -19.4613 -19.4490 -19.4490 -13.9534 -13.9534 -13.9483 -13.9483 -9.0130 -9.0130 -8.9729 -8.9729 -8.8339 -8.8339 -8.7418 -8.7418 -7.6758 -7.6758 -7.6670 -7.6670 -4.1242 -4.1242 -4.0630 -4.0630 -2.9793 -2.9793 -2.7530 -2.7530 -2.5609 -2.5609 -2.5353 -2.5353 -1.2221 -1.2221 -1.1855 -1.1855 -1.1548 -1.1548 -0.6506 -0.6506 6.1177 6.1177 6.7290 6.7290 7.3707 7.3707 7.6490 7.6490 k =-0.5000 0.4418 0.1420 ( 5844 PWs) bands (ev): -19.4619 -19.4619 -19.4484 -19.4484 -13.9537 -13.9537 -13.9480 -13.9480 -9.0150 -9.0150 -8.9708 -8.9708 -8.8397 -8.8397 -8.7382 -8.7382 -7.6747 -7.6747 -7.6651 -7.6651 -4.1272 -4.1272 -4.0601 -4.0601 -2.9882 -2.9882 -2.7374 -2.7374 -2.5612 -2.5612 -2.5334 -2.5334 -1.2468 -1.2468 -1.1913 -1.1913 -1.1608 -1.1608 -0.6243 -0.6243 6.1171 6.1171 6.7847 6.7847 7.3596 7.3596 7.6004 7.6004 k =-0.5000 0.4418 0.1278 ( 5848 PWs) bands (ev): -19.4625 -19.4625 -19.4478 -19.4478 -13.9539 -13.9539 -13.9477 -13.9477 -9.0169 -9.0169 -8.9690 -8.9690 -8.8451 -8.8451 -8.7349 -8.7349 -7.6736 -7.6736 -7.6632 -7.6632 -4.1300 -4.1300 -4.0573 -4.0573 -2.9963 -2.9963 -2.7223 -2.7223 -2.5614 -2.5614 -2.5315 -2.5315 -1.2733 -1.2733 -1.1962 -1.1962 -1.1644 -1.1644 -0.6000 -0.6000 6.1205 6.1205 6.8342 6.8342 7.3596 7.3596 7.5464 7.5464 k =-0.5000 0.4418 0.1136 ( 5846 PWs) bands (ev): -19.4630 -19.4630 -19.4473 -19.4473 -13.9540 -13.9540 -13.9475 -13.9475 -9.0186 -9.0186 -8.9672 -8.9672 -8.8501 -8.8501 -8.7321 -8.7321 -7.6724 -7.6724 -7.6614 -7.6614 -4.1325 -4.1325 -4.0549 -4.0549 -3.0037 -3.0037 -2.7079 -2.7079 -2.5614 -2.5614 -2.5298 -2.5298 -1.2992 -1.2992 -1.2004 -1.2004 -1.1671 -1.1671 -0.5779 -0.5779 6.1273 6.1273 6.8747 6.8747 7.3727 7.3727 7.4899 7.4899 k =-0.5000 0.4418 0.0994 ( 5858 PWs) bands (ev): -19.4635 -19.4635 -19.4468 -19.4468 -13.9542 -13.9542 -13.9472 -13.9472 -9.0202 -9.0202 -8.9657 -8.9657 -8.8547 -8.8547 -8.7296 -8.7296 -7.6713 -7.6713 -7.6597 -7.6597 -4.1347 -4.1347 -4.0527 -4.0527 -3.0102 -3.0102 -2.6946 -2.6946 -2.5613 -2.5613 -2.5283 -2.5283 -1.3235 -1.3235 -1.2042 -1.2042 -1.1693 -1.1693 -0.5580 -0.5580 6.1370 6.1370 6.9044 6.9044 7.3999 7.3999 7.4335 7.4335 k =-0.5000 0.4418 0.0852 ( 5862 PWs) bands (ev): -19.4639 -19.4639 -19.4464 -19.4464 -13.9544 -13.9544 -13.9470 -13.9470 -9.0216 -9.0216 -8.9643 -8.9643 -8.8587 -8.8587 -8.7274 -8.7274 -7.6702 -7.6702 -7.6582 -7.6582 -4.1366 -4.1366 -4.0508 -4.0508 -3.0158 -3.0158 -2.6825 -2.6825 -2.5611 -2.5611 -2.5269 -2.5269 -1.3456 -1.3456 -1.2075 -1.2075 -1.1712 -1.1712 -0.5406 -0.5406 6.1487 6.1487 6.9237 6.9237 7.3785 7.3785 7.4409 7.4409 k =-0.5000 0.4418 0.0710 ( 5864 PWs) bands (ev): -19.4643 -19.4643 -19.4460 -19.4460 -13.9545 -13.9545 -13.9468 -13.9468 -9.0227 -9.0227 -8.9631 -8.9631 -8.8622 -8.8622 -8.7257 -8.7257 -7.6692 -7.6692 -7.6568 -7.6568 -4.1382 -4.1382 -4.0492 -4.0492 -3.0206 -3.0206 -2.6717 -2.6717 -2.5609 -2.5609 -2.5257 -2.5257 -1.3649 -1.3649 -1.2104 -1.2104 -1.1729 -1.1729 -0.5257 -0.5257 6.1615 6.1615 6.9345 6.9345 7.3283 7.3283 7.4907 7.4907 k =-0.5000 0.4418 0.0568 ( 5862 PWs) bands (ev): -19.4646 -19.4646 -19.4457 -19.4457 -13.9546 -13.9546 -13.9467 -13.9467 -9.0237 -9.0237 -8.9620 -8.9620 -8.8652 -8.8652 -8.7242 -8.7242 -7.6683 -7.6683 -7.6556 -7.6556 -4.1395 -4.1395 -4.0479 -4.0479 -3.0245 -3.0245 -2.6626 -2.6626 -2.5607 -2.5607 -2.5247 -2.5247 -1.3812 -1.3812 -1.2128 -1.2128 -1.1743 -1.1743 -0.5133 -0.5133 6.1744 6.1744 6.9395 6.9395 7.2838 7.2838 7.5452 7.5452 k =-0.5000 0.4418 0.0426 ( 5866 PWs) bands (ev): -19.4648 -19.4648 -19.4455 -19.4455 -13.9546 -13.9546 -13.9466 -13.9466 -9.0245 -9.0245 -8.9613 -8.9613 -8.8675 -8.8675 -8.7231 -8.7231 -7.6676 -7.6676 -7.6547 -7.6547 -4.1405 -4.1405 -4.0469 -4.0469 -3.0275 -3.0275 -2.6553 -2.6553 -2.5605 -2.5605 -2.5239 -2.5239 -1.3942 -1.3942 -1.2147 -1.2147 -1.1754 -1.1754 -0.5036 -0.5036 6.1862 6.1862 6.9412 6.9412 7.2470 7.2470 7.5987 7.5987 k =-0.5000 0.4418 0.0284 ( 5874 PWs) bands (ev): -19.4650 -19.4650 -19.4453 -19.4453 -13.9547 -13.9547 -13.9465 -13.9465 -9.0251 -9.0251 -8.9607 -8.9607 -8.8692 -8.8692 -8.7224 -8.7224 -7.6671 -7.6671 -7.6540 -7.6540 -4.1413 -4.1413 -4.0462 -4.0462 -3.0297 -3.0297 -2.6499 -2.6499 -2.5603 -2.5603 -2.5234 -2.5234 -1.4036 -1.4036 -1.2161 -1.2161 -1.1763 -1.1763 -0.4967 -0.4967 6.1957 6.1957 6.9414 6.9414 7.2193 7.2193 7.6450 7.6450 k =-0.5000 0.4418 0.0142 ( 5872 PWs) bands (ev): -19.4651 -19.4651 -19.4452 -19.4452 -13.9547 -13.9547 -13.9464 -13.9464 -9.0254 -9.0254 -8.9604 -8.9604 -8.8702 -8.8702 -8.7219 -8.7219 -7.6668 -7.6668 -7.6536 -7.6536 -4.1417 -4.1417 -4.0458 -4.0458 -3.0310 -3.0310 -2.6467 -2.6467 -2.5602 -2.5602 -2.5230 -2.5230 -1.4093 -1.4093 -1.2170 -1.2170 -1.1768 -1.1768 -0.4925 -0.4925 6.2019 6.2019 6.9410 6.9410 7.2021 7.2021 7.6771 7.6771 k =-0.5000 0.4418 0.0000 ( 5870 PWs) bands (ev): -19.4652 -19.4652 -19.4452 -19.4452 -13.9547 -13.9547 -13.9464 -13.9464 -9.0255 -9.0255 -8.9603 -8.9603 -8.8705 -8.8705 -8.7218 -8.7218 -7.6667 -7.6667 -7.6534 -7.6534 -4.1419 -4.1419 -4.0456 -4.0456 -3.0315 -3.0315 -2.6456 -2.6456 -2.5602 -2.5602 -2.5229 -2.5229 -1.4113 -1.4113 -1.2173 -1.2173 -1.1769 -1.1769 -0.4911 -0.4911 6.2041 6.2041 6.9409 6.9409 7.1963 7.1963 7.6887 7.6887 k = 0.0000 0.0000 0.2697 ( 5834 PWs) bands (ev): -19.4962 -19.4962 -19.4962 -19.4962 -13.9647 -13.9647 -13.9647 -13.9647 -8.8420 -8.8420 -8.8420 -8.8420 -8.7699 -8.7699 -8.7699 -8.7699 -7.4960 -7.4960 -7.4960 -7.4960 -4.3005 -4.3005 -4.3005 -4.3005 -2.8122 -2.8122 -2.8122 -2.8122 -2.5073 -2.5073 -2.5073 -2.5073 -1.0618 -1.0618 -1.0618 -1.0618 -0.6384 -0.6384 -0.6384 -0.6384 5.6553 5.6553 5.6553 5.6553 7.5323 7.5323 7.5323 7.5323 k =-0.0106 0.0094 0.2697 ( 5838 PWs) bands (ev): -19.4962 -19.4962 -19.4962 -19.4962 -13.9647 -13.9647 -13.9647 -13.9647 -8.8424 -8.8424 -8.8417 -8.8417 -8.7702 -8.7702 -8.7694 -8.7694 -7.4963 -7.4963 -7.4962 -7.4962 -4.3005 -4.3005 -4.3002 -4.3002 -2.8131 -2.8131 -2.8118 -2.8118 -2.5080 -2.5080 -2.5068 -2.5068 -1.0639 -1.0639 -1.0607 -1.0607 -0.6397 -0.6397 -0.6371 -0.6371 5.6573 5.6573 5.6575 5.6575 7.5302 7.5302 7.5306 7.5306 k =-0.0213 0.0188 0.2697 ( 5836 PWs) bands (ev): -19.4960 -19.4960 -19.4960 -19.4960 -13.9648 -13.9648 -13.9648 -13.9648 -8.8430 -8.8430 -8.8416 -8.8416 -8.7703 -8.7703 -8.7688 -8.7688 -7.4970 -7.4970 -7.4969 -7.4969 -4.3003 -4.3003 -4.2998 -4.2998 -2.8143 -2.8143 -2.8117 -2.8117 -2.5088 -2.5088 -2.5065 -2.5065 -1.0671 -1.0671 -1.0606 -1.0606 -0.6409 -0.6409 -0.6357 -0.6357 5.6635 5.6635 5.6640 5.6640 7.5244 7.5244 7.5250 7.5250 k =-0.0319 0.0282 0.2697 ( 5832 PWs) bands (ev): -19.4958 -19.4958 -19.4958 -19.4958 -13.9649 -13.9649 -13.9649 -13.9649 -8.8438 -8.8438 -8.8416 -8.8416 -8.7702 -8.7702 -8.7680 -8.7680 -7.4982 -7.4982 -7.4981 -7.4981 -4.2999 -4.2999 -4.2991 -4.2991 -2.8159 -2.8159 -2.8120 -2.8120 -2.5098 -2.5098 -2.5063 -2.5063 -1.0712 -1.0712 -1.0615 -1.0615 -0.6420 -0.6420 -0.6342 -0.6342 5.6738 5.6738 5.6745 5.6745 7.5151 7.5151 7.5160 7.5160 k =-0.0426 0.0376 0.2697 ( 5836 PWs) bands (ev): -19.4954 -19.4954 -19.4954 -19.4954 -13.9651 -13.9651 -13.9651 -13.9651 -8.8446 -8.8446 -8.8419 -8.8419 -8.7700 -8.7700 -8.7671 -8.7671 -7.4998 -7.4998 -7.4997 -7.4997 -4.2992 -4.2992 -4.2982 -4.2982 -2.8179 -2.8179 -2.8128 -2.8128 -2.5109 -2.5109 -2.5062 -2.5062 -1.0762 -1.0762 -1.0635 -1.0635 -0.6430 -0.6430 -0.6328 -0.6328 5.6881 5.6881 5.6891 5.6891 7.5029 7.5029 7.5041 7.5041 k =-0.0532 0.0470 0.2697 ( 5836 PWs) bands (ev): -19.4950 -19.4950 -19.4950 -19.4950 -13.9654 -13.9654 -13.9653 -13.9653 -8.8455 -8.8455 -8.8422 -8.8422 -8.7697 -8.7697 -8.7662 -8.7662 -7.5019 -7.5019 -7.5018 -7.5018 -4.2983 -4.2983 -4.2971 -4.2971 -2.8203 -2.8203 -2.8138 -2.8138 -2.5121 -2.5121 -2.5063 -2.5063 -1.0821 -1.0821 -1.0665 -1.0665 -0.6440 -0.6440 -0.6315 -0.6315 5.7064 5.7064 5.7076 5.7076 7.4884 7.4884 7.4899 7.4899 k =-0.0638 0.0564 0.2697 ( 5832 PWs) bands (ev): -19.4945 -19.4945 -19.4945 -19.4945 -13.9656 -13.9656 -13.9656 -13.9656 -8.8465 -8.8465 -8.8426 -8.8426 -8.7693 -8.7693 -8.7652 -8.7652 -7.5045 -7.5045 -7.5043 -7.5043 -4.2972 -4.2972 -4.2957 -4.2957 -2.8229 -2.8229 -2.8153 -2.8153 -2.5135 -2.5135 -2.5066 -2.5066 -1.0887 -1.0887 -1.0703 -1.0703 -0.6449 -0.6449 -0.6303 -0.6303 5.7284 5.7284 5.7299 5.7299 7.4723 7.4723 7.4739 7.4739 k =-0.0745 0.0658 0.2697 ( 5832 PWs) bands (ev): -19.4939 -19.4939 -19.4939 -19.4939 -13.9659 -13.9659 -13.9659 -13.9659 -8.8475 -8.8475 -8.8431 -8.8431 -8.7689 -8.7689 -8.7644 -8.7644 -7.5074 -7.5074 -7.5072 -7.5072 -4.2958 -4.2958 -4.2941 -4.2941 -2.8259 -2.8259 -2.8171 -2.8171 -2.5149 -2.5149 -2.5069 -2.5069 -1.0960 -1.0960 -1.0751 -1.0751 -0.6459 -0.6459 -0.6292 -0.6292 5.7540 5.7540 5.7557 5.7557 7.4553 7.4553 7.4570 7.4570 k =-0.0851 0.0752 0.2697 ( 5836 PWs) bands (ev): -19.4932 -19.4932 -19.4932 -19.4932 -13.9663 -13.9663 -13.9663 -13.9663 -8.8484 -8.8484 -8.8436 -8.8436 -8.7686 -8.7686 -8.7636 -8.7636 -7.5108 -7.5108 -7.5106 -7.5106 -4.2941 -4.2941 -4.2921 -4.2921 -2.8292 -2.8292 -2.8193 -2.8193 -2.5163 -2.5163 -2.5074 -2.5074 -1.1039 -1.1039 -1.0806 -1.0806 -0.6468 -0.6468 -0.6283 -0.6283 5.7829 5.7829 5.7848 5.7848 7.4379 7.4379 7.4397 7.4397 k =-0.0957 0.0846 0.2697 ( 5834 PWs) bands (ev): -19.4924 -19.4924 -19.4924 -19.4924 -13.9666 -13.9666 -13.9666 -13.9666 -8.8494 -8.8494 -8.8441 -8.8441 -8.7685 -8.7685 -8.7630 -8.7630 -7.5146 -7.5146 -7.5143 -7.5143 -4.2921 -4.2921 -4.2899 -4.2899 -2.8327 -2.8327 -2.8217 -2.8217 -2.5179 -2.5179 -2.5079 -2.5079 -1.1124 -1.1124 -1.0869 -1.0869 -0.6479 -0.6479 -0.6277 -0.6277 5.8148 5.8148 5.8169 5.8169 7.4208 7.4208 7.4227 7.4227 k =-0.1064 0.0940 0.2697 ( 5842 PWs) bands (ev): -19.4916 -19.4916 -19.4915 -19.4915 -13.9670 -13.9670 -13.9670 -13.9670 -8.8502 -8.8502 -8.8446 -8.8446 -8.7685 -8.7685 -8.7627 -8.7627 -7.5187 -7.5187 -7.5183 -7.5183 -4.2898 -4.2898 -4.2874 -4.2874 -2.8365 -2.8365 -2.8245 -2.8245 -2.5194 -2.5194 -2.5085 -2.5085 -1.1212 -1.1212 -1.0937 -1.0937 -0.6491 -0.6491 -0.6274 -0.6274 5.8494 5.8494 5.8517 5.8517 7.4045 7.4045 7.4065 7.4065 k =-0.1170 0.1034 0.2697 ( 5850 PWs) bands (ev): -19.4906 -19.4906 -19.4906 -19.4906 -13.9674 -13.9674 -13.9673 -13.9673 -8.8511 -8.8511 -8.8451 -8.8451 -8.7688 -8.7688 -8.7625 -8.7625 -7.5231 -7.5231 -7.5228 -7.5228 -4.2871 -4.2871 -4.2846 -4.2846 -2.8405 -2.8405 -2.8275 -2.8275 -2.5210 -2.5210 -2.5092 -2.5092 -1.1303 -1.1303 -1.1011 -1.1011 -0.6505 -0.6505 -0.6275 -0.6275 5.8862 5.8862 5.8888 5.8888 7.3896 7.3896 7.3916 7.3916 k =-0.1277 0.1128 0.2697 ( 5840 PWs) bands (ev): -19.4896 -19.4896 -19.4896 -19.4896 -13.9677 -13.9677 -13.9677 -13.9677 -8.8519 -8.8519 -8.8455 -8.8455 -8.7692 -8.7692 -8.7627 -8.7627 -7.5279 -7.5279 -7.5275 -7.5275 -4.2841 -4.2841 -4.2814 -4.2814 -2.8446 -2.8446 -2.8307 -2.8307 -2.5225 -2.5225 -2.5098 -2.5098 -1.1397 -1.1397 -1.1089 -1.1089 -0.6521 -0.6521 -0.6279 -0.6279 5.9250 5.9250 5.9278 5.9278 7.3766 7.3766 7.3787 7.3787 k =-0.1383 0.1222 0.2697 ( 5830 PWs) bands (ev): -19.4885 -19.4885 -19.4885 -19.4885 -13.9680 -13.9680 -13.9680 -13.9680 -8.8526 -8.8526 -8.8460 -8.8460 -8.7700 -8.7700 -8.7631 -8.7631 -7.5329 -7.5329 -7.5325 -7.5325 -4.2808 -4.2808 -4.2779 -4.2779 -2.8488 -2.8488 -2.8341 -2.8341 -2.5240 -2.5240 -2.5106 -2.5106 -1.1492 -1.1492 -1.1169 -1.1169 -0.6541 -0.6541 -0.6289 -0.6289 5.9650 5.9650 5.9681 5.9681 7.3660 7.3660 7.3681 7.3681 k =-0.1489 0.1316 0.2697 ( 5826 PWs) bands (ev): -19.4874 -19.4874 -19.4874 -19.4874 -13.9683 -13.9683 -13.9683 -13.9683 -8.8533 -8.8533 -8.8464 -8.8464 -8.7711 -8.7711 -8.7640 -8.7640 -7.5382 -7.5382 -7.5377 -7.5377 -4.2770 -4.2770 -4.2741 -4.2741 -2.8531 -2.8531 -2.8376 -2.8376 -2.5254 -2.5254 -2.5113 -2.5113 -1.1587 -1.1587 -1.1252 -1.1252 -0.6564 -0.6564 -0.6303 -0.6303 6.0059 6.0059 6.0091 6.0091 7.3582 7.3582 7.3603 7.3603 k =-0.1596 0.1410 0.2697 ( 5830 PWs) bands (ev): -19.4862 -19.4862 -19.4862 -19.4862 -13.9686 -13.9686 -13.9685 -13.9685 -8.8540 -8.8540 -8.8469 -8.8469 -8.7726 -8.7726 -8.7652 -8.7652 -7.5437 -7.5437 -7.5432 -7.5432 -4.2730 -4.2730 -4.2698 -4.2698 -2.8575 -2.8575 -2.8412 -2.8412 -2.5268 -2.5268 -2.5120 -2.5120 -1.1681 -1.1681 -1.1335 -1.1335 -0.6592 -0.6592 -0.6323 -0.6323 6.0470 6.0470 6.0504 6.0504 7.3539 7.3539 7.3559 7.3559 k =-0.1702 0.1504 0.2697 ( 5840 PWs) bands (ev): -19.4850 -19.4850 -19.4850 -19.4850 -13.9688 -13.9688 -13.9687 -13.9687 -8.8548 -8.8548 -8.8474 -8.8474 -8.7744 -8.7744 -8.7667 -8.7667 -7.5494 -7.5494 -7.5489 -7.5489 -4.2685 -4.2685 -4.2653 -4.2653 -2.8618 -2.8618 -2.8450 -2.8450 -2.5282 -2.5282 -2.5127 -2.5127 -1.1773 -1.1773 -1.1418 -1.1418 -0.6624 -0.6624 -0.6349 -0.6349 6.0876 6.0876 6.0912 6.0912 7.3533 7.3533 7.3554 7.3554 k =-0.1809 0.1598 0.2697 ( 5828 PWs) bands (ev): -19.4838 -19.4838 -19.4837 -19.4837 -13.9689 -13.9689 -13.9689 -13.9689 -8.8556 -8.8556 -8.8480 -8.8480 -8.7764 -8.7764 -8.7685 -8.7685 -7.5552 -7.5552 -7.5548 -7.5548 -4.2636 -4.2636 -4.2603 -4.2603 -2.8661 -2.8661 -2.8487 -2.8487 -2.5294 -2.5294 -2.5134 -2.5134 -1.1863 -1.1863 -1.1500 -1.1500 -0.6662 -0.6662 -0.6381 -0.6381 6.1271 6.1271 6.1308 6.1308 7.3571 7.3571 7.3591 7.3591 k =-0.1915 0.1692 0.2697 ( 5822 PWs) bands (ev): -19.4824 -19.4824 -19.4824 -19.4824 -13.9690 -13.9690 -13.9689 -13.9689 -8.8566 -8.8566 -8.8488 -8.8488 -8.7787 -8.7787 -8.7706 -8.7706 -7.5612 -7.5612 -7.5607 -7.5607 -4.2584 -4.2584 -4.2550 -4.2550 -2.8703 -2.8703 -2.8524 -2.8524 -2.5306 -2.5306 -2.5141 -2.5141 -1.1949 -1.1949 -1.1579 -1.1579 -0.6705 -0.6705 -0.6420 -0.6420 6.1648 6.1648 6.1687 6.1687 7.3654 7.3654 7.3674 7.3674 k =-0.2021 0.1786 0.2697 ( 5830 PWs) bands (ev): -19.4811 -19.4811 -19.4811 -19.4811 -13.9690 -13.9690 -13.9689 -13.9689 -8.8578 -8.8578 -8.8498 -8.8498 -8.7811 -8.7811 -8.7729 -8.7729 -7.5673 -7.5673 -7.5668 -7.5668 -4.2528 -4.2528 -4.2493 -4.2493 -2.8744 -2.8744 -2.8561 -2.8561 -2.5317 -2.5317 -2.5148 -2.5148 -1.2030 -1.2030 -1.1656 -1.1656 -0.6754 -0.6754 -0.6465 -0.6465 6.2001 6.2001 6.2040 6.2040 7.3788 7.3788 7.3807 7.3807 k =-0.2128 0.1880 0.2697 ( 5838 PWs) bands (ev): -19.4798 -19.4798 -19.4798 -19.4798 -13.9689 -13.9689 -13.9689 -13.9689 -8.8593 -8.8593 -8.8512 -8.8512 -8.7836 -8.7836 -8.7754 -8.7754 -7.5735 -7.5735 -7.5730 -7.5730 -4.2468 -4.2468 -4.2433 -4.2433 -2.8783 -2.8783 -2.8597 -2.8597 -2.5327 -2.5327 -2.5154 -2.5154 -1.2107 -1.2107 -1.1728 -1.1728 -0.6810 -0.6810 -0.6518 -0.6518 6.2325 6.2325 6.2363 6.2363 7.3972 7.3972 7.3992 7.3992 k =-0.2234 0.1974 0.2697 ( 5842 PWs) bands (ev): -19.4784 -19.4784 -19.4784 -19.4784 -13.9687 -13.9687 -13.9687 -13.9687 -8.8612 -8.8612 -8.8531 -8.8531 -8.7861 -8.7861 -8.7779 -8.7779 -7.5797 -7.5797 -7.5791 -7.5791 -4.2405 -4.2405 -4.2370 -4.2370 -2.8820 -2.8820 -2.8631 -2.8631 -2.5337 -2.5337 -2.5161 -2.5161 -1.2177 -1.2177 -1.1795 -1.1795 -0.6872 -0.6872 -0.6578 -0.6578 6.2613 6.2613 6.2652 6.2652 7.4207 7.4207 7.4227 7.4227 k =-0.2340 0.2068 0.2697 ( 5846 PWs) bands (ev): -19.4771 -19.4771 -19.4770 -19.4770 -13.9685 -13.9685 -13.9684 -13.9684 -8.8635 -8.8635 -8.8556 -8.8556 -8.7885 -8.7885 -8.7803 -8.7803 -7.5859 -7.5859 -7.5853 -7.5853 -4.2339 -4.2339 -4.2304 -4.2304 -2.8854 -2.8854 -2.8663 -2.8663 -2.5346 -2.5346 -2.5167 -2.5167 -1.2241 -1.2241 -1.1857 -1.1857 -0.6940 -0.6940 -0.6645 -0.6645 6.2864 6.2864 6.2902 6.2902 7.4489 7.4489 7.4512 7.4512 k =-0.2447 0.2162 0.2697 ( 5844 PWs) bands (ev): -19.4757 -19.4757 -19.4757 -19.4757 -13.9681 -13.9681 -13.9681 -13.9681 -8.8663 -8.8663 -8.8587 -8.8587 -8.7905 -8.7905 -8.7827 -8.7827 -7.5920 -7.5920 -7.5915 -7.5915 -4.2270 -4.2270 -4.2235 -4.2235 -2.8886 -2.8886 -2.8694 -2.8694 -2.5355 -2.5355 -2.5174 -2.5174 -1.2298 -1.2298 -1.1912 -1.1912 -0.7015 -0.7015 -0.6718 -0.6718 6.3077 6.3077 6.3113 6.3113 7.4815 7.4815 7.4842 7.4842 k =-0.2553 0.2256 0.2697 ( 5836 PWs) bands (ev): -19.4743 -19.4743 -19.4743 -19.4743 -13.9677 -13.9677 -13.9676 -13.9676 -8.8698 -8.8698 -8.8625 -8.8625 -8.7922 -8.7922 -8.7847 -8.7847 -7.5981 -7.5981 -7.5976 -7.5976 -4.2198 -4.2198 -4.2164 -4.2164 -2.8914 -2.8914 -2.8722 -2.8722 -2.5363 -2.5363 -2.5181 -2.5181 -1.2347 -1.2347 -1.1961 -1.1961 -0.7096 -0.7096 -0.6799 -0.6799 6.3250 6.3250 6.3285 6.3285 7.5176 7.5176 7.5207 7.5207 k =-0.2660 0.2350 0.2697 ( 5842 PWs) bands (ev): -19.4729 -19.4729 -19.4729 -19.4729 -13.9671 -13.9671 -13.9671 -13.9671 -8.8740 -8.8740 -8.8672 -8.8672 -8.7935 -8.7935 -8.7865 -8.7865 -7.6041 -7.6041 -7.6036 -7.6036 -4.2125 -4.2125 -4.2091 -4.2091 -2.8940 -2.8940 -2.8747 -2.8747 -2.5371 -2.5371 -2.5188 -2.5188 -1.2389 -1.2389 -1.2003 -1.2003 -0.7184 -0.7184 -0.6887 -0.6887 6.3387 6.3387 6.3420 6.3420 7.5562 7.5562 7.5597 7.5597 k =-0.2766 0.2444 0.2697 ( 5842 PWs) bands (ev): -19.4716 -19.4716 -19.4716 -19.4716 -13.9665 -13.9665 -13.9665 -13.9665 -8.8788 -8.8788 -8.8726 -8.8726 -8.7944 -8.7944 -8.7880 -8.7880 -7.6101 -7.6101 -7.6095 -7.6095 -4.2049 -4.2049 -4.2016 -4.2016 -2.8961 -2.8961 -2.8770 -2.8770 -2.5379 -2.5379 -2.5196 -2.5196 -1.2421 -1.2421 -1.2037 -1.2037 -0.7277 -0.7277 -0.6980 -0.6980 6.3488 6.3488 6.3519 6.3519 7.5959 7.5959 7.6000 7.6000 k =-0.2872 0.2538 0.2697 ( 5846 PWs) bands (ev): -19.4703 -19.4703 -19.4702 -19.4702 -13.9658 -13.9658 -13.9658 -13.9658 -8.8843 -8.8843 -8.8787 -8.8787 -8.7948 -8.7948 -8.7891 -8.7891 -7.6159 -7.6159 -7.6153 -7.6153 -4.1973 -4.1973 -4.1940 -4.1940 -2.8979 -2.8979 -2.8790 -2.8790 -2.5386 -2.5386 -2.5205 -2.5205 -1.2446 -1.2446 -1.2063 -1.2063 -0.7376 -0.7376 -0.7080 -0.7080 6.3559 6.3559 6.3588 6.3588 7.6351 7.6351 7.6397 7.6397 k =-0.2979 0.2632 0.2697 ( 5850 PWs) bands (ev): -19.4690 -19.4690 -19.4689 -19.4689 -13.9651 -13.9651 -13.9650 -13.9650 -8.8904 -8.8904 -8.8853 -8.8853 -8.7949 -8.7949 -8.7898 -8.7898 -7.6215 -7.6215 -7.6210 -7.6210 -4.1896 -4.1896 -4.1864 -4.1864 -2.8994 -2.8994 -2.8806 -2.8806 -2.5395 -2.5395 -2.5214 -2.5214 -1.2461 -1.2461 -1.2081 -1.2081 -0.7480 -0.7480 -0.7186 -0.7186 6.3602 6.3602 6.3629 6.3629 7.6719 7.6719 7.6770 7.6770 k =-0.3085 0.2726 0.2697 ( 5862 PWs) bands (ev): -19.4677 -19.4677 -19.4677 -19.4677 -13.9642 -13.9642 -13.9642 -13.9642 -8.8970 -8.8970 -8.8926 -8.8926 -8.7948 -8.7948 -8.7902 -8.7902 -7.6270 -7.6270 -7.6265 -7.6265 -4.1818 -4.1818 -4.1787 -4.1787 -2.9004 -2.9004 -2.8820 -2.8820 -2.5403 -2.5403 -2.5225 -2.5225 -1.2468 -1.2468 -1.2092 -1.2092 -0.7589 -0.7589 -0.7296 -0.7296 6.3621 6.3621 6.3646 6.3646 7.7041 7.7041 7.7096 7.7096 k =-0.3191 0.2820 0.2697 ( 5866 PWs) bands (ev): -19.4665 -19.4665 -19.4665 -19.4665 -13.9633 -13.9633 -13.9633 -13.9633 -8.9040 -8.9040 -8.9001 -8.9001 -8.7943 -8.7943 -8.7903 -8.7903 -7.6322 -7.6322 -7.6317 -7.6317 -4.1741 -4.1741 -4.1711 -4.1711 -2.9011 -2.9011 -2.8830 -2.8830 -2.5412 -2.5412 -2.5237 -2.5237 -1.2466 -1.2466 -1.2094 -1.2094 -0.7702 -0.7702 -0.7411 -0.7411 6.3620 6.3620 6.3643 6.3643 7.7299 7.7299 7.7356 7.7356 k =-0.3298 0.2914 0.2697 ( 5858 PWs) bands (ev): -19.4653 -19.4653 -19.4653 -19.4653 -13.9624 -13.9624 -13.9624 -13.9624 -8.9114 -8.9114 -8.9079 -8.9079 -8.7937 -8.7937 -8.7901 -8.7901 -7.6372 -7.6372 -7.6368 -7.6368 -4.1664 -4.1664 -4.1636 -4.1636 -2.9013 -2.9013 -2.8837 -2.8837 -2.5421 -2.5421 -2.5249 -2.5249 -1.2455 -1.2455 -1.2089 -1.2089 -0.7818 -0.7818 -0.7530 -0.7530 6.3602 6.3602 6.3623 6.3623 7.7477 7.7477 7.7535 7.7535 k =-0.3404 0.3008 0.2697 ( 5858 PWs) bands (ev): -19.4641 -19.4641 -19.4641 -19.4641 -13.9614 -13.9614 -13.9614 -13.9614 -8.9189 -8.9189 -8.9159 -8.9159 -8.7929 -8.7929 -8.7898 -8.7898 -7.6420 -7.6420 -7.6416 -7.6416 -4.1589 -4.1589 -4.1562 -4.1562 -2.9013 -2.9013 -2.8842 -2.8842 -2.5431 -2.5431 -2.5264 -2.5264 -1.2436 -1.2436 -1.2076 -1.2076 -0.7936 -0.7936 -0.7652 -0.7652 6.3571 6.3571 6.3590 6.3590 7.7575 7.7575 7.7629 7.7629 k =-0.3511 0.3102 0.2697 ( 5860 PWs) bands (ev): -19.4630 -19.4630 -19.4630 -19.4630 -13.9604 -13.9604 -13.9604 -13.9604 -8.9265 -8.9265 -8.9239 -8.9239 -8.7920 -8.7920 -8.7893 -8.7893 -7.6466 -7.6466 -7.6461 -7.6461 -4.1516 -4.1516 -4.1490 -4.1490 -2.9008 -2.9008 -2.8844 -2.8844 -2.5441 -2.5441 -2.5279 -2.5279 -1.2409 -1.2409 -1.2057 -1.2057 -0.8056 -0.8056 -0.7776 -0.7776 6.3529 6.3529 6.3546 6.3546 7.7598 7.7598 7.7649 7.7649 k =-0.3617 0.3196 0.2697 ( 5870 PWs) bands (ev): -19.4620 -19.4620 -19.4620 -19.4620 -13.9594 -13.9594 -13.9594 -13.9594 -8.9342 -8.9342 -8.9319 -8.9319 -8.7911 -8.7911 -8.7888 -8.7888 -7.6508 -7.6508 -7.6504 -7.6504 -4.1445 -4.1445 -4.1421 -4.1421 -2.9001 -2.9001 -2.8843 -2.8843 -2.5451 -2.5451 -2.5296 -2.5296 -1.2374 -1.2374 -1.2031 -1.2031 -0.8176 -0.8176 -0.7902 -0.7902 6.3479 6.3479 6.3495 6.3495 7.7561 7.7561 7.7608 7.7608 k =-0.3723 0.3290 0.2697 ( 5866 PWs) bands (ev): -19.4611 -19.4611 -19.4610 -19.4610 -13.9584 -13.9584 -13.9584 -13.9584 -8.9416 -8.9416 -8.9396 -8.9396 -8.7901 -8.7901 -8.7881 -8.7881 -7.6548 -7.6548 -7.6544 -7.6544 -4.1377 -4.1377 -4.1355 -4.1355 -2.8991 -2.8991 -2.8840 -2.8840 -2.5462 -2.5462 -2.5314 -2.5314 -1.2333 -1.2333 -1.2000 -1.2000 -0.8296 -0.8296 -0.8028 -0.8028 6.3423 6.3423 6.3438 6.3438 7.7481 7.7481 7.7523 7.7523 k =-0.3830 0.3384 0.2697 ( 5862 PWs) bands (ev): -19.4601 -19.4601 -19.4601 -19.4601 -13.9574 -13.9574 -13.9574 -13.9574 -8.9489 -8.9489 -8.9472 -8.9472 -8.7892 -8.7892 -8.7874 -8.7874 -7.6585 -7.6585 -7.6582 -7.6582 -4.1313 -4.1313 -4.1292 -4.1292 -2.8978 -2.8978 -2.8836 -2.8836 -2.5473 -2.5473 -2.5332 -2.5332 -1.2285 -1.2285 -1.1964 -1.1964 -0.8414 -0.8414 -0.8153 -0.8153 6.3364 6.3364 6.3377 6.3377 7.7371 7.7371 7.7409 7.7409 k =-0.3936 0.3478 0.2697 ( 5858 PWs) bands (ev): -19.4593 -19.4593 -19.4593 -19.4593 -13.9565 -13.9565 -13.9564 -13.9564 -8.9558 -8.9558 -8.9543 -8.9543 -8.7882 -8.7882 -8.7868 -8.7868 -7.6619 -7.6619 -7.6616 -7.6616 -4.1252 -4.1252 -4.1233 -4.1233 -2.8963 -2.8963 -2.8830 -2.8830 -2.5484 -2.5484 -2.5352 -2.5352 -1.2233 -1.2233 -1.1925 -1.1925 -0.8529 -0.8529 -0.8277 -0.8277 6.3304 6.3304 6.3315 6.3315 7.7243 7.7243 7.7277 7.7277 k =-0.4043 0.3572 0.2697 ( 5856 PWs) bands (ev): -19.4585 -19.4585 -19.4585 -19.4585 -13.9555 -13.9555 -13.9555 -13.9555 -8.9623 -8.9623 -8.9611 -8.9611 -8.7873 -8.7873 -8.7861 -8.7861 -7.6650 -7.6650 -7.6647 -7.6647 -4.1196 -4.1196 -4.1179 -4.1179 -2.8947 -2.8947 -2.8824 -2.8824 -2.5494 -2.5494 -2.5372 -2.5372 -1.2176 -1.2176 -1.1884 -1.1884 -0.8639 -0.8639 -0.8398 -0.8398 6.3243 6.3243 6.3254 6.3254 7.7106 7.7106 7.7136 7.7136 k =-0.4149 0.3666 0.2697 ( 5862 PWs) bands (ev): -19.4578 -19.4578 -19.4578 -19.4578 -13.9547 -13.9547 -13.9547 -13.9547 -8.9684 -8.9684 -8.9674 -8.9674 -8.7865 -8.7865 -8.7854 -8.7854 -7.6678 -7.6678 -7.6675 -7.6675 -4.1144 -4.1144 -4.1129 -4.1129 -2.8930 -2.8930 -2.8818 -2.8818 -2.5504 -2.5504 -2.5392 -2.5392 -1.2115 -1.2115 -1.1842 -1.1842 -0.8743 -0.8743 -0.8516 -0.8516 6.3185 6.3185 6.3194 6.3194 7.6968 7.6968 7.6994 7.6994 k =-0.4255 0.3760 0.2697 ( 5874 PWs) bands (ev): -19.4572 -19.4572 -19.4572 -19.4572 -13.9539 -13.9539 -13.9539 -13.9539 -8.9740 -8.9740 -8.9731 -8.9731 -8.7857 -8.7857 -8.7848 -8.7848 -7.6703 -7.6703 -7.6701 -7.6701 -4.1098 -4.1098 -4.1084 -4.1084 -2.8912 -2.8912 -2.8811 -2.8811 -2.5513 -2.5513 -2.5413 -2.5413 -1.2053 -1.2053 -1.1802 -1.1802 -0.8839 -0.8839 -0.8628 -0.8628 6.3130 6.3130 6.3138 6.3138 7.6835 7.6835 7.6857 7.6857 k =-0.4362 0.3854 0.2697 ( 5882 PWs) bands (ev): -19.4567 -19.4567 -19.4567 -19.4567 -13.9532 -13.9532 -13.9532 -13.9532 -8.9789 -8.9789 -8.9782 -8.9782 -8.7851 -8.7851 -8.7843 -8.7843 -7.6725 -7.6725 -7.6722 -7.6722 -4.1057 -4.1057 -4.1045 -4.1045 -2.8893 -2.8893 -2.8806 -2.8806 -2.5520 -2.5520 -2.5433 -2.5433 -1.1991 -1.1991 -1.1764 -1.1764 -0.8925 -0.8925 -0.8734 -0.8734 6.3079 6.3079 6.3086 6.3086 7.6711 7.6711 7.6730 7.6730 k =-0.4468 0.3948 0.2697 ( 5882 PWs) bands (ev): -19.4562 -19.4562 -19.4562 -19.4562 -13.9526 -13.9526 -13.9526 -13.9526 -8.9832 -8.9832 -8.9826 -8.9826 -8.7845 -8.7845 -8.7839 -8.7839 -7.6743 -7.6743 -7.6741 -7.6741 -4.1021 -4.1021 -4.1012 -4.1012 -2.8876 -2.8876 -2.8801 -2.8801 -2.5526 -2.5526 -2.5451 -2.5451 -1.1929 -1.1929 -1.1731 -1.1731 -0.8999 -0.8999 -0.8831 -0.8831 6.3035 6.3035 6.3040 6.3040 7.6601 7.6601 7.6616 7.6616 k =-0.4574 0.4042 0.2697 ( 5878 PWs) bands (ev): -19.4558 -19.4558 -19.4558 -19.4558 -13.9520 -13.9520 -13.9520 -13.9520 -8.9867 -8.9867 -8.9863 -8.9863 -8.7839 -8.7839 -8.7835 -8.7835 -7.6758 -7.6758 -7.6756 -7.6756 -4.0992 -4.0992 -4.0984 -4.0984 -2.8859 -2.8859 -2.8798 -2.8798 -2.5530 -2.5530 -2.5469 -2.5469 -1.1871 -1.1871 -1.1706 -1.1706 -0.9059 -0.9059 -0.8918 -0.8918 6.2997 6.2997 6.3001 6.3001 7.6507 7.6507 7.6519 7.6519 k =-0.4681 0.4136 0.2697 ( 5880 PWs) bands (ev): -19.4556 -19.4556 -19.4555 -19.4555 -13.9516 -13.9516 -13.9516 -13.9516 -8.9895 -8.9895 -8.9892 -8.9892 -8.7835 -8.7835 -8.7832 -8.7832 -7.6769 -7.6769 -7.6768 -7.6768 -4.0969 -4.0969 -4.0963 -4.0963 -2.8843 -2.8843 -2.8797 -2.8797 -2.5531 -2.5531 -2.5485 -2.5485 -1.1818 -1.1818 -1.1689 -1.1689 -0.9103 -0.9103 -0.8993 -0.8993 6.2967 6.2967 6.2970 6.2970 7.6432 7.6432 7.6441 7.6441 k =-0.4787 0.4230 0.2697 ( 5884 PWs) bands (ev): -19.4553 -19.4553 -19.4553 -19.4553 -13.9513 -13.9513 -13.9513 -13.9513 -8.9915 -8.9915 -8.9913 -8.9913 -8.7832 -8.7832 -8.7830 -8.7830 -7.6777 -7.6777 -7.6777 -7.6777 -4.0952 -4.0952 -4.0948 -4.0948 -2.8830 -2.8830 -2.8799 -2.8799 -2.5530 -2.5530 -2.5499 -2.5499 -1.1771 -1.1771 -1.1683 -1.1683 -0.9130 -0.9130 -0.9054 -0.9054 6.2945 6.2945 6.2947 6.2947 7.6378 7.6378 7.6384 7.6384 k =-0.4894 0.4324 0.2697 ( 5878 PWs) bands (ev): -19.4552 -19.4552 -19.4552 -19.4552 -13.9511 -13.9511 -13.9511 -13.9511 -8.9927 -8.9927 -8.9926 -8.9926 -8.7830 -8.7830 -8.7829 -8.7829 -7.6782 -7.6782 -7.6782 -7.6782 -4.0941 -4.0941 -4.0939 -4.0939 -2.8818 -2.8818 -2.8803 -2.8803 -2.5526 -2.5526 -2.5510 -2.5510 -1.1733 -1.1733 -1.1688 -1.1688 -0.9138 -0.9138 -0.9100 -0.9100 6.2932 6.2932 6.2933 6.2933 7.6346 7.6346 7.6349 7.6349 k =-0.5000 0.4418 0.2697 ( 5876 PWs) bands (ev): -19.4552 -19.4552 -19.4552 -19.4552 -13.9511 -13.9511 -13.9511 -13.9511 -8.9931 -8.9931 -8.9931 -8.9931 -8.7829 -8.7829 -8.7829 -8.7829 -7.6784 -7.6784 -7.6784 -7.6784 -4.0937 -4.0937 -4.0937 -4.0937 -2.8809 -2.8809 -2.8809 -2.8809 -2.5519 -2.5519 -2.5519 -2.5519 -1.1705 -1.1705 -1.1705 -1.1705 -0.9128 -0.9128 -0.9128 -0.9128 6.2928 6.2928 6.2928 6.2928 7.6336 7.6336 7.6336 7.6336 Writing output data file BH5NCl.save init_run : 1.08s CPU 0.77s WALL ( 1 calls) electrons : 313.66s CPU 211.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 0.21s WALL ( 1 calls) Called by electrons: c_bands : 313.65s CPU 211.58s 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 : 0.21s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.49s CPU 0.67s WALL ( 354 calls) cegterg : 270.42s CPU 185.75s WALL ( 485 calls) Called by sum_band: Called by *egterg: h_psi : 188.08s CPU 114.57s WALL ( 8147 calls) s_psi : 10.37s CPU 6.63s WALL ( 8147 calls) g_psi : 0.49s CPU 0.32s WALL ( 7308 calls) cdiaghg : 72.62s CPU 58.78s WALL ( 7662 calls) cegterg:over : 13.29s CPU 9.25s WALL ( 7308 calls) cegterg:upda : 10.75s CPU 8.10s WALL ( 7308 calls) cegterg:last : 4.93s CPU 3.73s WALL ( 1193 calls) cdiaghg:chol : 4.16s CPU 3.36s WALL ( 7662 calls) cdiaghg:inve : 2.42s CPU 2.08s WALL ( 7662 calls) cdiaghg:para : 3.81s CPU 3.29s WALL ( 15324 calls) Called by h_psi: h_psi:vloc : 162.50s CPU 98.19s WALL ( 8147 calls) h_psi:vnl : 25.06s CPU 16.07s WALL ( 8147 calls) add_vuspsi : 13.27s CPU 8.29s WALL ( 8147 calls) General routines calbec : 11.74s CPU 7.75s WALL ( 8147 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 153.14s CPU 92.00s WALL ( 769404 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.42s CPU 1.20s WALL ( 708 calls) Parallel routines fft_scatter : 61.44s CPU 40.07s WALL ( 769427 calls) PWSCF : 5m34.16s CPU 4m 6.59s WALL This run was terminated on: 15: 0:56 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=