Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 20:57:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SiH3F.save/ file F.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 k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 28 8 2511 1241 188 Max 46 29 9 2519 1273 193 Sum 3293 2061 587 181053 90667 13691 bravais-lattice index = 14 lattice parameter (alat) = 14.6781 a.u. unit-cell volume = 1899.5773 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.678069 celldm(2)= 0.604200 celldm(3)= 1.108864 celldm(4)= 0.442871 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.604200 0.000000 ) a(3) = ( 0.000000 0.491084 0.994191 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.655082 -0.817534 ) b(3) = ( 0.000000 0.000000 1.005843 ) 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 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) Si 4.00 28.08550 Si( 1.00) F 7.00 18.99840 F( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.2455421 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4970954 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2455421 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4970954 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 224 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 2) = ( 0.0000000 0.0000000 0.0239486), wk = 0.0044643 k( 3) = ( 0.0000000 0.0000000 0.0478973), wk = 0.0044643 k( 4) = ( 0.0000000 0.0000000 0.0718459), wk = 0.0044643 k( 5) = ( 0.0000000 0.0000000 0.0957946), wk = 0.0044643 k( 6) = ( 0.0000000 0.0000000 0.1197432), wk = 0.0044643 k( 7) = ( 0.0000000 0.0000000 0.1436919), wk = 0.0044643 k( 8) = ( 0.0000000 0.0000000 0.1676405), wk = 0.0044643 k( 9) = ( 0.0000000 0.0000000 0.1915892), wk = 0.0044643 k( 10) = ( 0.0000000 0.0000000 0.2155378), wk = 0.0044643 k( 11) = ( 0.0000000 0.0000000 0.2394865), wk = 0.0044643 k( 12) = ( 0.0000000 0.0000000 0.2634351), wk = 0.0044643 k( 13) = ( 0.0000000 0.0000000 0.2873837), wk = 0.0044643 k( 14) = ( 0.0000000 0.0000000 0.3113324), wk = 0.0044643 k( 15) = ( 0.0000000 0.0000000 0.3352810), wk = 0.0044643 k( 16) = ( 0.0000000 0.0000000 0.3592297), wk = 0.0044643 k( 17) = ( 0.0000000 0.0000000 0.3831783), wk = 0.0044643 k( 18) = ( 0.0000000 0.0000000 0.4071270), wk = 0.0044643 k( 19) = ( 0.0000000 0.0000000 0.4310756), wk = 0.0044643 k( 20) = ( 0.0000000 0.0000000 0.4550243), wk = 0.0044643 k( 21) = ( 0.0000000 0.0000000 0.4789729), wk = 0.0044643 k( 22) = ( 0.0000000 0.0000000 0.5029215), wk = 0.0044643 k( 23) = ( 0.0000000 0.0000000 0.5029215), wk = 0.0044643 k( 24) = ( 0.0000000 0.0244073 0.5029216), wk = 0.0044643 k( 25) = ( 0.0000000 0.0488146 0.5029215), wk = 0.0044643 k( 26) = ( 0.0000000 0.0732218 0.5029215), wk = 0.0044643 k( 27) = ( 0.0000000 0.0976291 0.5029215), wk = 0.0044643 k( 28) = ( 0.0000000 0.1220364 0.5029216), wk = 0.0044643 k( 29) = ( 0.0000000 0.1464437 0.5029215), wk = 0.0044643 k( 30) = ( 0.0000000 0.1708510 0.5029215), wk = 0.0044643 k( 31) = ( 0.0000000 0.1952582 0.5029216), wk = 0.0044643 k( 32) = ( 0.0000000 0.2196655 0.5029216), wk = 0.0044643 k( 33) = ( 0.0000000 0.2440728 0.5029215), wk = 0.0044643 k( 34) = ( 0.0000000 0.2684801 0.5029215), wk = 0.0044643 k( 35) = ( 0.0000000 0.2928874 0.5029216), wk = 0.0044643 k( 36) = ( 0.0000000 0.3172946 0.5029216), wk = 0.0044643 k( 37) = ( 0.0000000 0.3417019 0.5029215), wk = 0.0044643 k( 38) = ( 0.0000000 0.3661092 0.5029216), wk = 0.0044643 k( 39) = ( 0.0000000 0.3905165 0.5029216), wk = 0.0044643 k( 40) = ( 0.0000000 0.4149238 0.5029216), wk = 0.0044643 k( 41) = ( 0.0000000 0.4393310 0.5029215), wk = 0.0044643 k( 42) = ( 0.0000000 0.4637383 0.5029216), wk = 0.0044643 k( 43) = ( 0.0000000 0.4881456 0.5029215), wk = 0.0044643 k( 44) = ( 0.0000000 0.5125529 0.5029215), wk = 0.0044643 k( 45) = ( 0.0000000 0.5369602 0.5029215), wk = 0.0044643 k( 46) = ( 0.0000000 0.5613674 0.5029215), wk = 0.0044643 k( 47) = ( 0.0000000 0.5857747 0.5029215), wk = 0.0044643 k( 48) = ( 0.0000000 0.6101820 0.5029215), wk = 0.0044643 k( 49) = ( 0.0000000 0.6345893 0.5029215), wk = 0.0044643 k( 50) = ( 0.0000000 0.6589966 0.5029215), wk = 0.0044643 k( 51) = ( 0.0000000 0.6834038 0.5029215), wk = 0.0044643 k( 52) = ( 0.0000000 0.7078111 0.5029215), wk = 0.0044643 k( 53) = ( 0.0000000 0.7322184 0.5029215), wk = 0.0044643 k( 54) = ( 0.0000000 0.7566257 0.5029215), wk = 0.0044643 k( 55) = ( 0.0000000 0.7810330 0.5029215), wk = 0.0044643 k( 56) = ( 0.0000000 0.7810330 0.5029215), wk = 0.0044643 k( 57) = ( 0.0000000 0.7837687 0.4788764), wk = 0.0044643 k( 58) = ( 0.0000000 0.7865045 0.4548313), wk = 0.0044643 k( 59) = ( 0.0000000 0.7892403 0.4307862), wk = 0.0044643 k( 60) = ( 0.0000000 0.7919760 0.4067411), wk = 0.0044643 k( 61) = ( 0.0000000 0.7947118 0.3826960), wk = 0.0044643 k( 62) = ( 0.0000000 0.7974476 0.3586509), wk = 0.0044643 k( 63) = ( 0.0000000 0.8001833 0.3346058), wk = 0.0044643 k( 64) = ( 0.0000000 0.8029191 0.3105607), wk = 0.0044643 k( 65) = ( 0.0000000 0.8056549 0.2865156), wk = 0.0044643 k( 66) = ( 0.0000000 0.8083906 0.2624705), wk = 0.0044643 k( 67) = ( 0.0000000 0.8111264 0.2384254), wk = 0.0044643 k( 68) = ( 0.0000000 0.8138622 0.2143803), wk = 0.0044643 k( 69) = ( 0.0000000 0.8165979 0.1903351), wk = 0.0044643 k( 70) = ( 0.0000000 0.8193337 0.1662900), wk = 0.0044643 k( 71) = ( 0.0000000 0.8220695 0.1422449), wk = 0.0044643 k( 72) = ( 0.0000000 0.8248053 0.1181998), wk = 0.0044643 k( 73) = ( 0.0000000 0.8275410 0.0941547), wk = 0.0044643 k( 74) = ( 0.0000000 0.8275410 0.0941547), wk = 0.0044643 k( 75) = ( 0.0238095 0.8275410 0.0941547), wk = 0.0044643 k( 76) = ( 0.0476191 0.8275410 0.0941547), wk = 0.0044643 k( 77) = ( 0.0714286 0.8275410 0.0941547), wk = 0.0044643 k( 78) = ( 0.0952381 0.8275410 0.0941547), wk = 0.0044643 k( 79) = ( 0.1190476 0.8275410 0.0941547), wk = 0.0044643 k( 80) = ( 0.1428571 0.8275410 0.0941547), wk = 0.0044643 k( 81) = ( 0.1666667 0.8275410 0.0941547), wk = 0.0044643 k( 82) = ( 0.1904762 0.8275410 0.0941547), wk = 0.0044643 k( 83) = ( 0.2142857 0.8275410 0.0941547), wk = 0.0044643 k( 84) = ( 0.2380952 0.8275410 0.0941547), wk = 0.0044643 k( 85) = ( 0.2619048 0.8275410 0.0941547), wk = 0.0044643 k( 86) = ( 0.2857143 0.8275410 0.0941547), wk = 0.0044643 k( 87) = ( 0.3095238 0.8275410 0.0941547), wk = 0.0044643 k( 88) = ( 0.3333333 0.8275410 0.0941547), wk = 0.0044643 k( 89) = ( 0.3571429 0.8275410 0.0941547), wk = 0.0044643 k( 90) = ( 0.3809524 0.8275410 0.0941547), wk = 0.0044643 k( 91) = ( 0.4047619 0.8275410 0.0941547), wk = 0.0044643 k( 92) = ( 0.4285714 0.8275410 0.0941547), wk = 0.0044643 k( 93) = ( 0.4523810 0.8275410 0.0941547), wk = 0.0044643 k( 94) = ( 0.4761905 0.8275410 0.0941547), wk = 0.0044643 k( 95) = ( 0.5000000 0.8275410 0.0941547), wk = 0.0044643 k( 96) = ( 0.5000000 0.8275410 0.0941547), wk = 0.0044643 k( 97) = ( 0.5000000 0.8302768 0.0701096), wk = 0.0044643 k( 98) = ( 0.5000000 0.8330126 0.0460645), wk = 0.0044643 k( 99) = ( 0.5000000 0.8357483 0.0220194), wk = 0.0044643 k( 100) = ( 0.5000000 0.8384841 -0.0020257), wk = 0.0044643 k( 101) = ( 0.5000000 0.8412199 -0.0260708), wk = 0.0044643 k( 102) = ( 0.5000000 0.8439556 -0.0501159), wk = 0.0044643 k( 103) = ( 0.5000000 0.8466914 -0.0741610), wk = 0.0044643 k( 104) = ( 0.5000000 0.8494272 -0.0982061), wk = 0.0044643 k( 105) = ( 0.5000000 0.8521629 -0.1222513), wk = 0.0044643 k( 106) = ( 0.5000000 0.8548987 -0.1462964), wk = 0.0044643 k( 107) = ( 0.5000000 0.8576345 -0.1703415), wk = 0.0044643 k( 108) = ( 0.5000000 0.8603702 -0.1943866), wk = 0.0044643 k( 109) = ( 0.5000000 0.8631060 -0.2184317), wk = 0.0044643 k( 110) = ( 0.5000000 0.8658418 -0.2424768), wk = 0.0044643 k( 111) = ( 0.5000000 0.8685775 -0.2665219), wk = 0.0044643 k( 112) = ( 0.5000000 0.8713133 -0.2905670), wk = 0.0044643 k( 113) = ( 0.5000000 0.8740491 -0.3146121), wk = 0.0044643 k( 114) = ( 0.5000000 0.8740491 -0.3146121), wk = 0.0044643 k( 115) = ( 0.5000000 0.8647475 -0.3334431), wk = 0.0044643 k( 116) = ( 0.5000000 0.8554459 -0.3522740), wk = 0.0044643 k( 117) = ( 0.5000000 0.8461442 -0.3711049), wk = 0.0044643 k( 118) = ( 0.5000000 0.8368426 -0.3899359), wk = 0.0044643 k( 119) = ( 0.5000000 0.8275410 -0.4087668), wk = 0.0044643 k( 120) = ( 0.5000000 0.8275410 -0.4087668), wk = 0.0044643 k( 121) = ( 0.4761905 0.8275410 -0.4087668), wk = 0.0044643 k( 122) = ( 0.4523810 0.8275410 -0.4087668), wk = 0.0044643 k( 123) = ( 0.4285714 0.8275410 -0.4087668), wk = 0.0044643 k( 124) = ( 0.4047619 0.8275410 -0.4087668), wk = 0.0044643 k( 125) = ( 0.3809524 0.8275410 -0.4087668), wk = 0.0044643 k( 126) = ( 0.3571429 0.8275410 -0.4087668), wk = 0.0044643 k( 127) = ( 0.3333333 0.8275410 -0.4087668), wk = 0.0044643 k( 128) = ( 0.3095238 0.8275410 -0.4087668), wk = 0.0044643 k( 129) = ( 0.2857143 0.8275410 -0.4087668), wk = 0.0044643 k( 130) = ( 0.2619048 0.8275410 -0.4087668), wk = 0.0044643 k( 131) = ( 0.2380952 0.8275410 -0.4087668), wk = 0.0044643 k( 132) = ( 0.2142857 0.8275410 -0.4087668), wk = 0.0044643 k( 133) = ( 0.1904762 0.8275410 -0.4087668), wk = 0.0044643 k( 134) = ( 0.1666667 0.8275410 -0.4087668), wk = 0.0044643 k( 135) = ( 0.1428571 0.8275410 -0.4087668), wk = 0.0044643 k( 136) = ( 0.1190476 0.8275410 -0.4087668), wk = 0.0044643 k( 137) = ( 0.0952381 0.8275410 -0.4087668), wk = 0.0044643 k( 138) = ( 0.0714286 0.8275410 -0.4087668), wk = 0.0044643 k( 139) = ( 0.0476191 0.8275410 -0.4087668), wk = 0.0044643 k( 140) = ( 0.0238095 0.8275410 -0.4087668), wk = 0.0044643 k( 141) = ( 0.0000000 0.8275410 -0.4087668), wk = 0.0044643 k( 142) = ( 0.0000000 0.8275410 -0.4087668), wk = 0.0044643 k( 143) = ( 0.0000000 0.8368426 -0.3899359), wk = 0.0044643 k( 144) = ( 0.0000000 0.8461442 -0.3711049), wk = 0.0044643 k( 145) = ( 0.0000000 0.8554459 -0.3522740), wk = 0.0044643 k( 146) = ( 0.0000000 0.8647475 -0.3334431), wk = 0.0044643 k( 147) = ( 0.0000000 0.8740491 -0.3146121), wk = 0.0044643 k( 148) = ( 0.5000000 0.7810330 0.5029215), wk = 0.0044643 k( 149) = ( 0.5000000 0.7566257 0.5029215), wk = 0.0044643 k( 150) = ( 0.5000000 0.7322184 0.5029215), wk = 0.0044643 k( 151) = ( 0.5000000 0.7078111 0.5029215), wk = 0.0044643 k( 152) = ( 0.5000000 0.6834038 0.5029215), wk = 0.0044643 k( 153) = ( 0.5000000 0.6589966 0.5029215), wk = 0.0044643 k( 154) = ( 0.5000000 0.6345893 0.5029215), wk = 0.0044643 k( 155) = ( 0.5000000 0.6101820 0.5029215), wk = 0.0044643 k( 156) = ( 0.5000000 0.5857747 0.5029215), wk = 0.0044643 k( 157) = ( 0.5000000 0.5613674 0.5029215), wk = 0.0044643 k( 158) = ( 0.5000000 0.5369602 0.5029215), wk = 0.0044643 k( 159) = ( 0.5000000 0.5125529 0.5029215), wk = 0.0044643 k( 160) = ( 0.5000000 0.4881456 0.5029215), wk = 0.0044643 k( 161) = ( 0.5000000 0.4637383 0.5029216), wk = 0.0044643 k( 162) = ( 0.5000000 0.4393310 0.5029215), wk = 0.0044643 k( 163) = ( 0.5000000 0.4149238 0.5029216), wk = 0.0044643 k( 164) = ( 0.5000000 0.3905165 0.5029216), wk = 0.0044643 k( 165) = ( 0.5000000 0.3661092 0.5029216), wk = 0.0044643 k( 166) = ( 0.5000000 0.3417019 0.5029215), wk = 0.0044643 k( 167) = ( 0.5000000 0.3172946 0.5029216), wk = 0.0044643 k( 168) = ( 0.5000000 0.2928874 0.5029216), wk = 0.0044643 k( 169) = ( 0.5000000 0.2684801 0.5029215), wk = 0.0044643 k( 170) = ( 0.5000000 0.2440728 0.5029215), wk = 0.0044643 k( 171) = ( 0.5000000 0.2196655 0.5029216), wk = 0.0044643 k( 172) = ( 0.5000000 0.1952582 0.5029216), wk = 0.0044643 k( 173) = ( 0.5000000 0.1708510 0.5029215), wk = 0.0044643 k( 174) = ( 0.5000000 0.1464437 0.5029215), wk = 0.0044643 k( 175) = ( 0.5000000 0.1220364 0.5029216), wk = 0.0044643 k( 176) = ( 0.5000000 0.0976291 0.5029215), wk = 0.0044643 k( 177) = ( 0.5000000 0.0732218 0.5029215), wk = 0.0044643 k( 178) = ( 0.5000000 0.0488146 0.5029215), wk = 0.0044643 k( 179) = ( 0.5000000 0.0244073 0.5029216), wk = 0.0044643 k( 180) = ( 0.5000000 -0.0000000 0.5029215), wk = 0.0044643 k( 181) = ( 0.5000000 -0.0000000 0.5029215), wk = 0.0044643 k( 182) = ( 0.5000000 -0.0000000 0.4789729), wk = 0.0044643 k( 183) = ( 0.5000000 -0.0000000 0.4550243), wk = 0.0044643 k( 184) = ( 0.5000000 -0.0000000 0.4310756), wk = 0.0044643 k( 185) = ( 0.5000000 -0.0000000 0.4071270), wk = 0.0044643 k( 186) = ( 0.5000000 -0.0000000 0.3831783), wk = 0.0044643 k( 187) = ( 0.5000000 -0.0000000 0.3592297), wk = 0.0044643 k( 188) = ( 0.5000000 -0.0000000 0.3352810), wk = 0.0044643 k( 189) = ( 0.5000000 -0.0000000 0.3113324), wk = 0.0044643 k( 190) = ( 0.5000000 -0.0000000 0.2873837), wk = 0.0044643 k( 191) = ( 0.5000000 -0.0000000 0.2634351), wk = 0.0044643 k( 192) = ( 0.5000000 -0.0000000 0.2394865), wk = 0.0044643 k( 193) = ( 0.5000000 -0.0000000 0.2155378), wk = 0.0044643 k( 194) = ( 0.5000000 -0.0000000 0.1915892), wk = 0.0044643 k( 195) = ( 0.5000000 -0.0000000 0.1676405), wk = 0.0044643 k( 196) = ( 0.5000000 -0.0000000 0.1436919), wk = 0.0044643 k( 197) = ( 0.5000000 -0.0000000 0.1197432), wk = 0.0044643 k( 198) = ( 0.5000000 -0.0000000 0.0957946), wk = 0.0044643 k( 199) = ( 0.5000000 -0.0000000 0.0718459), wk = 0.0044643 k( 200) = ( 0.5000000 -0.0000000 0.0478973), wk = 0.0044643 k( 201) = ( 0.5000000 -0.0000000 0.0239486), wk = 0.0044643 k( 202) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0044643 k( 203) = ( 0.0000000 0.0000000 0.5029215), wk = 0.0044643 k( 204) = ( 0.0238095 -0.0000000 0.5029215), wk = 0.0044643 k( 205) = ( 0.0476191 -0.0000000 0.5029215), wk = 0.0044643 k( 206) = ( 0.0714286 -0.0000000 0.5029215), wk = 0.0044643 k( 207) = ( 0.0952381 -0.0000000 0.5029215), wk = 0.0044643 k( 208) = ( 0.1190476 -0.0000000 0.5029215), wk = 0.0044643 k( 209) = ( 0.1428571 -0.0000000 0.5029215), wk = 0.0044643 k( 210) = ( 0.1666667 -0.0000000 0.5029215), wk = 0.0044643 k( 211) = ( 0.1904762 -0.0000000 0.5029215), wk = 0.0044643 k( 212) = ( 0.2142857 -0.0000000 0.5029215), wk = 0.0044643 k( 213) = ( 0.2380952 -0.0000000 0.5029215), wk = 0.0044643 k( 214) = ( 0.2619048 -0.0000000 0.5029215), wk = 0.0044643 k( 215) = ( 0.2857143 -0.0000000 0.5029215), wk = 0.0044643 k( 216) = ( 0.3095238 -0.0000000 0.5029215), wk = 0.0044643 k( 217) = ( 0.3333333 -0.0000000 0.5029215), wk = 0.0044643 k( 218) = ( 0.3571429 -0.0000000 0.5029215), wk = 0.0044643 k( 219) = ( 0.3809524 -0.0000000 0.5029215), wk = 0.0044643 k( 220) = ( 0.4047619 -0.0000000 0.5029215), wk = 0.0044643 k( 221) = ( 0.4285714 -0.0000000 0.5029215), wk = 0.0044643 k( 222) = ( 0.4523810 -0.0000000 0.5029215), wk = 0.0044643 k( 223) = ( 0.4761905 -0.0000000 0.5029215), wk = 0.0044643 k( 224) = ( 0.5000000 -0.0000000 0.5029215), wk = 0.0044643 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 2) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0044643 k( 3) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0044643 k( 4) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0044643 k( 5) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0044643 k( 6) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0044643 k( 7) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0044643 k( 8) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0044643 k( 9) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0044643 k( 10) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0044643 k( 11) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0044643 k( 12) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0044643 k( 13) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0044643 k( 14) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0044643 k( 15) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0044643 k( 16) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0044643 k( 17) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0044643 k( 18) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0044643 k( 19) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0044643 k( 20) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0044643 k( 21) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0044643 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 24) = ( 0.0000000 0.0147469 0.5119860), wk = 0.0044643 k( 25) = ( 0.0000000 0.0294937 0.5239721), wk = 0.0044643 k( 26) = ( 0.0000000 0.0442406 0.5359581), wk = 0.0044643 k( 27) = ( 0.0000000 0.0589875 0.5479441), wk = 0.0044643 k( 28) = ( 0.0000000 0.0737344 0.5599301), wk = 0.0044643 k( 29) = ( 0.0000000 0.0884812 0.5719162), wk = 0.0044643 k( 30) = ( 0.0000000 0.1032281 0.5839022), wk = 0.0044643 k( 31) = ( 0.0000000 0.1179750 0.5958882), wk = 0.0044643 k( 32) = ( 0.0000000 0.1327218 0.6078742), wk = 0.0044643 k( 33) = ( 0.0000000 0.1474687 0.6198603), wk = 0.0044643 k( 34) = ( 0.0000000 0.1622156 0.6318463), wk = 0.0044643 k( 35) = ( 0.0000000 0.1769624 0.6438323), wk = 0.0044643 k( 36) = ( 0.0000000 0.1917093 0.6558184), wk = 0.0044643 k( 37) = ( 0.0000000 0.2064562 0.6678044), wk = 0.0044643 k( 38) = ( 0.0000000 0.2212031 0.6797904), wk = 0.0044643 k( 39) = ( 0.0000000 0.2359499 0.6917764), wk = 0.0044643 k( 40) = ( 0.0000000 0.2506968 0.7037625), wk = 0.0044643 k( 41) = ( 0.0000000 0.2654437 0.7157485), wk = 0.0044643 k( 42) = ( 0.0000000 0.2801905 0.7277345), wk = 0.0044643 k( 43) = ( 0.0000000 0.2949374 0.7397206), wk = 0.0044643 k( 44) = ( 0.0000000 0.3096843 0.7517066), wk = 0.0044643 k( 45) = ( 0.0000000 0.3244312 0.7636926), wk = 0.0044643 k( 46) = ( 0.0000000 0.3391780 0.7756786), wk = 0.0044643 k( 47) = ( 0.0000000 0.3539249 0.7876647), wk = 0.0044643 k( 48) = ( 0.0000000 0.3686718 0.7996507), wk = 0.0044643 k( 49) = ( 0.0000000 0.3834186 0.8116367), wk = 0.0044643 k( 50) = ( 0.0000000 0.3981655 0.8236227), wk = 0.0044643 k( 51) = ( 0.0000000 0.4129124 0.8356088), wk = 0.0044643 k( 52) = ( 0.0000000 0.4276592 0.8475948), wk = 0.0044643 k( 53) = ( 0.0000000 0.4424061 0.8595808), wk = 0.0044643 k( 54) = ( 0.0000000 0.4571530 0.8715669), wk = 0.0044643 k( 55) = ( 0.0000000 0.4718999 0.8835529), wk = 0.0044643 k( 56) = ( 0.0000000 0.4718999 0.8835529), wk = 0.0044643 k( 57) = ( 0.0000000 0.4735528 0.8609909), wk = 0.0044643 k( 58) = ( 0.0000000 0.4752057 0.8384290), wk = 0.0044643 k( 59) = ( 0.0000000 0.4768587 0.8158671), wk = 0.0044643 k( 60) = ( 0.0000000 0.4785117 0.7933051), wk = 0.0044643 k( 61) = ( 0.0000000 0.4801646 0.7707432), wk = 0.0044643 k( 62) = ( 0.0000000 0.4818175 0.7481813), wk = 0.0044643 k( 63) = ( 0.0000000 0.4834705 0.7256193), wk = 0.0044643 k( 64) = ( 0.0000000 0.4851235 0.7030574), wk = 0.0044643 k( 65) = ( 0.0000000 0.4867764 0.6804955), wk = 0.0044643 k( 66) = ( 0.0000000 0.4884293 0.6579335), wk = 0.0044643 k( 67) = ( 0.0000000 0.4900823 0.6353716), wk = 0.0044643 k( 68) = ( 0.0000000 0.4917353 0.6128097), wk = 0.0044643 k( 69) = ( 0.0000000 0.4933882 0.5902477), wk = 0.0044643 k( 70) = ( 0.0000000 0.4950411 0.5676858), wk = 0.0044643 k( 71) = ( 0.0000000 0.4966941 0.5451239), wk = 0.0044643 k( 72) = ( 0.0000000 0.4983471 0.5225619), wk = 0.0044643 k( 73) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044643 k( 74) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044643 k( 75) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0044643 k( 76) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0044643 k( 77) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0044643 k( 78) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0044643 k( 79) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0044643 k( 80) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0044643 k( 81) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0044643 k( 82) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0044643 k( 83) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0044643 k( 84) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0044643 k( 85) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0044643 k( 86) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0044643 k( 87) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0044643 k( 88) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0044643 k( 89) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0044643 k( 90) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0044643 k( 91) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0044643 k( 92) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0044643 k( 93) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0044643 k( 94) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0044643 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044643 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044643 k( 97) = ( 0.5000000 0.5016529 0.4774381), wk = 0.0044643 k( 98) = ( 0.5000000 0.5033059 0.4548761), wk = 0.0044643 k( 99) = ( 0.5000000 0.5049588 0.4323142), wk = 0.0044643 k( 100) = ( 0.5000000 0.5066118 0.4097523), wk = 0.0044643 k( 101) = ( 0.5000000 0.5082648 0.3871903), wk = 0.0044643 k( 102) = ( 0.5000000 0.5099177 0.3646284), wk = 0.0044643 k( 103) = ( 0.5000000 0.5115707 0.3420665), wk = 0.0044643 k( 104) = ( 0.5000000 0.5132236 0.3195045), wk = 0.0044643 k( 105) = ( 0.5000000 0.5148765 0.2969426), wk = 0.0044643 k( 106) = ( 0.5000000 0.5165295 0.2743807), wk = 0.0044643 k( 107) = ( 0.5000000 0.5181824 0.2518187), wk = 0.0044643 k( 108) = ( 0.5000000 0.5198354 0.2292568), wk = 0.0044643 k( 109) = ( 0.5000000 0.5214884 0.2066949), wk = 0.0044643 k( 110) = ( 0.5000000 0.5231413 0.1841329), wk = 0.0044643 k( 111) = ( 0.5000000 0.5247943 0.1615710), wk = 0.0044643 k( 112) = ( 0.5000000 0.5264472 0.1390091), wk = 0.0044643 k( 113) = ( 0.5000000 0.5281001 0.1164471), wk = 0.0044643 k( 114) = ( 0.5000000 0.5281001 0.1164471), wk = 0.0044643 k( 115) = ( 0.5000000 0.5224801 0.0931577), wk = 0.0044643 k( 116) = ( 0.5000000 0.5168601 0.0698683), wk = 0.0044643 k( 117) = ( 0.5000000 0.5112401 0.0465788), wk = 0.0044643 k( 118) = ( 0.5000000 0.5056200 0.0232894), wk = 0.0044643 k( 119) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044643 k( 120) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044643 k( 121) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0044643 k( 122) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0044643 k( 123) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0044643 k( 124) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0044643 k( 125) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0044643 k( 126) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0044643 k( 127) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0044643 k( 128) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0044643 k( 129) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0044643 k( 130) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0044643 k( 131) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0044643 k( 132) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0044643 k( 133) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0044643 k( 134) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0044643 k( 135) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0044643 k( 136) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0044643 k( 137) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0044643 k( 138) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0044643 k( 139) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0044643 k( 140) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0044643 k( 141) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044643 k( 142) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044643 k( 143) = ( 0.0000000 0.5056200 0.0232894), wk = 0.0044643 k( 144) = ( 0.0000000 0.5112401 0.0465788), wk = 0.0044643 k( 145) = ( 0.0000000 0.5168601 0.0698683), wk = 0.0044643 k( 146) = ( 0.0000000 0.5224801 0.0931577), wk = 0.0044643 k( 147) = ( 0.0000000 0.5281001 0.1164471), wk = 0.0044643 k( 148) = ( 0.5000000 0.4718999 0.8835529), wk = 0.0044643 k( 149) = ( 0.5000000 0.4571530 0.8715669), wk = 0.0044643 k( 150) = ( 0.5000000 0.4424061 0.8595808), wk = 0.0044643 k( 151) = ( 0.5000000 0.4276592 0.8475948), wk = 0.0044643 k( 152) = ( 0.5000000 0.4129124 0.8356088), wk = 0.0044643 k( 153) = ( 0.5000000 0.3981655 0.8236227), wk = 0.0044643 k( 154) = ( 0.5000000 0.3834186 0.8116367), wk = 0.0044643 k( 155) = ( 0.5000000 0.3686718 0.7996507), wk = 0.0044643 k( 156) = ( 0.5000000 0.3539249 0.7876647), wk = 0.0044643 k( 157) = ( 0.5000000 0.3391780 0.7756786), wk = 0.0044643 k( 158) = ( 0.5000000 0.3244312 0.7636926), wk = 0.0044643 k( 159) = ( 0.5000000 0.3096843 0.7517066), wk = 0.0044643 k( 160) = ( 0.5000000 0.2949374 0.7397206), wk = 0.0044643 k( 161) = ( 0.5000000 0.2801905 0.7277345), wk = 0.0044643 k( 162) = ( 0.5000000 0.2654437 0.7157485), wk = 0.0044643 k( 163) = ( 0.5000000 0.2506968 0.7037625), wk = 0.0044643 k( 164) = ( 0.5000000 0.2359499 0.6917764), wk = 0.0044643 k( 165) = ( 0.5000000 0.2212031 0.6797904), wk = 0.0044643 k( 166) = ( 0.5000000 0.2064562 0.6678044), wk = 0.0044643 k( 167) = ( 0.5000000 0.1917093 0.6558184), wk = 0.0044643 k( 168) = ( 0.5000000 0.1769624 0.6438323), wk = 0.0044643 k( 169) = ( 0.5000000 0.1622156 0.6318463), wk = 0.0044643 k( 170) = ( 0.5000000 0.1474687 0.6198603), wk = 0.0044643 k( 171) = ( 0.5000000 0.1327218 0.6078743), wk = 0.0044643 k( 172) = ( 0.5000000 0.1179750 0.5958882), wk = 0.0044643 k( 173) = ( 0.5000000 0.1032281 0.5839022), wk = 0.0044643 k( 174) = ( 0.5000000 0.0884812 0.5719162), wk = 0.0044643 k( 175) = ( 0.5000000 0.0737343 0.5599301), wk = 0.0044643 k( 176) = ( 0.5000000 0.0589875 0.5479441), wk = 0.0044643 k( 177) = ( 0.5000000 0.0442406 0.5359581), wk = 0.0044643 k( 178) = ( 0.5000000 0.0294937 0.5239721), wk = 0.0044643 k( 179) = ( 0.5000000 0.0147469 0.5119860), wk = 0.0044643 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044643 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044643 k( 182) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0044643 k( 183) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0044643 k( 184) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0044643 k( 185) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0044643 k( 186) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0044643 k( 187) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0044643 k( 188) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0044643 k( 189) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0044643 k( 190) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0044643 k( 191) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0044643 k( 192) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0044643 k( 193) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0044643 k( 194) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0044643 k( 195) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0044643 k( 196) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0044643 k( 197) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0044643 k( 198) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0044643 k( 199) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0044643 k( 200) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0044643 k( 201) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0044643 k( 202) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0044643 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 204) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0044643 k( 205) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0044643 k( 206) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0044643 k( 207) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0044643 k( 208) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0044643 k( 209) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0044643 k( 210) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0044643 k( 211) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0044643 k( 212) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0044643 k( 213) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0044643 k( 214) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0044643 k( 215) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0044643 k( 216) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0044643 k( 217) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0044643 k( 218) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0044643 k( 219) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0044643 k( 220) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0044643 k( 221) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0044643 k( 222) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0044643 k( 223) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0044643 k( 224) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044643 Dense grid: 181053 G-vectors FFT dimensions: ( 90, 54, 96) Smooth grid: 90667 G-vectors FFT dimensions: ( 72, 40, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 322, 68) NL pseudopotentials 0.53 Mb ( 161, 216) Each V/rho on FFT grid 0.15 Mb ( 9720) Each G-vector array 0.02 Mb ( 2515) G-vector shells 0.02 Mb ( 2370) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 322, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.45 Mb ( 216, 2, 68) The potential is recalculated from file : ./SiH3F.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 7.3 secs Computing kpt #: 3 total cpu time spent up to now is 8.9 secs Computing kpt #: 4 total cpu time spent up to now is 10.5 secs Computing kpt #: 5 total cpu time spent up to now is 12.2 secs Computing kpt #: 6 total cpu time spent up to now is 13.9 secs Computing kpt #: 7 total cpu time spent up to now is 15.7 secs Computing kpt #: 8 total cpu time spent up to now is 17.5 secs Computing kpt #: 9 total cpu time spent up to now is 19.2 secs Computing kpt #: 10 total cpu time spent up to now is 20.9 secs Computing kpt #: 11 total cpu time spent up to now is 22.6 secs Computing kpt #: 12 total cpu time spent up to now is 24.3 secs Computing kpt #: 13 total cpu time spent up to now is 26.0 secs Computing kpt #: 14 total cpu time spent up to now is 27.7 secs Computing kpt #: 15 total cpu time spent up to now is 29.4 secs Computing kpt #: 16 total cpu time spent up to now is 31.1 secs Computing kpt #: 17 total cpu time spent up to now is 32.8 secs Computing kpt #: 18 total cpu time spent up to now is 34.6 secs Computing kpt #: 19 total cpu time spent up to now is 36.3 secs Computing kpt #: 20 total cpu time spent up to now is 37.9 secs Computing kpt #: 21 total cpu time spent up to now is 39.7 secs Computing kpt #: 22 total cpu time spent up to now is 41.4 secs Computing kpt #: 23 total cpu time spent up to now is 43.0 secs Computing kpt #: 24 total cpu time spent up to now is 44.8 secs Computing kpt #: 25 total cpu time spent up to now is 46.6 secs Computing kpt #: 26 total cpu time spent up to now is 48.4 secs Computing kpt #: 27 total cpu time spent up to now is 50.2 secs Computing kpt #: 28 total cpu time spent up to now is 51.9 secs Computing kpt #: 29 total cpu time spent up to now is 53.6 secs Computing kpt #: 30 total cpu time spent up to now is 55.2 secs Computing kpt #: 31 total cpu time spent up to now is 56.8 secs Computing kpt #: 32 total cpu time spent up to now is 58.4 secs Computing kpt #: 33 total cpu time spent up to now is 60.0 secs Computing kpt #: 34 total cpu time spent up to now is 61.6 secs Computing kpt #: 35 total cpu time spent up to now is 63.2 secs Computing kpt #: 36 total cpu time spent up to now is 64.7 secs Computing kpt #: 37 total cpu time spent up to now is 66.3 secs Computing kpt #: 38 total cpu time spent up to now is 67.9 secs Computing kpt #: 39 total cpu time spent up to now is 69.5 secs Computing kpt #: 40 total cpu time spent up to now is 71.1 secs Computing kpt #: 41 total cpu time spent up to now is 72.7 secs Computing kpt #: 42 total cpu time spent up to now is 74.2 secs Computing kpt #: 43 total cpu time spent up to now is 75.9 secs Computing kpt #: 44 total cpu time spent up to now is 77.6 secs Computing kpt #: 45 total cpu time spent up to now is 79.3 secs Computing kpt #: 46 total cpu time spent up to now is 80.9 secs Computing kpt #: 47 total cpu time spent up to now is 82.5 secs Computing kpt #: 48 total cpu time spent up to now is 84.0 secs Computing kpt #: 49 total cpu time spent up to now is 85.6 secs Computing kpt #: 50 total cpu time spent up to now is 87.1 secs Computing kpt #: 51 total cpu time spent up to now is 88.6 secs Computing kpt #: 52 total cpu time spent up to now is 90.2 secs Computing kpt #: 53 total cpu time spent up to now is 91.5 secs Computing kpt #: 54 total cpu time spent up to now is 93.0 secs Computing kpt #: 55 total cpu time spent up to now is 94.5 secs Computing kpt #: 56 total cpu time spent up to now is 95.9 secs Computing kpt #: 57 total cpu time spent up to now is 97.4 secs Computing kpt #: 58 total cpu time spent up to now is 99.0 secs Computing kpt #: 59 total cpu time spent up to now is 100.6 secs Computing kpt #: 60 total cpu time spent up to now is 102.2 secs Computing kpt #: 61 total cpu time spent up to now is 103.8 secs Computing kpt #: 62 total cpu time spent up to now is 105.4 secs Computing kpt #: 63 total cpu time spent up to now is 107.0 secs Computing kpt #: 64 total cpu time spent up to now is 108.7 secs Computing kpt #: 65 total cpu time spent up to now is 110.4 secs Computing kpt #: 66 total cpu time spent up to now is 112.0 secs Computing kpt #: 67 total cpu time spent up to now is 113.6 secs Computing kpt #: 68 total cpu time spent up to now is 115.1 secs Computing kpt #: 69 total cpu time spent up to now is 116.5 secs Computing kpt #: 70 total cpu time spent up to now is 117.9 secs Computing kpt #: 71 total cpu time spent up to now is 119.3 secs Computing kpt #: 72 total cpu time spent up to now is 120.7 secs Computing kpt #: 73 total cpu time spent up to now is 122.1 secs Computing kpt #: 74 total cpu time spent up to now is 123.5 secs Computing kpt #: 75 total cpu time spent up to now is 124.9 secs Computing kpt #: 76 total cpu time spent up to now is 126.3 secs Computing kpt #: 77 total cpu time spent up to now is 127.8 secs Computing kpt #: 78 total cpu time spent up to now is 129.2 secs Computing kpt #: 79 total cpu time spent up to now is 130.6 secs Computing kpt #: 80 total cpu time spent up to now is 132.3 secs Computing kpt #: 81 total cpu time spent up to now is 133.9 secs Computing kpt #: 82 total cpu time spent up to now is 135.5 secs Computing kpt #: 83 total cpu time spent up to now is 137.1 secs Computing kpt #: 84 total cpu time spent up to now is 138.8 secs Computing kpt #: 85 total cpu time spent up to now is 140.4 secs Computing kpt #: 86 total cpu time spent up to now is 142.0 secs Computing kpt #: 87 total cpu time spent up to now is 143.7 secs Computing kpt #: 88 total cpu time spent up to now is 145.3 secs Computing kpt #: 89 total cpu time spent up to now is 146.9 secs Computing kpt #: 90 total cpu time spent up to now is 148.5 secs Computing kpt #: 91 total cpu time spent up to now is 150.1 secs Computing kpt #: 92 total cpu time spent up to now is 151.8 secs Computing kpt #: 93 total cpu time spent up to now is 153.2 secs Computing kpt #: 94 total cpu time spent up to now is 154.6 secs Computing kpt #: 95 total cpu time spent up to now is 156.0 secs Computing kpt #: 96 total cpu time spent up to now is 157.4 secs Computing kpt #: 97 total cpu time spent up to now is 159.0 secs Computing kpt #: 98 total cpu time spent up to now is 160.4 secs Computing kpt #: 99 total cpu time spent up to now is 161.9 secs Computing kpt #: 100 total cpu time spent up to now is 163.3 secs Computing kpt #: 101 total cpu time spent up to now is 164.9 secs Computing kpt #: 102 total cpu time spent up to now is 166.3 secs Computing kpt #: 103 total cpu time spent up to now is 167.6 secs Computing kpt #: 104 total cpu time spent up to now is 169.0 secs Computing kpt #: 105 total cpu time spent up to now is 170.4 secs Computing kpt #: 106 total cpu time spent up to now is 171.8 secs Computing kpt #: 107 total cpu time spent up to now is 173.4 secs Computing kpt #: 108 total cpu time spent up to now is 175.0 secs Computing kpt #: 109 total cpu time spent up to now is 176.6 secs Computing kpt #: 110 total cpu time spent up to now is 178.2 secs Computing kpt #: 111 total cpu time spent up to now is 179.8 secs Computing kpt #: 112 total cpu time spent up to now is 181.3 secs Computing kpt #: 113 total cpu time spent up to now is 182.9 secs Computing kpt #: 114 total cpu time spent up to now is 184.4 secs Computing kpt #: 115 total cpu time spent up to now is 186.0 secs Computing kpt #: 116 total cpu time spent up to now is 187.5 secs Computing kpt #: 117 total cpu time spent up to now is 189.1 secs Computing kpt #: 118 total cpu time spent up to now is 190.6 secs Computing kpt #: 119 total cpu time spent up to now is 192.2 secs Computing kpt #: 120 total cpu time spent up to now is 193.7 secs Computing kpt #: 121 total cpu time spent up to now is 195.3 secs Computing kpt #: 122 total cpu time spent up to now is 196.8 secs Computing kpt #: 123 total cpu time spent up to now is 198.4 secs Computing kpt #: 124 total cpu time spent up to now is 200.0 secs Computing kpt #: 125 total cpu time spent up to now is 201.7 secs Computing kpt #: 126 total cpu time spent up to now is 203.6 secs Computing kpt #: 127 total cpu time spent up to now is 205.3 secs Computing kpt #: 128 total cpu time spent up to now is 207.0 secs Computing kpt #: 129 total cpu time spent up to now is 208.7 secs Computing kpt #: 130 total cpu time spent up to now is 210.4 secs Computing kpt #: 131 total cpu time spent up to now is 212.0 secs Computing kpt #: 132 total cpu time spent up to now is 213.6 secs Computing kpt #: 133 total cpu time spent up to now is 215.2 secs Computing kpt #: 134 total cpu time spent up to now is 216.8 secs Computing kpt #: 135 total cpu time spent up to now is 218.4 secs Computing kpt #: 136 total cpu time spent up to now is 220.0 secs Computing kpt #: 137 total cpu time spent up to now is 221.6 secs Computing kpt #: 138 total cpu time spent up to now is 223.2 secs Computing kpt #: 139 total cpu time spent up to now is 224.8 secs Computing kpt #: 140 total cpu time spent up to now is 226.4 secs Computing kpt #: 141 total cpu time spent up to now is 228.0 secs Computing kpt #: 142 total cpu time spent up to now is 229.6 secs Computing kpt #: 143 total cpu time spent up to now is 231.1 secs Computing kpt #: 144 total cpu time spent up to now is 232.7 secs Computing kpt #: 145 total cpu time spent up to now is 234.3 secs Computing kpt #: 146 total cpu time spent up to now is 235.7 secs Computing kpt #: 147 total cpu time spent up to now is 237.2 secs Computing kpt #: 148 total cpu time spent up to now is 238.8 secs Computing kpt #: 149 total cpu time spent up to now is 240.4 secs Computing kpt #: 150 total cpu time spent up to now is 241.9 secs Computing kpt #: 151 total cpu time spent up to now is 243.5 secs Computing kpt #: 152 total cpu time spent up to now is 245.1 secs Computing kpt #: 153 total cpu time spent up to now is 246.7 secs Computing kpt #: 154 total cpu time spent up to now is 248.3 secs Computing kpt #: 155 total cpu time spent up to now is 249.9 secs Computing kpt #: 156 total cpu time spent up to now is 251.5 secs Computing kpt #: 157 total cpu time spent up to now is 253.2 secs Computing kpt #: 158 total cpu time spent up to now is 254.8 secs Computing kpt #: 159 total cpu time spent up to now is 256.4 secs Computing kpt #: 160 total cpu time spent up to now is 258.0 secs Computing kpt #: 161 total cpu time spent up to now is 259.5 secs Computing kpt #: 162 total cpu time spent up to now is 260.9 secs Computing kpt #: 163 total cpu time spent up to now is 262.3 secs Computing kpt #: 164 total cpu time spent up to now is 263.7 secs Computing kpt #: 165 total cpu time spent up to now is 265.1 secs Computing kpt #: 166 total cpu time spent up to now is 266.5 secs Computing kpt #: 167 total cpu time spent up to now is 267.9 secs Computing kpt #: 168 total cpu time spent up to now is 269.3 secs Computing kpt #: 169 total cpu time spent up to now is 270.7 secs Computing kpt #: 170 total cpu time spent up to now is 272.1 secs Computing kpt #: 171 total cpu time spent up to now is 273.7 secs Computing kpt #: 172 total cpu time spent up to now is 275.3 secs Computing kpt #: 173 total cpu time spent up to now is 276.7 secs Computing kpt #: 174 total cpu time spent up to now is 278.3 secs Computing kpt #: 175 total cpu time spent up to now is 279.9 secs Computing kpt #: 176 total cpu time spent up to now is 281.5 secs Computing kpt #: 177 total cpu time spent up to now is 283.1 secs Computing kpt #: 178 total cpu time spent up to now is 284.7 secs Computing kpt #: 179 total cpu time spent up to now is 286.3 secs Computing kpt #: 180 total cpu time spent up to now is 287.7 secs Computing kpt #: 181 total cpu time spent up to now is 289.1 secs Computing kpt #: 182 total cpu time spent up to now is 290.7 secs Computing kpt #: 183 total cpu time spent up to now is 292.3 secs Computing kpt #: 184 total cpu time spent up to now is 293.9 secs Computing kpt #: 185 total cpu time spent up to now is 295.5 secs Computing kpt #: 186 total cpu time spent up to now is 297.1 secs Computing kpt #: 187 total cpu time spent up to now is 298.9 secs Computing kpt #: 188 total cpu time spent up to now is 300.5 secs Computing kpt #: 189 total cpu time spent up to now is 302.1 secs Computing kpt #: 190 total cpu time spent up to now is 303.7 secs Computing kpt #: 191 total cpu time spent up to now is 305.3 secs Computing kpt #: 192 total cpu time spent up to now is 306.9 secs Computing kpt #: 193 total cpu time spent up to now is 308.5 secs Computing kpt #: 194 total cpu time spent up to now is 309.9 secs Computing kpt #: 195 total cpu time spent up to now is 311.2 secs Computing kpt #: 196 total cpu time spent up to now is 312.6 secs Computing kpt #: 197 total cpu time spent up to now is 314.0 secs Computing kpt #: 198 total cpu time spent up to now is 315.3 secs Computing kpt #: 199 total cpu time spent up to now is 316.7 secs Computing kpt #: 200 total cpu time spent up to now is 318.0 secs Computing kpt #: 201 total cpu time spent up to now is 319.3 secs Computing kpt #: 202 total cpu time spent up to now is 320.6 secs Computing kpt #: 203 total cpu time spent up to now is 322.3 secs Computing kpt #: 204 total cpu time spent up to now is 324.1 secs Computing kpt #: 205 total cpu time spent up to now is 325.8 secs Computing kpt #: 206 total cpu time spent up to now is 327.5 secs Computing kpt #: 207 total cpu time spent up to now is 329.2 secs Computing kpt #: 208 total cpu time spent up to now is 330.9 secs Computing kpt #: 209 total cpu time spent up to now is 332.6 secs Computing kpt #: 210 total cpu time spent up to now is 334.3 secs Computing kpt #: 211 total cpu time spent up to now is 335.9 secs Computing kpt #: 212 total cpu time spent up to now is 337.5 secs Computing kpt #: 213 total cpu time spent up to now is 339.2 secs Computing kpt #: 214 total cpu time spent up to now is 340.8 secs Computing kpt #: 215 total cpu time spent up to now is 342.4 secs Computing kpt #: 216 total cpu time spent up to now is 344.1 secs Computing kpt #: 217 total cpu time spent up to now is 345.7 secs Computing kpt #: 218 total cpu time spent up to now is 347.3 secs Computing kpt #: 219 total cpu time spent up to now is 349.0 secs Computing kpt #: 220 total cpu time spent up to now is 350.6 secs Computing kpt #: 221 total cpu time spent up to now is 352.2 secs Computing kpt #: 222 total cpu time spent up to now is 353.8 secs Computing kpt #: 223 total cpu time spent up to now is 355.4 secs Computing kpt #: 224 total cpu time spent up to now is 356.8 secs ethr = 1.79E-08, avg # of iterations = 22.4 total cpu time spent up to now is 356.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11335 PWs) bands (ev): -24.9819 -24.9819 -24.9701 -24.9701 -24.9079 -24.9079 -24.8974 -24.8974 -9.6270 -9.6270 -9.4362 -9.4362 -9.0076 -9.0076 -8.9740 -8.9740 -7.0551 -7.0551 -6.8116 -6.8116 -6.6468 -6.6468 -6.2440 -6.2440 -5.9379 -5.9379 -5.8957 -5.8957 -5.8470 -5.8470 -5.8105 -5.8105 -5.7821 -5.7821 -5.6855 -5.6855 -5.5509 -5.5509 -5.3737 -5.3737 -3.7614 -3.7614 -3.7238 -3.7238 -3.6488 -3.6488 -3.6044 -3.6044 -3.2767 -3.2767 -3.1835 -3.1835 -3.0532 -3.0532 -3.0448 -3.0448 3.3709 3.3709 3.7594 3.7594 4.2114 4.2114 4.9898 4.9898 5.4686 5.4686 5.5526 5.5526 k = 0.0000 0.0000 0.0239 ( 11331 PWs) bands (ev): -24.9818 -24.9818 -24.9701 -24.9701 -24.9079 -24.9079 -24.8974 -24.8974 -9.6265 -9.6265 -9.4356 -9.4356 -9.0102 -9.0102 -8.9735 -8.9735 -7.0535 -7.0535 -6.8100 -6.8100 -6.6465 -6.6465 -6.2443 -6.2443 -5.9387 -5.9387 -5.8957 -5.8957 -5.8500 -5.8500 -5.8092 -5.8092 -5.7821 -5.7821 -5.6848 -5.6848 -5.5516 -5.5516 -5.3740 -5.3740 -3.7614 -3.7614 -3.7254 -3.7254 -3.6466 -3.6466 -3.6038 -3.6038 -3.2763 -3.2763 -3.1839 -3.1839 -3.0573 -3.0573 -3.0417 -3.0417 3.3728 3.3728 3.7614 3.7614 4.2115 4.2115 4.9877 4.9877 5.4689 5.4689 5.5556 5.5556 k = 0.0000 0.0000 0.0479 ( 11343 PWs) bands (ev): -24.9818 -24.9818 -24.9702 -24.9702 -24.9079 -24.9079 -24.8974 -24.8974 -9.6248 -9.6248 -9.4339 -9.4339 -9.0173 -9.0173 -8.9727 -8.9727 -7.0488 -7.0488 -6.8052 -6.8052 -6.6455 -6.6455 -6.2449 -6.2449 -5.9411 -5.9411 -5.8957 -5.8957 -5.8578 -5.8578 -5.8064 -5.8064 -5.7821 -5.7821 -5.6829 -5.6829 -5.5538 -5.5538 -5.3750 -5.3750 -3.7616 -3.7616 -3.7297 -3.7297 -3.6405 -3.6405 -3.6020 -3.6020 -3.2751 -3.2751 -3.1851 -3.1851 -3.0650 -3.0650 -3.0374 -3.0374 3.3785 3.3785 3.7672 3.7672 4.2118 4.2118 4.9815 4.9815 5.4700 5.4700 5.5642 5.5642 k = 0.0000 0.0000 0.0718 ( 11347 PWs) bands (ev): -24.9817 -24.9817 -24.9703 -24.9703 -24.9078 -24.9078 -24.8975 -24.8975 -9.6220 -9.6220 -9.4309 -9.4309 -9.0277 -9.0277 -8.9726 -8.9726 -7.0409 -7.0409 -6.7973 -6.7973 -6.6438 -6.6438 -6.2459 -6.2459 -5.9455 -5.9455 -5.8958 -5.8958 -5.8682 -5.8682 -5.8033 -5.8033 -5.7822 -5.7822 -5.6803 -5.6803 -5.5572 -5.5572 -5.3766 -5.3766 -3.7618 -3.7618 -3.7357 -3.7357 -3.6315 -3.6315 -3.5990 -3.5990 -3.2732 -3.2732 -3.1869 -3.1869 -3.0742 -3.0742 -3.0338 -3.0338 3.3880 3.3880 3.7769 3.7769 4.2122 4.2122 4.9714 4.9714 5.4721 5.4721 5.5779 5.5779 k = 0.0000 0.0000 0.0958 ( 11343 PWs) bands (ev): -24.9816 -24.9816 -24.9704 -24.9704 -24.9077 -24.9077 -24.8976 -24.8976 -9.6180 -9.6180 -9.4269 -9.4269 -9.0407 -9.0407 -8.9740 -8.9740 -7.0299 -7.0299 -6.7864 -6.7864 -6.6414 -6.6414 -6.2472 -6.2472 -5.9528 -5.9528 -5.8963 -5.8963 -5.8790 -5.8790 -5.8008 -5.8008 -5.7822 -5.7822 -5.6776 -5.6776 -5.5614 -5.5614 -5.3788 -5.3788 -3.7622 -3.7622 -3.7423 -3.7423 -3.6207 -3.6207 -3.5946 -3.5946 -3.2705 -3.2705 -3.1895 -3.1895 -3.0844 -3.0844 -3.0313 -3.0313 3.4012 3.4012 3.7903 3.7903 4.2126 4.2126 4.9578 4.9578 5.4754 5.4754 5.5959 5.5959 k = 0.0000 0.0000 0.1197 ( 11334 PWs) bands (ev): -24.9815 -24.9815 -24.9705 -24.9705 -24.9075 -24.9075 -24.8977 -24.8977 -9.6130 -9.6130 -9.4216 -9.4216 -9.0557 -9.0557 -8.9771 -8.9771 -7.0160 -7.0160 -6.7729 -6.7729 -6.6384 -6.6384 -6.2487 -6.2487 -5.9639 -5.9639 -5.8985 -5.8985 -5.8874 -5.8874 -5.7989 -5.7989 -5.7823 -5.7823 -5.6757 -5.6757 -5.5659 -5.5659 -5.3816 -5.3816 -3.7627 -3.7627 -3.7492 -3.7492 -3.6088 -3.6088 -3.5887 -3.5887 -3.2672 -3.2672 -3.1927 -3.1927 -3.0958 -3.0958 -3.0298 -3.0298 3.4180 3.4180 3.8074 3.8074 4.2129 4.2129 4.9409 4.9409 5.4801 5.4801 5.6152 5.6152 k = 0.0000 0.0000 0.1437 ( 11336 PWs) bands (ev): -24.9813 -24.9813 -24.9707 -24.9707 -24.9074 -24.9074 -24.8979 -24.8979 -9.6068 -9.6068 -9.4153 -9.4153 -9.0723 -9.0723 -8.9822 -8.9822 -6.9991 -6.9991 -6.7569 -6.7569 -6.6348 -6.6348 -6.2504 -6.2504 -5.9793 -5.9793 -5.9044 -5.9044 -5.8906 -5.8906 -5.7976 -5.7976 -5.7824 -5.7824 -5.6755 -5.6755 -5.5699 -5.5699 -5.3850 -5.3850 -3.7634 -3.7634 -3.7558 -3.7558 -3.5966 -3.5966 -3.5811 -3.5811 -3.2633 -3.2633 -3.1965 -3.1965 -3.1081 -3.1081 -3.0294 -3.0294 3.4382 3.4382 3.8280 3.8280 4.2128 4.2128 4.9212 4.9212 5.4863 5.4863 5.6230 5.6230 k = 0.0000 0.0000 0.1676 ( 11338 PWs) bands (ev): -24.9811 -24.9811 -24.9709 -24.9709 -24.9072 -24.9072 -24.8981 -24.8981 -9.5996 -9.5996 -9.4078 -9.4078 -9.0904 -9.0904 -8.9891 -8.9891 -6.9793 -6.9793 -6.7389 -6.7389 -6.6306 -6.6306 -6.2520 -6.2520 -5.9991 -5.9991 -5.9114 -5.9114 -5.8911 -5.8911 -5.7968 -5.7968 -5.7825 -5.7825 -5.6780 -5.6780 -5.5726 -5.5726 -5.3890 -5.3890 -3.7644 -3.7644 -3.7621 -3.7621 -3.5847 -3.5847 -3.5711 -3.5711 -3.2591 -3.2591 -3.2007 -3.2007 -3.1214 -3.1214 -3.0301 -3.0301 3.4618 3.4618 3.8519 3.8519 4.2121 4.2121 4.8990 4.8990 5.4942 5.4942 5.6307 5.6307 k = 0.0000 0.0000 0.1916 ( 11340 PWs) bands (ev): -24.9808 -24.9808 -24.9712 -24.9712 -24.9070 -24.9070 -24.8983 -24.8983 -9.5913 -9.5913 -9.3993 -9.3993 -9.1097 -9.1097 -8.9978 -8.9978 -6.9569 -6.9569 -6.7191 -6.7191 -6.6258 -6.6258 -6.2535 -6.2535 -6.0226 -6.0226 -5.9180 -5.9180 -5.8908 -5.8908 -5.7965 -5.7965 -5.7826 -5.7826 -5.6836 -5.6836 -5.5733 -5.5733 -5.3935 -5.3935 -3.7680 -3.7680 -3.7653 -3.7653 -3.5735 -3.5735 -3.5588 -3.5588 -3.2548 -3.2548 -3.2050 -3.2050 -3.1355 -3.1355 -3.0317 -3.0317 3.4885 3.4885 3.8791 3.8791 4.2106 4.2106 4.8743 4.8743 5.5037 5.5037 5.6395 5.6395 k = 0.0000 0.0000 0.2155 ( 11337 PWs) bands (ev): -24.9806 -24.9806 -24.9714 -24.9714 -24.9068 -24.9068 -24.8985 -24.8985 -9.5819 -9.5819 -9.3897 -9.3897 -9.1299 -9.1299 -9.0082 -9.0082 -6.9319 -6.9319 -6.6980 -6.6980 -6.6206 -6.6206 -6.2545 -6.2545 -6.0492 -6.0492 -5.9244 -5.9244 -5.8901 -5.8901 -5.7967 -5.7967 -5.7827 -5.7827 -5.6924 -5.6924 -5.5718 -5.5718 -5.3985 -5.3985 -3.7731 -3.7731 -3.7667 -3.7667 -3.5624 -3.5624 -3.5448 -3.5448 -3.2511 -3.2511 -3.2088 -3.2088 -3.1504 -3.1504 -3.0344 -3.0344 3.5181 3.5181 3.9092 3.9092 4.2079 4.2079 4.8475 4.8475 5.5148 5.5148 5.6494 5.6494 k = 0.0000 0.0000 0.2395 ( 11337 PWs) bands (ev): -24.9803 -24.9803 -24.9717 -24.9717 -24.9065 -24.9065 -24.8988 -24.8988 -9.5714 -9.5714 -9.3790 -9.3790 -9.1510 -9.1510 -9.0201 -9.0201 -6.9046 -6.9046 -6.6763 -6.6763 -6.6149 -6.6149 -6.2548 -6.2548 -6.0783 -6.0783 -5.9311 -5.9311 -5.8892 -5.8892 -5.7974 -5.7974 -5.7828 -5.7828 -5.7039 -5.7039 -5.5683 -5.5683 -5.4039 -5.4039 -3.7777 -3.7777 -3.7682 -3.7682 -3.5509 -3.5509 -3.5298 -3.5298 -3.2492 -3.2492 -3.2110 -3.2110 -3.1660 -3.1660 -3.0380 -3.0380 3.5504 3.5504 3.9419 3.9419 4.2037 4.2037 4.8187 4.8187 5.5277 5.5277 5.6604 5.6604 k = 0.0000 0.0000 0.2634 ( 11334 PWs) bands (ev): -24.9800 -24.9800 -24.9720 -24.9720 -24.9062 -24.9062 -24.8990 -24.8990 -9.5599 -9.5599 -9.3674 -9.3674 -9.1727 -9.1727 -9.0335 -9.0335 -6.8751 -6.8751 -6.6543 -6.6543 -6.6089 -6.6089 -6.2540 -6.2540 -6.1095 -6.1095 -5.9384 -5.9384 -5.8881 -5.8881 -5.7987 -5.7987 -5.7829 -5.7829 -5.7171 -5.7171 -5.5634 -5.5634 -5.4099 -5.4099 -3.7816 -3.7816 -3.7699 -3.7699 -3.5386 -3.5386 -3.5144 -3.5144 -3.2504 -3.2504 -3.2103 -3.2103 -3.1822 -3.1822 -3.0425 -3.0425 3.5851 3.5851 3.9772 3.9772 4.1977 4.1977 4.7880 4.7880 5.5422 5.5422 5.6726 5.6726 k = 0.0000 0.0000 0.2874 ( 11332 PWs) bands (ev): -24.9796 -24.9796 -24.9723 -24.9723 -24.9059 -24.9059 -24.8993 -24.8993 -9.5474 -9.5474 -9.3548 -9.3548 -9.1948 -9.1948 -9.0480 -9.0480 -6.8436 -6.8436 -6.6328 -6.6328 -6.6025 -6.6025 -6.2517 -6.2517 -6.1425 -6.1425 -5.9469 -5.9469 -5.8868 -5.8868 -5.8010 -5.8010 -5.7830 -5.7830 -5.7309 -5.7309 -5.5573 -5.5573 -5.4162 -5.4162 -3.7848 -3.7848 -3.7717 -3.7717 -3.5254 -3.5254 -3.4987 -3.4987 -3.2549 -3.2549 -3.2071 -3.2071 -3.1983 -3.1983 -3.0479 -3.0479 3.6219 3.6219 4.0146 4.0146 4.1896 4.1896 4.7555 4.7555 5.5585 5.5585 5.6859 5.6859 k = 0.0000 0.0000 0.3113 ( 11325 PWs) bands (ev): -24.9793 -24.9793 -24.9727 -24.9727 -24.9056 -24.9056 -24.8997 -24.8997 -9.5339 -9.5339 -9.3414 -9.3414 -9.2173 -9.2173 -9.0637 -9.0637 -6.8103 -6.8103 -6.6123 -6.6123 -6.5960 -6.5960 -6.2476 -6.2476 -6.1769 -6.1769 -5.9568 -5.9568 -5.8854 -5.8854 -5.8045 -5.8045 -5.7830 -5.7830 -5.7441 -5.7441 -5.5505 -5.5505 -5.4229 -5.4229 -3.7875 -3.7875 -3.7737 -3.7737 -3.5115 -3.5115 -3.4828 -3.4828 -3.2620 -3.2620 -3.2173 -3.2173 -3.1992 -3.1992 -3.0540 -3.0540 3.6605 3.6605 4.0539 4.0539 4.1789 4.1789 4.7213 4.7213 5.5763 5.5763 5.7002 5.7002 k = 0.0000 0.0000 0.3353 ( 11319 PWs) bands (ev): -24.9789 -24.9789 -24.9731 -24.9731 -24.9053 -24.9053 -24.9000 -24.9000 -9.5194 -9.5194 -9.3270 -9.3270 -9.2400 -9.2400 -9.0803 -9.0803 -6.7755 -6.7755 -6.5938 -6.5938 -6.5892 -6.5892 -6.2420 -6.2420 -6.2117 -6.2117 -5.9688 -5.9688 -5.8836 -5.8836 -5.8098 -5.8098 -5.7830 -5.7830 -5.7554 -5.7554 -5.5431 -5.5431 -5.4300 -5.4300 -3.7895 -3.7895 -3.7758 -3.7758 -3.4967 -3.4967 -3.4670 -3.4670 -3.2708 -3.2708 -3.2347 -3.2347 -3.1917 -3.1917 -3.0609 -3.0609 3.7005 3.7005 4.0948 4.0948 4.1654 4.1654 4.6855 4.6855 5.5956 5.5956 5.7154 5.7154 k = 0.0000 0.0000 0.3592 ( 11321 PWs) bands (ev): -24.9785 -24.9785 -24.9734 -24.9734 -24.9049 -24.9049 -24.9003 -24.9003 -9.5040 -9.5040 -9.3119 -9.3119 -9.2627 -9.2627 -9.0976 -9.0976 -6.7395 -6.7395 -6.5831 -6.5831 -6.5768 -6.5768 -6.2538 -6.2538 -6.2273 -6.2273 -5.9830 -5.9830 -5.8817 -5.8817 -5.8170 -5.8170 -5.7829 -5.7829 -5.7640 -5.7640 -5.5354 -5.5354 -5.4373 -5.4373 -3.7910 -3.7910 -3.7780 -3.7780 -3.4813 -3.4813 -3.4512 -3.4512 -3.2808 -3.2808 -3.2526 -3.2526 -3.1831 -3.1831 -3.0685 -3.0685 3.7415 3.7415 4.1370 4.1370 4.1489 4.1489 4.6482 4.6482 5.6161 5.6161 5.7314 5.7314 k = 0.0000 0.0000 0.3832 ( 11315 PWs) bands (ev): -24.9781 -24.9781 -24.9738 -24.9738 -24.9046 -24.9046 -24.9007 -24.9007 -9.4876 -9.4876 -9.2961 -9.2961 -9.2853 -9.2853 -9.1154 -9.1154 -6.7027 -6.7027 -6.5767 -6.5767 -6.5631 -6.5631 -6.2902 -6.2902 -6.2162 -6.2162 -5.9997 -5.9997 -5.8795 -5.8795 -5.8254 -5.8254 -5.7827 -5.7827 -5.7699 -5.7699 -5.5274 -5.5274 -5.4449 -5.4449 -3.7919 -3.7919 -3.7801 -3.7801 -3.4652 -3.4652 -3.4357 -3.4357 -3.2918 -3.2918 -3.2705 -3.2705 -3.1738 -3.1738 -3.0766 -3.0766 3.7830 3.7830 4.1292 4.1292 4.1801 4.1801 4.6095 4.6095 5.6377 5.6377 5.7481 5.7481 k = 0.0000 0.0000 0.4071 ( 11306 PWs) bands (ev): -24.9777 -24.9777 -24.9743 -24.9743 -24.9042 -24.9042 -24.9011 -24.9011 -9.4704 -9.4704 -9.3078 -9.3078 -9.2795 -9.2795 -9.1337 -9.1337 -6.6655 -6.6655 -6.5708 -6.5708 -6.5517 -6.5517 -6.3287 -6.3287 -6.2004 -6.2004 -6.0189 -6.0189 -5.8769 -5.8769 -5.8342 -5.8342 -5.7825 -5.7825 -5.7738 -5.7738 -5.5192 -5.5192 -5.4528 -5.4528 -3.7922 -3.7922 -3.7823 -3.7823 -3.4487 -3.4487 -3.4207 -3.4207 -3.3038 -3.3038 -3.2880 -3.2880 -3.1641 -3.1641 -3.0853 -3.0853 3.8247 3.8247 4.1062 4.1062 4.2239 4.2239 4.5697 4.5697 5.6600 5.6600 5.7651 5.7651 k = 0.0000 0.0000 0.4311 ( 11302 PWs) bands (ev): -24.9773 -24.9773 -24.9747 -24.9747 -24.9038 -24.9038 -24.9015 -24.9015 -9.4524 -9.4524 -9.3300 -9.3300 -9.2624 -9.2624 -9.1523 -9.1523 -6.6291 -6.6291 -6.5657 -6.5657 -6.5418 -6.5418 -6.3678 -6.3678 -6.1815 -6.1815 -6.0404 -6.0404 -5.8739 -5.8739 -5.8425 -5.8425 -5.7822 -5.7822 -5.7765 -5.7765 -5.5108 -5.5108 -5.4608 -5.4608 -3.7921 -3.7921 -3.7843 -3.7843 -3.4319 -3.4319 -3.4064 -3.4064 -3.3166 -3.3166 -3.3047 -3.3047 -3.1542 -3.1542 -3.0944 -3.0944 3.8660 3.8660 4.0799 4.0799 4.2682 4.2682 4.5287 4.5287 5.6826 5.6826 5.7816 5.7816 k = 0.0000 0.0000 0.4550 ( 11300 PWs) bands (ev): -24.9769 -24.9769 -24.9751 -24.9751 -24.9034 -24.9034 -24.9018 -24.9018 -9.4336 -9.4336 -9.3518 -9.3518 -9.2448 -9.2448 -9.1710 -9.1710 -6.5961 -6.5961 -6.5619 -6.5619 -6.5308 -6.5308 -6.4070 -6.4070 -6.1601 -6.1601 -6.0636 -6.0636 -5.8705 -5.8705 -5.8499 -5.8499 -5.7818 -5.7818 -5.7783 -5.7783 -5.5024 -5.5024 -5.4689 -5.4689 -3.7916 -3.7916 -3.7862 -3.7862 -3.4153 -3.4153 -3.3938 -3.3938 -3.3297 -3.3297 -3.3197 -3.3197 -3.1440 -3.1440 -3.1039 -3.1039 3.9065 3.9065 4.0504 4.0504 4.3125 4.3125 4.4868 4.4868 5.7052 5.7052 5.7856 5.7856 k = 0.0000 0.0000 0.4790 ( 11300 PWs) bands (ev): -24.9764 -24.9764 -24.9755 -24.9755 -24.9030 -24.9030 -24.9022 -24.9022 -9.4141 -9.4141 -9.3731 -9.3731 -9.2268 -9.2268 -9.1898 -9.1898 -6.5729 -6.5729 -6.5603 -6.5603 -6.5120 -6.5120 -6.4456 -6.4456 -6.1369 -6.1369 -6.0878 -6.0878 -5.8665 -5.8665 -5.8563 -5.8563 -5.7812 -5.7812 -5.7795 -5.7795 -5.4940 -5.4940 -5.4772 -5.4772 -3.7907 -3.7907 -3.7880 -3.7880 -3.3997 -3.3997 -3.3856 -3.3856 -3.3401 -3.3401 -3.3324 -3.3324 -3.1339 -3.1339 -3.1137 -3.1137 3.9456 3.9456 4.0180 4.0180 4.3567 4.3567 4.4441 4.4441 5.7273 5.7273 5.7684 5.7684 k = 0.0000 0.0000 0.5029 ( 11284 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9026 -24.9026 -24.9026 -24.9026 -9.3939 -9.3939 -9.3939 -9.3939 -9.2084 -9.2084 -9.2084 -9.2084 -6.5626 -6.5626 -6.5626 -6.5626 -6.4819 -6.4819 -6.4819 -6.4819 -6.1125 -6.1125 -6.1125 -6.1125 -5.8618 -5.8618 -5.8618 -5.8618 -5.7805 -5.7805 -5.7805 -5.7805 -5.4856 -5.4856 -5.4856 -5.4856 -3.7895 -3.7895 -3.7895 -3.7895 -3.3878 -3.3878 -3.3878 -3.3878 -3.3410 -3.3410 -3.3410 -3.3410 -3.1237 -3.1237 -3.1237 -3.1237 3.9829 3.9829 3.9829 3.9829 4.4007 4.4007 4.4007 4.4007 5.7485 5.7485 5.7485 5.7485 k = 0.0000 0.0000 0.5029 ( 11284 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9026 -24.9026 -24.9026 -24.9026 -9.3939 -9.3939 -9.3939 -9.3939 -9.2084 -9.2084 -9.2084 -9.2084 -6.5626 -6.5626 -6.5626 -6.5626 -6.4819 -6.4819 -6.4819 -6.4819 -6.1125 -6.1125 -6.1125 -6.1125 -5.8618 -5.8618 -5.8618 -5.8618 -5.7805 -5.7805 -5.7805 -5.7805 -5.4856 -5.4856 -5.4856 -5.4856 -3.7895 -3.7895 -3.7895 -3.7895 -3.3878 -3.3878 -3.3878 -3.3878 -3.3410 -3.3410 -3.3410 -3.3410 -3.1237 -3.1237 -3.1237 -3.1237 3.9829 3.9829 3.9829 3.9829 4.4007 4.4007 4.4007 4.4007 5.7485 5.7485 5.7485 5.7485 k = 0.0000 0.0244 0.5029 ( 11292 PWs) bands (ev): -24.9761 -24.9761 -24.9758 -24.9758 -24.9028 -24.9028 -24.9025 -24.9025 -9.4081 -9.4081 -9.3793 -9.3793 -9.2176 -9.2176 -9.1987 -9.1987 -6.5681 -6.5681 -6.5582 -6.5582 -6.4961 -6.4961 -6.4664 -6.4664 -6.1260 -6.1260 -6.0987 -6.0987 -5.8681 -5.8681 -5.8567 -5.8567 -5.7867 -5.7867 -5.7744 -5.7744 -5.4885 -5.4885 -5.4828 -5.4828 -3.7968 -3.7968 -3.7821 -3.7821 -3.3926 -3.3926 -3.3835 -3.3835 -3.3482 -3.3482 -3.3343 -3.3343 -3.1260 -3.1260 -3.1225 -3.1225 3.9379 3.9379 4.0284 4.0284 4.3804 4.3804 4.4223 4.4223 5.7435 5.7435 5.7486 5.7486 k = 0.0000 0.0488 0.5029 ( 11303 PWs) bands (ev): -24.9763 -24.9763 -24.9757 -24.9757 -24.9029 -24.9029 -24.9023 -24.9023 -9.4218 -9.4218 -9.3644 -9.3644 -9.2265 -9.2265 -9.1886 -9.1886 -6.5750 -6.5750 -6.5545 -6.5545 -6.5086 -6.5086 -6.4500 -6.4500 -6.1392 -6.1392 -6.0846 -6.0846 -5.8758 -5.8758 -5.8529 -5.8529 -5.7928 -5.7928 -5.7684 -5.7684 -5.4916 -5.4916 -5.4800 -5.4800 -3.8040 -3.8040 -3.7748 -3.7748 -3.3979 -3.3979 -3.3800 -3.3800 -3.3555 -3.3555 -3.3281 -3.3281 -3.1294 -3.1294 -3.1224 -3.1224 3.8937 3.8937 4.0740 4.0740 4.3616 4.3616 4.4452 4.4452 5.7348 5.7348 5.7423 5.7423 k = 0.0000 0.0732 0.5029 ( 11303 PWs) bands (ev): -24.9764 -24.9764 -24.9755 -24.9755 -24.9031 -24.9031 -24.9021 -24.9021 -9.4350 -9.4350 -9.3490 -9.3490 -9.2349 -9.2349 -9.1781 -9.1781 -6.5836 -6.5836 -6.5512 -6.5512 -6.5191 -6.5191 -6.4328 -6.4328 -6.1519 -6.1519 -6.0703 -6.0703 -5.8850 -5.8850 -5.8502 -5.8502 -5.7990 -5.7990 -5.7627 -5.7627 -5.4947 -5.4947 -5.4774 -5.4774 -3.8112 -3.8112 -3.7674 -3.7674 -3.4035 -3.4035 -3.3780 -3.3780 -3.3623 -3.3623 -3.3225 -3.3225 -3.1339 -3.1339 -3.1233 -3.1233 3.8509 3.8509 4.1192 4.1192 4.3445 4.3445 4.4691 4.4691 5.7234 5.7234 5.7280 5.7280 k = 0.0000 0.0976 0.5029 ( 11318 PWs) bands (ev): -24.9766 -24.9766 -24.9753 -24.9753 -24.9032 -24.9032 -24.9020 -24.9020 -9.4479 -9.4479 -9.3333 -9.3333 -9.2430 -9.2430 -9.1672 -9.1672 -6.5939 -6.5939 -6.5482 -6.5482 -6.5275 -6.5275 -6.4152 -6.4152 -6.1641 -6.1641 -6.0559 -6.0559 -5.8956 -5.8956 -5.8484 -5.8484 -5.8051 -5.8051 -5.7572 -5.7572 -5.4979 -5.4979 -5.4749 -5.4749 -3.8181 -3.8181 -3.7602 -3.7602 -3.4093 -3.4093 -3.3799 -3.3799 -3.3662 -3.3662 -3.3175 -3.3175 -3.1393 -3.1393 -3.1252 -3.1252 3.8096 3.8096 4.1634 4.1634 4.3290 4.3290 4.4939 4.4939 5.7044 5.7044 5.7099 5.7099 k = 0.0000 0.1220 0.5029 ( 11324 PWs) bands (ev): -24.9767 -24.9767 -24.9751 -24.9751 -24.9034 -24.9034 -24.9018 -24.9018 -9.4602 -9.4602 -9.3173 -9.3173 -9.2506 -9.2506 -9.1560 -9.1560 -6.6058 -6.6058 -6.5455 -6.5455 -6.5340 -6.5340 -6.3973 -6.3973 -6.1758 -6.1758 -6.0414 -6.0414 -5.9076 -5.9076 -5.8474 -5.8474 -5.8112 -5.8112 -5.7520 -5.7520 -5.5012 -5.5012 -5.4724 -5.4724 -3.8249 -3.8249 -3.7532 -3.7532 -3.4155 -3.4155 -3.3865 -3.3865 -3.3663 -3.3663 -3.3132 -3.3132 -3.1456 -3.1456 -3.1280 -3.1280 3.7701 3.7701 4.2063 4.2063 4.3154 4.3154 4.5194 4.5194 5.6711 5.6711 5.6949 5.6949 k = 0.0000 0.1464 0.5029 ( 11325 PWs) bands (ev): -24.9768 -24.9768 -24.9749 -24.9749 -24.9035 -24.9035 -24.9016 -24.9016 -9.4721 -9.4721 -9.3010 -9.3010 -9.2579 -9.2579 -9.1443 -9.1443 -6.6186 -6.6186 -6.5437 -6.5437 -6.5384 -6.5384 -6.3791 -6.3791 -6.1870 -6.1870 -6.0269 -6.0269 -5.9209 -5.9209 -5.8470 -5.8470 -5.8174 -5.8174 -5.7473 -5.7473 -5.5045 -5.5045 -5.4702 -5.4702 -3.8316 -3.8316 -3.7464 -3.7464 -3.4218 -3.4218 -3.3950 -3.3950 -3.3654 -3.3654 -3.3097 -3.3097 -3.1528 -3.1528 -3.1317 -3.1317 3.7328 3.7328 4.2474 4.2474 4.3036 4.3036 4.5454 4.5454 5.6285 5.6285 5.6792 5.6792 k = 0.0000 0.1709 0.5029 ( 11333 PWs) bands (ev): -24.9769 -24.9769 -24.9747 -24.9747 -24.9036 -24.9036 -24.9014 -24.9014 -9.4835 -9.4835 -9.2845 -9.2845 -9.2647 -9.2647 -9.1323 -9.1323 -6.6321 -6.6321 -6.5457 -6.5457 -6.5381 -6.5381 -6.3609 -6.3609 -6.1975 -6.1975 -6.0126 -6.0126 -5.9354 -5.9354 -5.8472 -5.8472 -5.8236 -5.8236 -5.7430 -5.7430 -5.5079 -5.5079 -5.4680 -5.4680 -3.8380 -3.8380 -3.7399 -3.7399 -3.4284 -3.4284 -3.4042 -3.4042 -3.3647 -3.3647 -3.3069 -3.3069 -3.1606 -3.1606 -3.1361 -3.1361 3.6977 3.6977 4.2864 4.2864 4.2937 4.2937 4.5716 4.5716 5.5781 5.5781 5.6632 5.6632 k = 0.0000 0.1953 0.5029 ( 11330 PWs) bands (ev): -24.9770 -24.9770 -24.9745 -24.9745 -24.9038 -24.9038 -24.9012 -24.9012 -9.4945 -9.4945 -9.2712 -9.2712 -9.2677 -9.2677 -9.1199 -9.1199 -6.6457 -6.6457 -6.5494 -6.5494 -6.5356 -6.5356 -6.3426 -6.3426 -6.2075 -6.2075 -5.9984 -5.9984 -5.9510 -5.9510 -5.8478 -5.8478 -5.8300 -5.8300 -5.7391 -5.7391 -5.5113 -5.5113 -5.4659 -5.4659 -3.8442 -3.8442 -3.7339 -3.7339 -3.4351 -3.4351 -3.4136 -3.4136 -3.3645 -3.3645 -3.3050 -3.3050 -3.1689 -3.1689 -3.1410 -3.1410 3.6650 3.6650 4.2855 4.2855 4.3231 4.3231 4.5977 4.5977 5.5219 5.5219 5.6475 5.6475 k = 0.0000 0.2197 0.5029 ( 11337 PWs) bands (ev): -24.9771 -24.9771 -24.9743 -24.9743 -24.9039 -24.9039 -24.9010 -24.9010 -9.5050 -9.5050 -9.2774 -9.2774 -9.2508 -9.2508 -9.1072 -9.1072 -6.6594 -6.6594 -6.5531 -6.5531 -6.5326 -6.5326 -6.3244 -6.3244 -6.2168 -6.2168 -5.9846 -5.9846 -5.9674 -5.9674 -5.8487 -5.8487 -5.8364 -5.8364 -5.7356 -5.7356 -5.5147 -5.5147 -5.4640 -5.4640 -3.8501 -3.8501 -3.7284 -3.7284 -3.4421 -3.4421 -3.4229 -3.4229 -3.3650 -3.3650 -3.3039 -3.3039 -3.1777 -3.1777 -3.1464 -3.1464 3.6348 3.6348 4.2792 4.2792 4.3574 4.3574 4.6235 4.6235 5.4619 5.4619 5.6325 5.6325 k = 0.0000 0.2441 0.5029 ( 11335 PWs) bands (ev): -24.9772 -24.9772 -24.9741 -24.9741 -24.9040 -24.9040 -24.9008 -24.9008 -9.5150 -9.5150 -9.2831 -9.2831 -9.2337 -9.2337 -9.0941 -9.0941 -6.6729 -6.6729 -6.5569 -6.5569 -6.5295 -6.5295 -6.3063 -6.3063 -6.2255 -6.2255 -5.9857 -5.9857 -5.9703 -5.9703 -5.8499 -5.8499 -5.8427 -5.8427 -5.7325 -5.7325 -5.5182 -5.5182 -5.4622 -5.4622 -3.8558 -3.8558 -3.7237 -3.7237 -3.4494 -3.4494 -3.4319 -3.4319 -3.3663 -3.3663 -3.3038 -3.3038 -3.1866 -3.1866 -3.1521 -3.1521 3.6071 3.6071 4.2746 4.2746 4.3893 4.3893 4.6487 4.6487 5.3997 5.3997 5.6186 5.6186 k = 0.0000 0.2685 0.5029 ( 11329 PWs) bands (ev): -24.9773 -24.9773 -24.9738 -24.9738 -24.9041 -24.9041 -24.9006 -24.9006 -9.5246 -9.5246 -9.2886 -9.2886 -9.2166 -9.2166 -9.0807 -9.0807 -6.6862 -6.6862 -6.5606 -6.5606 -6.5261 -6.5261 -6.2887 -6.2887 -6.2335 -6.2335 -6.0038 -6.0038 -5.9574 -5.9574 -5.8524 -5.8524 -5.8478 -5.8478 -5.7298 -5.7298 -5.5217 -5.5217 -5.4605 -5.4605 -3.8613 -3.8613 -3.7197 -3.7197 -3.4569 -3.4569 -3.4405 -3.4405 -3.3684 -3.3684 -3.3047 -3.3047 -3.1955 -3.1955 -3.1579 -3.1579 3.5820 3.5820 4.2717 4.2717 4.4189 4.4189 4.6729 4.6729 5.3368 5.3368 5.6060 5.6060 k = 0.0000 0.2929 0.5029 ( 11345 PWs) bands (ev): -24.9774 -24.9774 -24.9736 -24.9736 -24.9042 -24.9042 -24.9005 -24.9005 -9.5337 -9.5337 -9.2937 -9.2937 -9.1995 -9.1995 -9.0671 -9.0671 -6.6991 -6.6991 -6.5645 -6.5645 -6.5227 -6.5227 -6.2719 -6.2719 -6.2404 -6.2404 -6.0228 -6.0228 -5.9450 -5.9450 -5.8580 -5.8580 -5.8497 -5.8497 -5.7275 -5.7275 -5.5253 -5.5253 -5.4590 -5.4590 -3.8665 -3.8665 -3.7167 -3.7167 -3.4649 -3.4649 -3.4485 -3.4485 -3.3712 -3.3712 -3.3066 -3.3066 -3.2043 -3.2043 -3.1637 -3.1637 3.5594 3.5594 4.2702 4.2702 4.4462 4.4462 4.6961 4.6961 5.2742 5.2742 5.5954 5.5954 k = 0.0000 0.3173 0.5029 ( 11337 PWs) bands (ev): -24.9775 -24.9775 -24.9734 -24.9734 -24.9043 -24.9043 -24.9003 -24.9003 -9.5424 -9.5424 -9.2986 -9.2986 -9.1825 -9.1825 -9.0532 -9.0532 -6.7115 -6.7115 -6.5684 -6.5684 -6.5191 -6.5191 -6.2589 -6.2589 -6.2435 -6.2435 -6.0424 -6.0424 -5.9334 -5.9334 -5.8647 -5.8647 -5.8499 -5.8499 -5.7255 -5.7255 -5.5288 -5.5288 -5.4575 -5.4575 -3.8715 -3.8715 -3.7148 -3.7148 -3.4731 -3.4731 -3.4558 -3.4558 -3.3745 -3.3745 -3.3096 -3.3096 -3.2129 -3.2129 -3.1693 -3.1693 3.5394 3.5394 4.2699 4.2699 4.4714 4.4714 4.7182 4.7182 5.2128 5.2128 5.5868 5.5868 k = 0.0000 0.3417 0.5029 ( 11337 PWs) bands (ev): -24.9775 -24.9775 -24.9732 -24.9732 -24.9044 -24.9044 -24.9001 -24.9001 -9.5507 -9.5507 -9.3031 -9.3031 -9.1656 -9.1656 -9.0391 -9.0391 -6.7236 -6.7236 -6.5725 -6.5725 -6.5154 -6.5154 -6.2591 -6.2591 -6.2335 -6.2335 -6.0624 -6.0624 -5.9228 -5.9228 -5.8716 -5.8716 -5.8492 -5.8492 -5.7238 -5.7238 -5.5324 -5.5324 -5.4562 -5.4562 -3.8761 -3.8761 -3.7141 -3.7141 -3.4814 -3.4814 -3.4626 -3.4626 -3.3783 -3.3783 -3.3136 -3.3136 -3.2210 -3.2210 -3.1746 -3.1746 3.5218 3.5218 4.2708 4.2708 4.4946 4.4946 4.7392 4.7392 5.1531 5.1531 5.5807 5.5807 k = 0.0000 0.3661 0.5029 ( 11344 PWs) bands (ev): -24.9776 -24.9776 -24.9730 -24.9730 -24.9045 -24.9045 -24.8999 -24.8999 -9.5586 -9.5586 -9.3074 -9.3074 -9.1488 -9.1488 -9.0248 -9.0248 -6.7351 -6.7351 -6.5768 -6.5768 -6.5116 -6.5116 -6.2645 -6.2645 -6.2186 -6.2186 -6.0826 -6.0826 -5.9136 -5.9136 -5.8784 -5.8784 -5.8472 -5.8472 -5.7224 -5.7224 -5.5359 -5.5359 -5.4550 -5.4550 -3.8806 -3.8806 -3.7146 -3.7146 -3.4899 -3.4899 -3.4688 -3.4688 -3.3822 -3.3822 -3.3187 -3.3187 -3.2287 -3.2287 -3.1794 -3.1794 3.5065 3.5065 4.2725 4.2725 4.5157 4.5157 4.7594 4.7594 5.0957 5.0957 5.5774 5.5774 k = 0.0000 0.3905 0.5029 ( 11340 PWs) bands (ev): -24.9777 -24.9777 -24.9727 -24.9727 -24.9046 -24.9046 -24.8997 -24.8997 -9.5660 -9.5660 -9.3114 -9.3114 -9.1323 -9.1323 -9.0104 -9.0104 -6.7462 -6.7462 -6.5812 -6.5812 -6.5076 -6.5076 -6.2704 -6.2704 -6.2036 -6.2036 -6.1030 -6.1030 -5.9059 -5.9059 -5.8850 -5.8850 -5.8439 -5.8439 -5.7212 -5.7212 -5.5395 -5.5395 -5.4539 -5.4539 -3.8847 -3.8847 -3.7165 -3.7165 -3.4984 -3.4984 -3.4746 -3.4746 -3.3861 -3.3861 -3.3247 -3.3247 -3.2359 -3.2359 -3.1838 -3.1838 3.4934 3.4934 4.2747 4.2747 4.5345 4.5345 4.7792 4.7792 5.0410 5.0410 5.5768 5.5768 k = 0.0000 0.4149 0.5029 ( 11350 PWs) bands (ev): -24.9777 -24.9777 -24.9725 -24.9725 -24.9047 -24.9047 -24.8995 -24.8995 -9.5731 -9.5731 -9.3152 -9.3152 -9.1161 -9.1161 -8.9958 -8.9958 -6.7567 -6.7567 -6.5858 -6.5858 -6.5037 -6.5037 -6.2764 -6.2764 -6.1894 -6.1894 -6.1232 -6.1232 -5.9004 -5.9004 -5.8907 -5.8907 -5.8392 -5.8392 -5.7201 -5.7201 -5.5431 -5.5431 -5.4529 -5.4529 -3.8886 -3.8886 -3.7197 -3.7197 -3.5071 -3.5071 -3.4800 -3.4800 -3.3895 -3.3895 -3.3316 -3.3316 -3.2426 -3.2426 -3.1878 -3.1878 3.4823 3.4823 4.2772 4.2772 4.5508 4.5508 4.7992 4.7992 4.9892 4.9892 5.5793 5.5793 k = 0.0000 0.4393 0.5029 ( 11352 PWs) bands (ev): -24.9778 -24.9778 -24.9723 -24.9723 -24.9048 -24.9048 -24.8993 -24.8993 -9.5797 -9.5797 -9.3188 -9.3188 -9.1002 -9.1002 -8.9813 -8.9813 -6.7668 -6.7668 -6.5906 -6.5906 -6.4996 -6.4996 -6.2824 -6.2824 -6.1764 -6.1764 -6.1428 -6.1428 -5.9008 -5.9008 -5.8912 -5.8912 -5.8333 -5.8333 -5.7192 -5.7192 -5.5467 -5.5467 -5.4519 -5.4519 -3.8923 -3.8923 -3.7240 -3.7240 -3.5160 -3.5160 -3.4850 -3.4850 -3.3923 -3.3923 -3.3393 -3.3393 -3.2489 -3.2489 -3.1912 -3.1912 3.4731 3.4731 4.2797 4.2797 4.5644 4.5644 4.8200 4.8200 4.9406 4.9406 5.5846 5.5846 k = 0.0000 0.4637 0.5029 ( 11345 PWs) bands (ev): -24.9778 -24.9778 -24.9721 -24.9721 -24.9048 -24.9048 -24.8992 -24.8992 -9.5860 -9.5860 -9.3222 -9.3222 -9.0848 -9.0848 -8.9667 -8.9667 -6.7764 -6.7764 -6.5955 -6.5955 -6.4956 -6.4956 -6.2886 -6.2886 -6.1681 -6.1681 -6.1583 -6.1583 -5.9060 -5.9060 -5.8873 -5.8873 -5.8265 -5.8265 -5.7183 -5.7183 -5.5504 -5.5504 -5.4511 -5.4511 -3.8956 -3.8956 -3.7294 -3.7294 -3.5252 -3.5252 -3.4896 -3.4896 -3.3942 -3.3942 -3.3476 -3.3476 -3.2547 -3.2547 -3.1942 -3.1942 3.4655 3.4655 4.2817 4.2817 4.5750 4.5750 4.8422 4.8422 4.8956 4.8956 5.5927 5.5927 k = 0.0000 0.4881 0.5029 ( 11340 PWs) bands (ev): -24.9779 -24.9779 -24.9719 -24.9719 -24.9049 -24.9049 -24.8990 -24.8990 -9.5920 -9.5920 -9.3254 -9.3254 -9.0698 -9.0698 -8.9523 -8.9523 -6.7855 -6.7855 -6.6006 -6.6006 -6.4916 -6.4916 -6.2950 -6.2950 -6.1828 -6.1828 -6.1512 -6.1512 -5.9115 -5.9115 -5.8828 -5.8828 -5.8193 -5.8193 -5.7175 -5.7175 -5.5541 -5.5541 -5.4502 -5.4502 -3.8988 -3.8988 -3.7358 -3.7358 -3.5347 -3.5347 -3.4937 -3.4937 -3.3952 -3.3952 -3.3562 -3.3562 -3.2601 -3.2601 -3.1969 -3.1969 3.4592 3.4592 4.2830 4.2830 4.5825 4.5825 4.8537 4.8537 4.8669 4.8669 5.5614 5.5614 k = 0.0000 0.5126 0.5029 ( 11341 PWs) bands (ev): -24.9779 -24.9779 -24.9717 -24.9717 -24.9050 -24.9050 -24.8988 -24.8988 -9.5976 -9.5976 -9.3285 -9.3285 -9.0553 -9.0553 -8.9380 -8.9380 -6.7943 -6.7943 -6.6058 -6.6058 -6.4877 -6.4877 -6.3016 -6.3016 -6.2002 -6.2002 -6.1417 -6.1417 -5.9168 -5.9168 -5.8779 -5.8779 -5.8119 -5.8119 -5.7166 -5.7166 -5.5579 -5.5579 -5.4495 -5.4495 -3.9017 -3.9017 -3.7427 -3.7427 -3.5445 -3.5445 -3.4973 -3.4973 -3.3953 -3.3953 -3.3651 -3.3651 -3.2651 -3.2651 -3.1992 -3.1992 3.4541 3.4541 4.2833 4.2833 4.5870 4.5870 4.8160 4.8160 4.8935 4.8935 5.5120 5.5120 k = 0.0000 0.5370 0.5029 ( 11346 PWs) bands (ev): -24.9780 -24.9780 -24.9715 -24.9715 -24.9051 -24.9051 -24.8986 -24.8986 -9.6028 -9.6028 -9.3314 -9.3314 -9.0414 -9.0414 -8.9240 -8.9240 -6.8026 -6.8026 -6.6113 -6.6113 -6.4840 -6.4840 -6.3087 -6.3087 -6.2165 -6.2165 -6.1332 -6.1332 -5.9216 -5.9216 -5.8723 -5.8723 -5.8048 -5.8048 -5.7157 -5.7157 -5.5617 -5.5617 -5.4488 -5.4488 -3.9043 -3.9043 -3.7502 -3.7502 -3.5545 -3.5545 -3.5003 -3.5003 -3.3949 -3.3949 -3.3739 -3.3739 -3.2698 -3.2698 -3.2012 -3.2012 3.4499 3.4499 4.2824 4.2824 4.5887 4.5887 4.7818 4.7818 4.9229 4.9229 5.4656 5.4656 k = 0.0000 0.5614 0.5029 ( 11339 PWs) bands (ev): -24.9780 -24.9780 -24.9713 -24.9713 -24.9051 -24.9051 -24.8985 -24.8985 -9.6078 -9.6078 -9.3342 -9.3342 -9.0280 -9.0280 -8.9104 -8.9104 -6.8107 -6.8107 -6.6169 -6.6169 -6.4804 -6.4804 -6.3163 -6.3163 -6.2314 -6.2314 -6.1258 -6.1258 -5.9260 -5.9260 -5.8660 -5.8660 -5.7979 -5.7979 -5.7147 -5.7147 -5.5656 -5.5656 -5.4481 -5.4481 -3.9067 -3.9067 -3.7579 -3.7579 -3.5645 -3.5645 -3.5028 -3.5028 -3.3946 -3.3946 -3.3820 -3.3820 -3.2740 -3.2740 -3.2030 -3.2030 3.4462 3.4462 4.2800 4.2800 4.5879 4.5879 4.7513 4.7513 4.9550 4.9550 5.4226 5.4226 k = 0.0000 0.5858 0.5029 ( 11344 PWs) bands (ev): -24.9781 -24.9781 -24.9711 -24.9711 -24.9052 -24.9052 -24.8983 -24.8983 -9.6124 -9.6124 -9.3369 -9.3369 -9.0153 -9.0153 -8.8972 -8.8972 -6.8185 -6.8185 -6.6227 -6.6227 -6.4770 -6.4770 -6.3242 -6.3242 -6.2446 -6.2446 -6.1197 -6.1197 -5.9298 -5.9298 -5.8590 -5.8590 -5.7915 -5.7915 -5.7136 -5.7136 -5.5697 -5.5697 -5.4474 -5.4474 -3.9088 -3.9088 -3.7657 -3.7657 -3.5743 -3.5743 -3.5048 -3.5048 -3.3973 -3.3973 -3.3865 -3.3865 -3.2777 -3.2777 -3.2045 -3.2045 3.4427 3.4427 4.2762 4.2762 4.5852 4.5852 4.7242 4.7242 4.9898 4.9898 5.3832 5.3832 k = 0.0000 0.6102 0.5029 ( 11342 PWs) bands (ev): -24.9781 -24.9781 -24.9709 -24.9709 -24.9053 -24.9053 -24.8982 -24.8982 -9.6168 -9.6168 -9.3395 -9.3395 -9.0032 -9.0032 -8.8846 -8.8846 -6.8261 -6.8261 -6.6287 -6.6287 -6.4739 -6.4739 -6.3325 -6.3325 -6.2560 -6.2560 -6.1146 -6.1146 -5.9331 -5.9331 -5.8513 -5.8513 -5.7856 -5.7856 -5.7123 -5.7123 -5.5738 -5.5738 -5.4467 -5.4467 -3.9107 -3.9107 -3.7733 -3.7733 -3.5838 -3.5838 -3.5063 -3.5063 -3.4043 -3.4043 -3.3865 -3.3865 -3.2807 -3.2807 -3.2059 -3.2059 3.4392 3.4392 4.2710 4.2710 4.5810 4.5810 4.7003 4.7003 5.0270 5.0270 5.3478 5.3478 k = 0.0000 0.6346 0.5029 ( 11341 PWs) bands (ev): -24.9782 -24.9782 -24.9708 -24.9708 -24.9053 -24.9053 -24.8981 -24.8981 -9.6209 -9.6209 -9.3421 -9.3421 -8.9918 -8.9918 -8.8725 -8.8725 -6.8337 -6.8337 -6.6349 -6.6349 -6.4712 -6.4712 -6.3408 -6.3408 -6.2656 -6.2656 -6.1103 -6.1103 -5.9358 -5.9358 -5.8429 -5.8429 -5.7802 -5.7802 -5.7110 -5.7110 -5.5780 -5.5780 -5.4459 -5.4459 -3.9124 -3.9124 -3.7807 -3.7807 -3.5926 -3.5926 -3.5072 -3.5072 -3.4124 -3.4124 -3.3852 -3.3852 -3.2831 -3.2831 -3.2071 -3.2071 3.4353 3.4353 4.2645 4.2645 4.5757 4.5757 4.6795 4.6795 5.0665 5.0665 5.3165 5.3165 k = 0.0000 0.6590 0.5029 ( 11332 PWs) bands (ev): -24.9782 -24.9782 -24.9706 -24.9706 -24.9054 -24.9054 -24.8979 -24.8979 -9.6247 -9.6247 -9.3446 -9.3446 -8.9810 -8.9810 -8.8613 -8.8613 -6.8412 -6.8412 -6.6413 -6.6413 -6.4689 -6.4689 -6.3488 -6.3488 -6.2734 -6.2734 -6.1068 -6.1068 -5.9380 -5.9380 -5.8341 -5.8341 -5.7753 -5.7753 -5.7096 -5.7096 -5.5824 -5.5824 -5.4452 -5.4452 -3.9139 -3.9139 -3.7876 -3.7876 -3.6008 -3.6008 -3.5076 -3.5076 -3.4205 -3.4205 -3.3841 -3.3841 -3.2846 -3.2846 -3.2082 -3.2082 3.4309 3.4309 4.2569 4.2569 4.5698 4.5698 4.6615 4.6615 5.1081 5.1081 5.2895 5.2895 k = 0.0000 0.6834 0.5029 ( 11338 PWs) bands (ev): -24.9783 -24.9783 -24.9705 -24.9705 -24.9054 -24.9054 -24.8978 -24.8978 -9.6282 -9.6282 -9.3470 -9.3470 -8.9710 -8.9710 -8.8509 -8.8509 -6.8488 -6.8488 -6.6478 -6.6478 -6.4671 -6.4671 -6.3562 -6.3562 -6.2798 -6.2798 -6.1038 -6.1038 -5.9396 -5.9396 -5.8250 -5.8250 -5.7708 -5.7708 -5.7082 -5.7082 -5.5868 -5.5868 -5.4443 -5.4443 -3.9151 -3.9151 -3.7940 -3.7940 -3.6081 -3.6081 -3.5075 -3.5075 -3.4281 -3.4281 -3.3836 -3.3836 -3.2851 -3.2851 -3.2090 -3.2090 3.4255 3.4255 4.2484 4.2484 4.5636 4.5636 4.6459 4.6459 5.1515 5.1515 5.2669 5.2669 k = 0.0000 0.7078 0.5029 ( 11342 PWs) bands (ev): -24.9783 -24.9783 -24.9704 -24.9704 -24.9055 -24.9055 -24.8977 -24.8977 -9.6315 -9.6315 -9.3494 -9.3494 -8.9618 -8.9618 -8.8414 -8.8414 -6.8565 -6.8565 -6.6545 -6.6545 -6.4658 -6.4658 -6.3625 -6.3625 -6.2848 -6.2848 -6.1011 -6.1011 -5.9408 -5.9408 -5.8158 -5.8158 -5.7667 -5.7667 -5.7069 -5.7069 -5.5912 -5.5912 -5.4435 -5.4435 -3.9162 -3.9162 -3.7997 -3.7997 -3.6143 -3.6143 -3.5070 -3.5070 -3.4352 -3.4352 -3.3839 -3.3839 -3.2846 -3.2846 -3.2098 -3.2098 3.4190 3.4190 4.2393 4.2393 4.5574 4.5574 4.6327 4.6327 5.1964 5.1964 5.2488 5.2488 k = 0.0000 0.7322 0.5029 ( 11350 PWs) bands (ev): -24.9784 -24.9784 -24.9702 -24.9702 -24.9056 -24.9056 -24.8976 -24.8976 -9.6345 -9.6345 -9.3518 -9.3518 -8.9532 -8.9532 -8.8329 -8.8329 -6.8644 -6.8644 -6.6612 -6.6612 -6.4651 -6.4651 -6.3675 -6.3675 -6.2886 -6.2886 -6.0985 -6.0985 -5.9415 -5.9415 -5.8068 -5.8068 -5.7628 -5.7628 -5.7058 -5.7058 -5.5957 -5.5957 -5.4425 -5.4425 -3.9170 -3.9170 -3.8047 -3.8047 -3.6195 -3.6195 -3.5060 -3.5060 -3.4417 -3.4417 -3.3852 -3.3852 -3.2830 -3.2830 -3.2104 -3.2104 3.4113 3.4113 4.2298 4.2298 4.5515 4.5515 4.6218 4.6218 5.2343 5.2343 5.2436 5.2436 k = 0.0000 0.7566 0.5029 ( 11350 PWs) bands (ev): -24.9785 -24.9785 -24.9701 -24.9701 -24.9056 -24.9056 -24.8975 -24.8975 -9.6373 -9.6373 -9.3542 -9.3542 -8.9455 -8.9455 -8.8255 -8.8255 -6.8724 -6.8724 -6.6681 -6.6681 -6.4649 -6.4649 -6.3709 -6.3709 -6.2914 -6.2914 -6.0959 -6.0959 -5.9417 -5.9417 -5.7981 -5.7981 -5.7589 -5.7589 -5.7050 -5.7050 -5.6001 -5.6001 -5.4415 -5.4415 -3.9177 -3.9177 -3.8088 -3.8088 -3.6235 -3.6235 -3.5047 -3.5047 -3.4473 -3.4473 -3.3875 -3.3875 -3.2805 -3.2805 -3.2108 -3.2108 3.4022 3.4022 4.2199 4.2199 4.5461 4.5461 4.6130 4.6130 5.2260 5.2260 5.2902 5.2902 k = 0.0000 0.7810 0.5029 ( 11357 PWs) bands (ev): -24.9785 -24.9785 -24.9700 -24.9700 -24.9057 -24.9057 -24.8974 -24.8974 -9.6398 -9.6398 -9.3565 -9.3565 -8.9385 -8.9385 -8.8192 -8.8192 -6.8807 -6.8807 -6.6749 -6.6749 -6.4654 -6.4654 -6.3727 -6.3727 -6.2931 -6.2931 -6.0932 -6.0932 -5.9416 -5.9416 -5.7900 -5.7900 -5.7550 -5.7550 -5.7047 -5.7047 -5.6043 -5.6043 -5.4403 -5.4403 -3.9181 -3.9181 -3.8121 -3.8121 -3.6263 -3.6263 -3.5032 -3.5032 -3.4519 -3.4519 -3.3906 -3.3906 -3.2771 -3.2771 -3.2110 -3.2110 3.3917 3.3917 4.2097 4.2097 4.5413 4.5413 4.6066 4.6066 5.2216 5.2216 5.3380 5.3380 k = 0.0000 0.7810 0.5029 ( 11357 PWs) bands (ev): -24.9785 -24.9785 -24.9700 -24.9700 -24.9057 -24.9057 -24.8974 -24.8974 -9.6398 -9.6398 -9.3565 -9.3565 -8.9385 -8.9385 -8.8192 -8.8192 -6.8807 -6.8807 -6.6749 -6.6749 -6.4654 -6.4654 -6.3727 -6.3727 -6.2931 -6.2931 -6.0932 -6.0932 -5.9416 -5.9416 -5.7900 -5.7900 -5.7550 -5.7550 -5.7047 -5.7047 -5.6043 -5.6043 -5.4403 -5.4403 -3.9181 -3.9181 -3.8121 -3.8121 -3.6263 -3.6263 -3.5032 -3.5032 -3.4519 -3.4519 -3.3906 -3.3906 -3.2771 -3.2771 -3.2110 -3.2110 3.3917 3.3917 4.2097 4.2097 4.5413 4.5413 4.6066 4.6066 5.2216 5.2216 5.3380 5.3380 k = 0.0000 0.7838 0.4789 ( 11360 PWs) bands (ev): -24.9784 -24.9784 -24.9702 -24.9702 -24.9056 -24.9056 -24.8976 -24.8976 -9.6326 -9.6326 -9.3498 -9.3498 -8.9550 -8.9550 -8.8269 -8.8269 -6.8643 -6.8643 -6.6594 -6.6594 -6.4628 -6.4628 -6.3690 -6.3690 -6.2919 -6.2919 -6.1019 -6.1019 -5.9408 -5.9408 -5.8045 -5.8045 -5.7654 -5.7654 -5.7049 -5.7049 -5.6024 -5.6024 -5.4434 -5.4434 -3.9138 -3.9138 -3.8092 -3.8092 -3.6241 -3.6241 -3.5065 -3.5065 -3.4518 -3.4518 -3.3983 -3.3983 -3.2720 -3.2720 -3.2110 -3.2110 3.4115 3.4115 4.2250 4.2250 4.5457 4.5457 4.6157 4.6157 5.2251 5.2251 5.2757 5.2757 k = 0.0000 0.7865 0.4548 ( 11362 PWs) bands (ev): -24.9782 -24.9782 -24.9703 -24.9703 -24.9054 -24.9054 -24.8977 -24.8977 -9.6241 -9.6241 -9.3420 -9.3420 -8.9736 -8.9736 -8.8362 -8.8362 -6.8456 -6.8456 -6.6419 -6.6419 -6.4599 -6.4599 -6.3642 -6.3642 -6.2902 -6.2902 -6.1121 -6.1121 -5.9397 -5.9397 -5.8204 -5.8204 -5.7773 -5.7773 -5.7064 -5.7064 -5.6004 -5.6004 -5.4470 -5.4470 -3.9087 -3.9087 -3.8059 -3.8059 -3.6214 -3.6214 -3.5102 -3.5102 -3.4521 -3.4521 -3.4074 -3.4074 -3.2661 -3.2661 -3.2110 -3.2110 3.4337 3.4337 4.2424 4.2424 4.5501 4.5501 4.6266 4.6266 5.2108 5.2108 5.2309 5.2309 k = 0.0000 0.7892 0.4308 ( 11360 PWs) bands (ev): -24.9781 -24.9781 -24.9705 -24.9705 -24.9053 -24.9053 -24.8979 -24.8979 -9.6142 -9.6142 -9.3330 -9.3330 -8.9941 -8.9941 -8.8472 -8.8472 -6.8249 -6.8249 -6.6226 -6.6226 -6.4568 -6.4568 -6.3582 -6.3582 -6.2878 -6.2878 -6.1238 -6.1238 -5.9380 -5.9380 -5.8376 -5.8376 -5.7906 -5.7906 -5.7092 -5.7092 -5.5982 -5.5982 -5.4510 -5.4510 -3.9027 -3.9027 -3.8022 -3.8022 -3.6183 -3.6183 -3.5144 -3.5144 -3.4528 -3.4528 -3.4171 -3.4171 -3.2598 -3.2598 -3.2108 -3.2108 3.4584 3.4584 4.2617 4.2617 4.5541 4.5541 4.6391 4.6391 5.1456 5.1456 5.2376 5.2376 k = 0.0000 0.7920 0.4067 ( 11356 PWs) bands (ev): -24.9779 -24.9779 -24.9707 -24.9707 -24.9051 -24.9051 -24.8980 -24.8980 -9.6030 -9.6030 -9.3228 -9.3228 -9.0161 -9.0161 -8.8598 -8.8598 -6.8022 -6.8022 -6.6019 -6.6019 -6.4536 -6.4536 -6.3512 -6.3512 -6.2848 -6.2848 -6.1370 -6.1370 -5.9358 -5.9358 -5.8560 -5.8560 -5.8054 -5.8054 -5.7133 -5.7133 -5.5959 -5.5959 -5.4554 -5.4554 -3.8959 -3.8959 -3.7982 -3.7982 -3.6147 -3.6147 -3.5189 -3.5189 -3.4541 -3.4541 -3.4270 -3.4270 -3.2535 -3.2535 -3.2105 -3.2105 3.4855 3.4855 4.2831 4.2831 4.5571 4.5571 4.6530 4.6530 5.0804 5.0804 5.2459 5.2459 k = 0.0000 0.7947 0.3827 ( 11353 PWs) bands (ev): -24.9777 -24.9777 -24.9709 -24.9709 -24.9049 -24.9049 -24.8982 -24.8982 -9.5905 -9.5905 -9.3116 -9.3116 -9.0395 -9.0395 -8.8739 -8.8739 -6.7779 -6.7779 -6.5802 -6.5802 -6.4501 -6.4501 -6.3433 -6.3433 -6.2808 -6.2808 -6.1516 -6.1516 -5.9330 -5.9330 -5.8755 -5.8755 -5.8215 -5.8215 -5.7185 -5.7185 -5.5933 -5.5933 -5.4602 -5.4602 -3.8884 -3.8884 -3.7940 -3.7940 -3.6108 -3.6108 -3.5236 -3.5236 -3.4564 -3.4564 -3.4366 -3.4366 -3.2473 -3.2473 -3.2101 -3.2101 3.5152 3.5152 4.3067 4.3067 4.5579 4.5579 4.6680 4.6680 5.0168 5.0168 5.2555 5.2555 k = 0.0000 0.7974 0.3587 ( 11352 PWs) bands (ev): -24.9774 -24.9774 -24.9711 -24.9711 -24.9047 -24.9047 -24.8985 -24.8985 -9.5768 -9.5768 -9.2993 -9.2993 -9.0639 -9.0639 -8.8893 -8.8893 -6.7521 -6.7521 -6.5578 -6.5578 -6.4466 -6.4466 -6.3346 -6.3346 -6.2755 -6.2755 -6.1675 -6.1675 -5.9297 -5.9297 -5.8960 -5.8960 -5.8390 -5.8390 -5.7249 -5.7249 -5.5903 -5.5903 -5.4654 -5.4654 -3.8803 -3.8803 -3.7897 -3.7897 -3.6067 -3.6067 -3.5286 -3.5286 -3.4603 -3.4603 -3.4448 -3.4448 -3.2413 -3.2413 -3.2096 -3.2096 3.5473 3.5473 4.3324 4.3324 4.5551 4.5551 4.6839 4.6839 4.9567 4.9567 5.2662 5.2662 k = 0.0000 0.8002 0.3346 ( 11341 PWs) bands (ev): -24.9772 -24.9772 -24.9713 -24.9713 -24.9044 -24.9044 -24.8987 -24.8987 -9.5618 -9.5618 -9.2860 -9.2860 -9.0892 -9.0892 -8.9060 -8.9060 -6.7250 -6.7250 -6.5352 -6.5352 -6.4429 -6.4429 -6.3253 -6.3253 -6.2688 -6.2688 -6.1848 -6.1848 -5.9268 -5.9268 -5.9162 -5.9162 -5.8578 -5.8578 -5.7323 -5.7323 -5.5871 -5.5871 -5.4709 -5.4709 -3.8716 -3.8716 -3.7855 -3.7855 -3.6025 -3.6025 -3.5338 -3.5338 -3.4664 -3.4664 -3.4509 -3.4509 -3.2358 -3.2358 -3.2090 -3.2090 3.5819 3.5819 4.3604 4.3604 4.5464 4.5464 4.7002 4.7002 4.9026 4.9026 5.2781 5.2781 k = 0.0000 0.8029 0.3106 ( 11343 PWs) bands (ev): -24.9769 -24.9769 -24.9716 -24.9716 -24.9042 -24.9042 -24.8989 -24.8989 -9.5456 -9.5456 -9.2717 -9.2717 -9.1151 -9.1151 -8.9238 -8.9238 -6.6969 -6.6969 -6.5130 -6.5130 -6.4393 -6.4393 -6.3153 -6.3153 -6.2603 -6.2603 -6.2032 -6.2032 -5.9410 -5.9410 -5.9195 -5.9195 -5.8777 -5.8777 -5.7407 -5.7407 -5.5834 -5.5834 -5.4767 -5.4767 -3.8624 -3.8624 -3.7815 -3.7815 -3.5983 -3.5983 -3.5391 -3.5391 -3.4741 -3.4741 -3.4552 -3.4552 -3.2306 -3.2306 -3.2084 -3.2084 3.6191 3.6191 4.3906 4.3906 4.5290 4.5290 4.7167 4.7167 4.8574 4.8574 5.2911 5.2911 k = 0.0000 0.8057 0.2865 ( 11343 PWs) bands (ev): -24.9767 -24.9767 -24.9718 -24.9718 -24.9039 -24.9039 -24.8992 -24.8992 -9.5283 -9.5283 -9.2564 -9.2564 -9.1416 -9.1416 -8.9425 -8.9425 -6.6679 -6.6679 -6.4918 -6.4918 -6.4356 -6.4356 -6.3047 -6.3047 -6.2501 -6.2501 -6.2224 -6.2224 -5.9635 -5.9635 -5.9154 -5.9154 -5.8976 -5.8976 -5.7499 -5.7499 -5.5794 -5.5794 -5.4828 -5.4828 -3.8529 -3.8529 -3.7778 -3.7778 -3.5944 -3.5944 -3.5444 -3.5444 -3.4818 -3.4818 -3.4590 -3.4590 -3.2259 -3.2259 -3.2077 -3.2077 3.6587 3.6587 4.4232 4.4232 4.5007 4.5007 4.7328 4.7328 4.8234 4.8234 5.2901 5.2901 k = 0.0000 0.8084 0.2625 ( 11348 PWs) bands (ev): -24.9764 -24.9764 -24.9721 -24.9721 -24.9037 -24.9037 -24.8995 -24.8995 -9.5098 -9.5098 -9.2403 -9.2403 -9.1684 -9.1684 -8.9619 -8.9619 -6.6384 -6.6384 -6.4724 -6.4724 -6.4320 -6.4320 -6.2932 -6.2932 -6.2471 -6.2471 -6.2333 -6.2333 -5.9870 -5.9870 -5.9243 -5.9243 -5.9045 -5.9045 -5.7599 -5.7599 -5.5750 -5.5750 -5.4891 -5.4891 -3.8431 -3.8431 -3.7747 -3.7747 -3.5909 -3.5909 -3.5497 -3.5497 -3.4887 -3.4887 -3.4628 -3.4628 -3.2217 -3.2217 -3.2070 -3.2070 3.7008 3.7008 4.4580 4.4580 4.4614 4.4614 4.7484 4.7484 4.8009 4.8009 5.2248 5.2248 k = 0.0000 0.8111 0.2384 ( 11348 PWs) bands (ev): -24.9761 -24.9761 -24.9724 -24.9724 -24.9034 -24.9034 -24.8997 -24.8997 -9.4903 -9.4903 -9.2233 -9.2233 -9.1954 -9.1954 -8.9820 -8.9820 -6.6084 -6.6084 -6.4554 -6.4554 -6.4286 -6.4286 -6.2815 -6.2815 -6.2655 -6.2655 -6.2202 -6.2202 -6.0109 -6.0109 -5.9464 -5.9464 -5.8983 -5.8983 -5.7705 -5.7705 -5.5703 -5.5703 -5.4955 -5.4955 -3.8333 -3.8333 -3.7723 -3.7723 -3.5879 -3.5879 -3.5549 -3.5549 -3.4942 -3.4942 -3.4667 -3.4667 -3.2180 -3.2180 -3.2064 -3.2064 3.7454 3.7454 4.4127 4.4127 4.4952 4.4952 4.7629 4.7629 4.7878 4.7878 5.1601 5.1601 k = 0.0000 0.8139 0.2144 ( 11349 PWs) bands (ev): -24.9758 -24.9758 -24.9727 -24.9727 -24.9031 -24.9031 -24.9000 -24.9000 -9.4698 -9.4698 -9.2224 -9.2224 -9.2055 -9.2055 -9.0026 -9.0026 -6.5783 -6.5783 -6.4413 -6.4413 -6.4254 -6.4254 -6.2921 -6.2921 -6.2624 -6.2624 -6.2034 -6.2034 -6.0352 -6.0352 -5.9702 -5.9702 -5.8903 -5.8903 -5.7815 -5.7815 -5.5652 -5.5652 -5.5021 -5.5021 -3.8236 -3.8236 -3.7708 -3.7708 -3.5856 -3.5856 -3.5599 -3.5599 -3.4979 -3.4979 -3.4708 -3.4708 -3.2148 -3.2148 -3.2058 -3.2058 3.7924 3.7924 4.3580 4.3580 4.5344 4.5344 4.7762 4.7762 4.7809 4.7809 5.0969 5.0969 k = 0.0000 0.8166 0.1903 ( 11347 PWs) bands (ev): -24.9755 -24.9755 -24.9730 -24.9730 -24.9028 -24.9028 -24.9003 -24.9003 -9.4482 -9.4482 -9.2493 -9.2493 -9.1870 -9.1870 -9.0235 -9.0235 -6.5484 -6.5484 -6.4307 -6.4307 -6.4224 -6.4224 -6.3153 -6.3153 -6.2454 -6.2454 -6.1846 -6.1846 -6.0598 -6.0598 -5.9948 -5.9948 -5.8814 -5.8814 -5.7929 -5.7929 -5.5597 -5.5597 -5.5087 -5.5087 -3.8141 -3.8141 -3.7705 -3.7705 -3.5840 -3.5840 -3.5646 -3.5646 -3.4999 -3.4999 -3.4752 -3.4752 -3.2121 -3.2121 -3.2054 -3.2054 3.8417 3.8417 4.2997 4.2997 4.5757 4.5757 4.7773 4.7773 4.7883 4.7883 5.0358 5.0358 k = 0.0000 0.8193 0.1663 ( 11345 PWs) bands (ev): -24.9752 -24.9752 -24.9733 -24.9733 -24.9025 -24.9025 -24.9006 -24.9006 -9.4258 -9.4258 -9.2760 -9.2760 -9.1679 -9.1679 -9.0445 -9.0445 -6.5188 -6.5188 -6.4246 -6.4246 -6.4184 -6.4184 -6.3397 -6.3397 -6.2259 -6.2259 -6.1641 -6.1641 -6.0844 -6.0844 -6.0198 -6.0198 -5.8717 -5.8717 -5.8046 -5.8046 -5.5540 -5.5540 -5.5154 -5.5154 -3.8051 -3.8051 -3.7714 -3.7714 -3.5827 -3.5827 -3.5689 -3.5689 -3.5000 -3.5000 -3.4797 -3.4797 -3.2099 -3.2099 -3.2052 -3.2052 3.8934 3.8934 4.2397 4.2397 4.6183 4.6183 4.7744 4.7744 4.7993 4.7993 4.9776 4.9776 k = 0.0000 0.8221 0.1422 ( 11343 PWs) bands (ev): -24.9749 -24.9749 -24.9736 -24.9736 -24.9022 -24.9022 -24.9009 -24.9009 -9.4025 -9.4025 -9.3023 -9.3023 -9.1482 -9.1482 -9.0656 -9.0656 -6.4900 -6.4900 -6.4235 -6.4235 -6.4134 -6.4134 -6.3640 -6.3640 -6.2045 -6.2045 -6.1424 -6.1424 -6.1089 -6.1089 -6.0449 -6.0449 -5.8615 -5.8615 -5.8163 -5.8163 -5.5480 -5.5480 -5.5221 -5.5221 -3.7967 -3.7967 -3.7738 -3.7738 -3.5815 -3.5815 -3.5726 -3.5726 -3.4986 -3.4986 -3.4841 -3.4841 -3.2082 -3.2082 -3.2051 -3.2051 3.9472 3.9472 4.1793 4.1793 4.6614 4.6614 4.7694 4.7694 4.8103 4.8103 4.9241 4.9241 k = 0.0000 0.8248 0.1182 ( 11345 PWs) bands (ev): -24.9746 -24.9746 -24.9739 -24.9739 -24.9019 -24.9019 -24.9012 -24.9012 -9.3784 -9.3784 -9.3283 -9.3283 -9.1281 -9.1281 -9.0866 -9.0866 -6.4630 -6.4630 -6.4273 -6.4273 -6.4083 -6.4083 -6.3861 -6.3861 -6.1819 -6.1819 -6.1348 -6.1348 -6.1179 -6.1179 -6.0700 -6.0700 -5.8507 -5.8507 -5.8280 -5.8280 -5.5417 -5.5417 -5.5288 -5.5288 -3.7892 -3.7892 -3.7776 -3.7776 -3.5801 -3.5801 -3.5758 -3.5758 -3.4960 -3.4960 -3.4885 -3.4885 -3.2068 -3.2068 -3.2054 -3.2054 4.0029 4.0029 4.1194 4.1194 4.7025 4.7025 4.7585 4.7585 4.8236 4.8236 4.8782 4.8782 k = 0.0000 0.8275 0.0942 ( 11354 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.3537 -9.3537 -9.3537 -9.3537 -9.1075 -9.1075 -9.1075 -9.1075 -6.4403 -6.4403 -6.4403 -6.4403 -6.4010 -6.4010 -6.4010 -6.4010 -6.1583 -6.1583 -6.1583 -6.1583 -6.0946 -6.0946 -6.0946 -6.0946 -5.8395 -5.8395 -5.8395 -5.8395 -5.5353 -5.5353 -5.5353 -5.5353 -3.7827 -3.7827 -3.7827 -3.7827 -3.5782 -3.5782 -3.5782 -3.5782 -3.4925 -3.4925 -3.4925 -3.4925 -3.2059 -3.2059 -3.2059 -3.2059 4.0604 4.0604 4.0604 4.0604 4.7366 4.7366 4.7366 4.7366 4.8444 4.8444 4.8444 4.8444 k = 0.0000 0.8275 0.0942 ( 11354 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.3537 -9.3537 -9.3537 -9.3537 -9.1075 -9.1075 -9.1075 -9.1075 -6.4403 -6.4403 -6.4403 -6.4403 -6.4010 -6.4010 -6.4010 -6.4010 -6.1583 -6.1583 -6.1583 -6.1583 -6.0946 -6.0946 -6.0946 -6.0946 -5.8395 -5.8395 -5.8395 -5.8395 -5.5353 -5.5353 -5.5353 -5.5353 -3.7827 -3.7827 -3.7827 -3.7827 -3.5782 -3.5782 -3.5782 -3.5782 -3.4925 -3.4925 -3.4925 -3.4925 -3.2059 -3.2059 -3.2059 -3.2059 4.0604 4.0604 4.0604 4.0604 4.7366 4.7366 4.7366 4.7366 4.8444 4.8444 4.8444 4.8444 k = 0.0238 0.8275 0.0942 ( 11356 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.3536 -9.3536 -9.3536 -9.3536 -9.1075 -9.1075 -9.1075 -9.1075 -6.4405 -6.4405 -6.4398 -6.4398 -6.4010 -6.4010 -6.4009 -6.4009 -6.1586 -6.1586 -6.1583 -6.1583 -6.0951 -6.0951 -6.0940 -6.0940 -5.8398 -5.8398 -5.8392 -5.8392 -5.5356 -5.5356 -5.5353 -5.5353 -3.7824 -3.7824 -3.7824 -3.7824 -3.5787 -3.5787 -3.5783 -3.5783 -3.4923 -3.4923 -3.4920 -3.4920 -3.2064 -3.2064 -3.2063 -3.2063 4.0606 4.0606 4.0606 4.0606 4.7334 4.7334 4.7336 4.7336 4.8495 4.8495 4.8497 4.8497 k = 0.0476 0.8275 0.0942 ( 11348 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.3536 -9.3536 -9.3535 -9.3535 -9.1077 -9.1077 -9.1076 -9.1076 -6.4405 -6.4405 -6.4391 -6.4391 -6.4009 -6.4009 -6.4007 -6.4007 -6.1592 -6.1592 -6.1586 -6.1586 -6.0957 -6.0957 -6.0933 -6.0933 -5.8402 -5.8402 -5.8390 -5.8390 -5.5359 -5.5359 -5.5353 -5.5353 -3.7814 -3.7814 -3.7813 -3.7813 -3.5796 -3.5796 -3.5788 -3.5788 -3.4914 -3.4914 -3.4907 -3.4907 -3.2077 -3.2077 -3.2076 -3.2076 4.0612 4.0612 4.0612 4.0612 4.7255 4.7255 4.7258 4.7258 4.8636 4.8636 4.8638 4.8638 k = 0.0714 0.8275 0.0942 ( 11350 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.3534 -9.3534 -9.3534 -9.3534 -9.1078 -9.1078 -9.1078 -9.1078 -6.4402 -6.4402 -6.4381 -6.4381 -6.4007 -6.4007 -6.4005 -6.4005 -6.1600 -6.1600 -6.1591 -6.1591 -6.0962 -6.0962 -6.0927 -6.0927 -5.8407 -5.8407 -5.8389 -5.8389 -5.5364 -5.5364 -5.5355 -5.5355 -3.7796 -3.7796 -3.7795 -3.7795 -3.5810 -3.5810 -3.5798 -3.5798 -3.4897 -3.4897 -3.4888 -3.4888 -3.2098 -3.2098 -3.2097 -3.2097 4.0622 4.0622 4.0623 4.0623 4.7152 4.7152 4.7157 4.7157 4.8839 4.8839 4.8842 4.8842 k = 0.0952 0.8275 0.0942 ( 11348 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9016 -24.9016 -24.9016 -24.9016 -9.3533 -9.3533 -9.3532 -9.3532 -9.1081 -9.1081 -9.1080 -9.1080 -6.4397 -6.4397 -6.4370 -6.4370 -6.4004 -6.4004 -6.4002 -6.4002 -6.1612 -6.1612 -6.1600 -6.1600 -6.0966 -6.0966 -6.0919 -6.0919 -5.8412 -5.8412 -5.8389 -5.8389 -5.5370 -5.5370 -5.5358 -5.5358 -3.7772 -3.7772 -3.7771 -3.7771 -3.5827 -3.5827 -3.5813 -3.5813 -3.4873 -3.4873 -3.4862 -3.4862 -3.2128 -3.2128 -3.2127 -3.2127 4.0638 4.0638 4.0639 4.0639 4.7042 4.7042 4.7048 4.7048 4.9084 4.9084 4.9089 4.9089 k = 0.1190 0.8275 0.0942 ( 11348 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9016 -24.9016 -24.9016 -24.9016 -9.3531 -9.3531 -9.3530 -9.3530 -9.1084 -9.1084 -9.1083 -9.1083 -6.4390 -6.4390 -6.4357 -6.4357 -6.3999 -6.3999 -6.3998 -6.3998 -6.1627 -6.1627 -6.1612 -6.1612 -6.0970 -6.0970 -6.0910 -6.0910 -5.8418 -5.8418 -5.8389 -5.8389 -5.5378 -5.5378 -5.5363 -5.5363 -3.7742 -3.7742 -3.7740 -3.7740 -3.5848 -3.5848 -3.5832 -3.5832 -3.4843 -3.4843 -3.4829 -3.4829 -3.2167 -3.2167 -3.2164 -3.2164 4.0661 4.0661 4.0662 4.0662 4.6929 4.6929 4.6938 4.6938 4.9359 4.9359 4.9366 4.9366 k = 0.1429 0.8275 0.0942 ( 11362 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9016 -24.9016 -24.9016 -24.9016 -9.3528 -9.3528 -9.3527 -9.3527 -9.1088 -9.1088 -9.1086 -9.1086 -6.4380 -6.4380 -6.4343 -6.4343 -6.3993 -6.3993 -6.3991 -6.3991 -6.1647 -6.1647 -6.1628 -6.1628 -6.0971 -6.0971 -6.0899 -6.0899 -5.8425 -5.8425 -5.8389 -5.8389 -5.5386 -5.5386 -5.5369 -5.5369 -3.7706 -3.7706 -3.7704 -3.7704 -3.5873 -3.5873 -3.5854 -3.5854 -3.4805 -3.4805 -3.4790 -3.4790 -3.2213 -3.2213 -3.2210 -3.2210 4.0693 4.0693 4.0694 4.0694 4.6816 4.6816 4.6826 4.6826 4.9657 4.9657 4.9665 4.9665 k = 0.1667 0.8275 0.0942 ( 11366 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9016 -24.9016 -24.9016 -24.9016 -9.3525 -9.3525 -9.3524 -9.3524 -9.1092 -9.1092 -9.1090 -9.1090 -6.4370 -6.4370 -6.4329 -6.4329 -6.3987 -6.3987 -6.3981 -6.3981 -6.1671 -6.1671 -6.1648 -6.1648 -6.0970 -6.0970 -6.0887 -6.0887 -5.8432 -5.8432 -5.8390 -5.8390 -5.5396 -5.5396 -5.5375 -5.5375 -3.7665 -3.7665 -3.7663 -3.7663 -3.5900 -3.5900 -3.5880 -3.5880 -3.4762 -3.4762 -3.4746 -3.4746 -3.2266 -3.2266 -3.2263 -3.2263 4.0734 4.0734 4.0736 4.0736 4.6699 4.6699 4.6709 4.6709 4.9972 4.9972 4.9981 4.9981 k = 0.1905 0.8275 0.0942 ( 11358 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9016 -24.9016 -24.9016 -24.9016 -9.3522 -9.3522 -9.3521 -9.3521 -9.1096 -9.1096 -9.1094 -9.1094 -6.4358 -6.4358 -6.4315 -6.4315 -6.3979 -6.3979 -6.3969 -6.3969 -6.1700 -6.1700 -6.1672 -6.1672 -6.0967 -6.0967 -6.0872 -6.0872 -5.8439 -5.8439 -5.8391 -5.8391 -5.5406 -5.5406 -5.5383 -5.5383 -3.7619 -3.7619 -3.7616 -3.7616 -3.5930 -3.5930 -3.5908 -3.5908 -3.4712 -3.4712 -3.4696 -3.4696 -3.2327 -3.2327 -3.2324 -3.2324 4.0788 4.0788 4.0790 4.0790 4.6573 4.6573 4.6585 4.6585 5.0299 5.0299 5.0309 5.0309 k = 0.2143 0.8275 0.0942 ( 11372 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9017 -24.9017 -24.9017 -24.9017 -9.3519 -9.3519 -9.3518 -9.3518 -9.1101 -9.1101 -9.1099 -9.1099 -6.4345 -6.4345 -6.4302 -6.4302 -6.3970 -6.3970 -6.3952 -6.3952 -6.1733 -6.1733 -6.1700 -6.1700 -6.0962 -6.0962 -6.0856 -6.0856 -5.8447 -5.8447 -5.8392 -5.8392 -5.5416 -5.5416 -5.5391 -5.5391 -3.7570 -3.7570 -3.7567 -3.7567 -3.5962 -3.5962 -3.5939 -3.5939 -3.4657 -3.4657 -3.4640 -3.4640 -3.2395 -3.2395 -3.2391 -3.2391 4.0855 4.0855 4.0858 4.0858 4.6433 4.6433 4.6446 4.6446 5.0632 5.0632 5.0644 5.0644 k = 0.2381 0.8275 0.0942 ( 11370 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9017 -24.9017 -24.9017 -24.9017 -9.3516 -9.3516 -9.3514 -9.3514 -9.1106 -9.1106 -9.1104 -9.1104 -6.4332 -6.4332 -6.4290 -6.4290 -6.3960 -6.3960 -6.3933 -6.3933 -6.1770 -6.1770 -6.1731 -6.1731 -6.0954 -6.0954 -6.0838 -6.0838 -5.8455 -5.8455 -5.8394 -5.8394 -5.5427 -5.5427 -5.5400 -5.5400 -3.7517 -3.7517 -3.7514 -3.7514 -3.5995 -3.5995 -3.5972 -3.5972 -3.4596 -3.4596 -3.4580 -3.4580 -3.2470 -3.2470 -3.2465 -3.2465 4.0938 4.0938 4.0941 4.0941 4.6275 4.6275 4.6288 4.6288 5.0967 5.0967 5.0981 5.0981 k = 0.2619 0.8275 0.0942 ( 11382 PWs) bands (ev): -24.9742 -24.9742 -24.9741 -24.9741 -24.9017 -24.9017 -24.9017 -24.9017 -9.3512 -9.3512 -9.3510 -9.3510 -9.1111 -9.1111 -9.1109 -9.1109 -6.4319 -6.4319 -6.4279 -6.4279 -6.3947 -6.3947 -6.3910 -6.3910 -6.1810 -6.1810 -6.1765 -6.1765 -6.0945 -6.0945 -6.0818 -6.0818 -5.8463 -5.8463 -5.8395 -5.8395 -5.5438 -5.5438 -5.5409 -5.5409 -3.7462 -3.7462 -3.7459 -3.7459 -3.6030 -3.6030 -3.6006 -3.6006 -3.4530 -3.4530 -3.4514 -3.4514 -3.2550 -3.2550 -3.2545 -3.2545 4.1037 4.1037 4.1041 4.1041 4.6095 4.6095 4.6108 4.6108 5.1299 5.1299 5.1314 5.1314 k = 0.2857 0.8275 0.0942 ( 11378 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9017 -24.9017 -24.9017 -24.9017 -9.3509 -9.3509 -9.3507 -9.3507 -9.1116 -9.1116 -9.1113 -9.1113 -6.4307 -6.4307 -6.4271 -6.4271 -6.3934 -6.3934 -6.3884 -6.3884 -6.1853 -6.1853 -6.1800 -6.1800 -6.0934 -6.0934 -6.0799 -6.0799 -5.8470 -5.8470 -5.8397 -5.8397 -5.5449 -5.5449 -5.5418 -5.5418 -3.7406 -3.7406 -3.7402 -3.7402 -3.6066 -3.6066 -3.6042 -3.6042 -3.4458 -3.4458 -3.4443 -3.4443 -3.2635 -3.2635 -3.2630 -3.2630 4.1154 4.1154 4.1158 4.1158 4.5890 4.5890 4.5903 4.5903 5.1624 5.1624 5.1640 5.1640 k = 0.3095 0.8275 0.0942 ( 11380 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9017 -24.9017 -24.9017 -24.9017 -9.3505 -9.3505 -9.3503 -9.3503 -9.1120 -9.1120 -9.1118 -9.1118 -6.4296 -6.4296 -6.4264 -6.4264 -6.3919 -6.3919 -6.3856 -6.3856 -6.1897 -6.1897 -6.1836 -6.1836 -6.0923 -6.0923 -6.0779 -6.0779 -5.8478 -5.8478 -5.8398 -5.8398 -5.5460 -5.5460 -5.5427 -5.5427 -3.7350 -3.7350 -3.7346 -3.7346 -3.6103 -3.6103 -3.6078 -3.6078 -3.4382 -3.4382 -3.4367 -3.4367 -3.2725 -3.2725 -3.2719 -3.2719 4.1289 4.1289 4.1294 4.1294 4.5660 4.5660 4.5674 4.5674 5.1934 5.1934 5.1952 5.1952 k = 0.3333 0.8275 0.0942 ( 11372 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9017 -24.9017 -24.9017 -24.9017 -9.3502 -9.3502 -9.3500 -9.3500 -9.1125 -9.1125 -9.1122 -9.1122 -6.4286 -6.4286 -6.4258 -6.4258 -6.3903 -6.3903 -6.3827 -6.3827 -6.1940 -6.1940 -6.1872 -6.1872 -6.0911 -6.0911 -6.0759 -6.0759 -5.8485 -5.8485 -5.8400 -5.8400 -5.5470 -5.5470 -5.5435 -5.5435 -3.7295 -3.7295 -3.7290 -3.7290 -3.6139 -3.6139 -3.6114 -3.6114 -3.4301 -3.4301 -3.4287 -3.4287 -3.2819 -3.2819 -3.2813 -3.2813 4.1442 4.1442 4.1449 4.1449 4.5408 4.5408 4.5422 4.5422 5.2225 5.2225 5.2244 5.2244 k = 0.3571 0.8275 0.0942 ( 11364 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9018 -24.9018 -24.9017 -24.9017 -9.3499 -9.3499 -9.3497 -9.3497 -9.1129 -9.1129 -9.1126 -9.1126 -6.4277 -6.4277 -6.4254 -6.4254 -6.3886 -6.3886 -6.3798 -6.3798 -6.1983 -6.1983 -6.1906 -6.1906 -6.0900 -6.0900 -6.0741 -6.0741 -5.8491 -5.8491 -5.8401 -5.8401 -5.5479 -5.5479 -5.5443 -5.5443 -3.7242 -3.7242 -3.7236 -3.7236 -3.6175 -3.6175 -3.6150 -3.6150 -3.4217 -3.4217 -3.4203 -3.4203 -3.2916 -3.2916 -3.2909 -3.2909 4.1614 4.1614 4.1621 4.1621 4.5138 4.5138 4.5151 4.5151 5.2491 5.2491 5.2511 5.2511 k = 0.3810 0.8275 0.0942 ( 11372 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9018 -24.9018 -24.9018 -24.9018 -9.3497 -9.3497 -9.3494 -9.3494 -9.1133 -9.1133 -9.1130 -9.1130 -6.4270 -6.4270 -6.4250 -6.4250 -6.3871 -6.3871 -6.3770 -6.3770 -6.2022 -6.2022 -6.1938 -6.1938 -6.0889 -6.0889 -6.0724 -6.0724 -5.8497 -5.8497 -5.8402 -5.8402 -5.5487 -5.5487 -5.5450 -5.5450 -3.7192 -3.7192 -3.7186 -3.7186 -3.6210 -3.6210 -3.6184 -3.6184 -3.4129 -3.4129 -3.4117 -3.4117 -3.3015 -3.3015 -3.3007 -3.3007 4.1801 4.1801 4.1811 4.1811 4.4855 4.4855 4.4869 4.4869 5.2724 5.2724 5.2744 5.2744 k = 0.4048 0.8275 0.0942 ( 11362 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9018 -24.9018 -24.9018 -24.9018 -9.3494 -9.3494 -9.3492 -9.3492 -9.1136 -9.1136 -9.1133 -9.1133 -6.4264 -6.4264 -6.4248 -6.4248 -6.3856 -6.3856 -6.3745 -6.3745 -6.2057 -6.2057 -6.1966 -6.1966 -6.0880 -6.0880 -6.0710 -6.0710 -5.8502 -5.8502 -5.8403 -5.8403 -5.5494 -5.5494 -5.5456 -5.5456 -3.7148 -3.7148 -3.7141 -3.7141 -3.6241 -3.6241 -3.6215 -3.6215 -3.4039 -3.4039 -3.4028 -3.4028 -3.3114 -3.3114 -3.3105 -3.3105 4.2002 4.2002 4.2014 4.2014 4.4568 4.4568 4.4583 4.4583 5.2916 5.2916 5.2932 5.2932 k = 0.4286 0.8275 0.0942 ( 11362 PWs) bands (ev): -24.9741 -24.9741 -24.9740 -24.9740 -24.9018 -24.9018 -24.9018 -24.9018 -9.3493 -9.3493 -9.3490 -9.3490 -9.1138 -9.1138 -9.1135 -9.1135 -6.4260 -6.4260 -6.4246 -6.4246 -6.3844 -6.3844 -6.3723 -6.3723 -6.2087 -6.2087 -6.1989 -6.1989 -6.0872 -6.0872 -6.0698 -6.0698 -5.8506 -5.8506 -5.8404 -5.8404 -5.5499 -5.5499 -5.5461 -5.5461 -3.7110 -3.7110 -3.7103 -3.7103 -3.6268 -3.6268 -3.6242 -3.6242 -3.3950 -3.3950 -3.3940 -3.3940 -3.3211 -3.3211 -3.3201 -3.3201 4.2210 4.2210 4.2224 4.2224 4.4286 4.4286 4.4304 4.4304 5.3046 5.3046 5.3047 5.3047 k = 0.4524 0.8275 0.0942 ( 11348 PWs) bands (ev): -24.9740 -24.9740 -24.9740 -24.9740 -24.9018 -24.9018 -24.9018 -24.9018 -9.3491 -9.3491 -9.3489 -9.3489 -9.1140 -9.1140 -9.1137 -9.1137 -6.4256 -6.4256 -6.4245 -6.4245 -6.3834 -6.3834 -6.3706 -6.3706 -6.2109 -6.2109 -6.2006 -6.2006 -6.0866 -6.0866 -6.0689 -6.0689 -5.8509 -5.8509 -5.8404 -5.8404 -5.5503 -5.5503 -5.5465 -5.5465 -3.7081 -3.7081 -3.7074 -3.7074 -3.6289 -3.6289 -3.6263 -3.6263 -3.3865 -3.3865 -3.3858 -3.3858 -3.3301 -3.3301 -3.3289 -3.3289 4.2411 4.2411 4.2429 4.2429 4.4028 4.4028 4.4049 4.4049 5.3098 5.3098 5.3105 5.3105 k = 0.4762 0.8275 0.0942 ( 11332 PWs) bands (ev): -24.9740 -24.9740 -24.9740 -24.9740 -24.9018 -24.9018 -24.9018 -24.9018 -9.3490 -9.3490 -9.3488 -9.3488 -9.1141 -9.1141 -9.1138 -9.1138 -6.4254 -6.4254 -6.4244 -6.4244 -6.3828 -6.3828 -6.3696 -6.3696 -6.2122 -6.2122 -6.2016 -6.2016 -6.0863 -6.0863 -6.0684 -6.0684 -5.8511 -5.8511 -5.8404 -5.8404 -5.5506 -5.5506 -5.5467 -5.5467 -3.7063 -3.7063 -3.7055 -3.7055 -3.6303 -3.6303 -3.6276 -3.6276 -3.3797 -3.3797 -3.3791 -3.3791 -3.3373 -3.3373 -3.3359 -3.3359 4.2574 4.2574 4.2598 4.2598 4.3826 4.3826 4.3853 4.3853 5.3122 5.3122 5.3131 5.3131 k = 0.5000 0.8275 0.0942 ( 11336 PWs) bands (ev): -24.9740 -24.9740 -24.9740 -24.9740 -24.9018 -24.9018 -24.9018 -24.9018 -9.3490 -9.3490 -9.3488 -9.3488 -9.1141 -9.1141 -9.1138 -9.1138 -6.4254 -6.4254 -6.4244 -6.4244 -6.3826 -6.3826 -6.3693 -6.3693 -6.2127 -6.2127 -6.2020 -6.2020 -6.0862 -6.0862 -6.0682 -6.0682 -5.8512 -5.8512 -5.8405 -5.8405 -5.5507 -5.5507 -5.5468 -5.5468 -3.7057 -3.7057 -3.7049 -3.7049 -3.6308 -3.6308 -3.6281 -3.6281 -3.3768 -3.3768 -3.3764 -3.3764 -3.3403 -3.3403 -3.3388 -3.3388 4.2642 4.2642 4.2670 4.2670 4.3743 4.3743 4.3773 4.3773 5.3130 5.3130 5.3139 5.3139 k = 0.5000 0.8275 0.0942 ( 11336 PWs) bands (ev): -24.9740 -24.9740 -24.9740 -24.9740 -24.9018 -24.9018 -24.9018 -24.9018 -9.3490 -9.3490 -9.3488 -9.3488 -9.1141 -9.1141 -9.1138 -9.1138 -6.4254 -6.4254 -6.4244 -6.4244 -6.3826 -6.3826 -6.3693 -6.3693 -6.2127 -6.2127 -6.2020 -6.2020 -6.0862 -6.0862 -6.0682 -6.0682 -5.8512 -5.8512 -5.8405 -5.8405 -5.5507 -5.5507 -5.5468 -5.5468 -3.7057 -3.7057 -3.7049 -3.7049 -3.6308 -3.6308 -3.6281 -3.6281 -3.3768 -3.3768 -3.3764 -3.3764 -3.3403 -3.3403 -3.3388 -3.3388 4.2642 4.2642 4.2670 4.2670 4.3743 4.3743 4.3773 4.3773 5.3130 5.3130 5.3139 5.3139 k = 0.5000 0.8303 0.0701 ( 11344 PWs) bands (ev): -24.9740 -24.9740 -24.9740 -24.9740 -24.9018 -24.9018 -24.9018 -24.9018 -9.3510 -9.3510 -9.3508 -9.3508 -9.1116 -9.1116 -9.1114 -9.1114 -6.4308 -6.4308 -6.4304 -6.4304 -6.3802 -6.3802 -6.3685 -6.3685 -6.2101 -6.2101 -6.1992 -6.1992 -6.0860 -6.0860 -6.0683 -6.0683 -5.8502 -5.8502 -5.8394 -5.8394 -5.5506 -5.5506 -5.5466 -5.5466 -3.7059 -3.7059 -3.7051 -3.7051 -3.6310 -3.6310 -3.6283 -3.6283 -3.3777 -3.3777 -3.3773 -3.3773 -3.3391 -3.3391 -3.3376 -3.3376 4.2495 4.2495 4.2523 4.2523 4.3891 4.3891 4.3920 4.3920 5.2958 5.2958 5.2973 5.2973 k = 0.5000 0.8330 0.0461 ( 11348 PWs) bands (ev): -24.9740 -24.9740 -24.9740 -24.9740 -24.9018 -24.9018 -24.9018 -24.9018 -9.3568 -9.3568 -9.3566 -9.3566 -9.1044 -9.1044 -9.1041 -9.1041 -6.4462 -6.4462 -6.4439 -6.4439 -6.3761 -6.3761 -6.3672 -6.3672 -6.2028 -6.2028 -6.1916 -6.1916 -6.0852 -6.0852 -6.0685 -6.0685 -5.8476 -5.8476 -5.8362 -5.8362 -5.5502 -5.5502 -5.5462 -5.5462 -3.7066 -3.7066 -3.7058 -3.7058 -3.6317 -3.6317 -3.6290 -3.6290 -3.3801 -3.3801 -3.3799 -3.3799 -3.3357 -3.3357 -3.3344 -3.3344 4.2179 4.2179 4.2207 4.2207 4.4208 4.4208 4.4236 4.4236 5.2726 5.2726 5.2742 5.2742 k = 0.5000 0.8357 0.0220 ( 11342 PWs) bands (ev): -24.9740 -24.9740 -24.9740 -24.9740 -24.9018 -24.9018 -24.9018 -24.9018 -9.3657 -9.3657 -9.3655 -9.3655 -9.0932 -9.0932 -9.0929 -9.0929 -6.4667 -6.4667 -6.4630 -6.4630 -6.3734 -6.3734 -6.3668 -6.3668 -6.1919 -6.1919 -6.1808 -6.1808 -6.0835 -6.0835 -6.0684 -6.0684 -5.8432 -5.8432 -5.8312 -5.8312 -5.5496 -5.5496 -5.5455 -5.5455 -3.7077 -3.7077 -3.7069 -3.7069 -3.6328 -3.6328 -3.6302 -3.6302 -3.3834 -3.3834 -3.3833 -3.3833 -3.3309 -3.3309 -3.3298 -3.3298 4.1812 4.1812 4.1841 4.1841 4.4572 4.4572 4.4599 4.4599 5.2510 5.2510 5.2526 5.2526 k = 0.5000 0.8385-0.0020 ( 11348 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9018 -24.9018 -24.9018 -24.9018 -9.3769 -9.3769 -9.3767 -9.3767 -9.0789 -9.0789 -9.0786 -9.0786 -6.4901 -6.4901 -6.4857 -6.4857 -6.3726 -6.3726 -6.3678 -6.3678 -6.1792 -6.1792 -6.1687 -6.1687 -6.0801 -6.0801 -6.0676 -6.0676 -5.8375 -5.8375 -5.8246 -5.8246 -5.5487 -5.5487 -5.5446 -5.5446 -3.7093 -3.7093 -3.7084 -3.7084 -3.6343 -3.6343 -3.6318 -3.6318 -3.3869 -3.3869 -3.3869 -3.3869 -3.3254 -3.3254 -3.3244 -3.3244 4.1435 4.1435 4.1464 4.1464 4.4939 4.4939 4.4964 4.4964 5.2323 5.2323 5.2338 5.2338 k = 0.5000 0.8412-0.0261 ( 11350 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9018 -24.9018 -24.9018 -24.9018 -9.3895 -9.3895 -9.3893 -9.3893 -9.0622 -9.0622 -9.0619 -9.0619 -6.5153 -6.5153 -6.5106 -6.5106 -6.3737 -6.3737 -6.3701 -6.3701 -6.1663 -6.1663 -6.1575 -6.1575 -6.0740 -6.0740 -6.0652 -6.0652 -5.8307 -5.8307 -5.8167 -5.8167 -5.5476 -5.5476 -5.5434 -5.5434 -3.7112 -3.7112 -3.7103 -3.7103 -3.6363 -3.6363 -3.6339 -3.6339 -3.3905 -3.3905 -3.3903 -3.3903 -3.3194 -3.3194 -3.3186 -3.3186 4.1063 4.1063 4.1091 4.1091 4.5285 4.5285 4.5309 4.5309 5.2173 5.2173 5.2188 5.2188 k = 0.5000 0.8440-0.0501 ( 11342 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9017 -24.9017 -24.9017 -24.9017 -9.4029 -9.4029 -9.4027 -9.4027 -9.0440 -9.0440 -9.0437 -9.0437 -6.5416 -6.5416 -6.5370 -6.5370 -6.3761 -6.3761 -6.3734 -6.3734 -6.1549 -6.1549 -6.1488 -6.1488 -6.0645 -6.0645 -6.0603 -6.0603 -5.8229 -5.8229 -5.8080 -5.8080 -5.5463 -5.5463 -5.5420 -5.5420 -3.7135 -3.7135 -3.7125 -3.7125 -3.6387 -3.6387 -3.6364 -3.6364 -3.3937 -3.3937 -3.3935 -3.3935 -3.3133 -3.3133 -3.3126 -3.3126 4.0701 4.0701 4.0729 4.0729 4.5597 4.5597 4.5619 4.5619 5.2072 5.2072 5.2085 5.2085 k = 0.5000 0.8467-0.0742 ( 11338 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9017 -24.9017 -24.9017 -24.9017 -9.4167 -9.4167 -9.4165 -9.4165 -9.0247 -9.0247 -9.0244 -9.0244 -6.5686 -6.5686 -6.5642 -6.5642 -6.3795 -6.3795 -6.3775 -6.3775 -6.1462 -6.1462 -6.1432 -6.1432 -6.0521 -6.0521 -6.0515 -6.0515 -5.8147 -5.8147 -5.7987 -5.7987 -5.5449 -5.5449 -5.5404 -5.5404 -3.7160 -3.7160 -3.7150 -3.7150 -3.6414 -3.6414 -3.6393 -3.6393 -3.3966 -3.3966 -3.3963 -3.3963 -3.3072 -3.3072 -3.3066 -3.3066 4.0352 4.0352 4.0380 4.0380 4.5864 4.5864 4.5884 4.5884 5.2023 5.2023 5.2036 5.2036 k = 0.5000 0.8494-0.0982 ( 11338 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9017 -24.9017 -24.9017 -24.9017 -9.4304 -9.4304 -9.4302 -9.4302 -9.0049 -9.0049 -9.0046 -9.0046 -6.5958 -6.5958 -6.5917 -6.5917 -6.3837 -6.3837 -6.3821 -6.3821 -6.1405 -6.1405 -6.1401 -6.1401 -6.0407 -6.0407 -6.0358 -6.0358 -5.8061 -5.8061 -5.7892 -5.7892 -5.5433 -5.5433 -5.5387 -5.5387 -3.7187 -3.7187 -3.7177 -3.7177 -3.6445 -3.6445 -3.6425 -3.6425 -3.3989 -3.3989 -3.3986 -3.3986 -3.3013 -3.3013 -3.3008 -3.3008 4.0020 4.0020 4.0046 4.0046 4.6077 4.6077 4.6094 4.6094 5.2031 5.2031 5.2043 5.2043 k = 0.5000 0.8522-0.1223 ( 11338 PWs) bands (ev): -24.9741 -24.9741 -24.9741 -24.9741 -24.9017 -24.9017 -24.9017 -24.9017 -9.4438 -9.4438 -9.4436 -9.4436 -8.9849 -8.9849 -8.9847 -8.9847 -6.6229 -6.6229 -6.6192 -6.6192 -6.3883 -6.3883 -6.3870 -6.3870 -6.1388 -6.1388 -6.1375 -6.1375 -6.0266 -6.0266 -6.0186 -6.0186 -5.7975 -5.7975 -5.7797 -5.7797 -5.5415 -5.5415 -5.5368 -5.5368 -3.7215 -3.7215 -3.7206 -3.7206 -3.6478 -3.6478 -3.6460 -3.6460 -3.4008 -3.4008 -3.4005 -3.4005 -3.2955 -3.2955 -3.2951 -3.2951 3.9705 3.9705 3.9730 3.9730 4.6233 4.6233 4.6247 4.6247 5.2093 5.2093 5.2104 5.2104 k = 0.5000 0.8549-0.1463 ( 11340 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9017 -24.9017 -24.9017 -24.9017 -9.4567 -9.4567 -9.4566 -9.4566 -8.9651 -8.9651 -8.9648 -8.9648 -6.6495 -6.6495 -6.6463 -6.6463 -6.3931 -6.3931 -6.3920 -6.3920 -6.1386 -6.1386 -6.1363 -6.1363 -6.0109 -6.0109 -6.0007 -6.0007 -5.7891 -5.7891 -5.7707 -5.7707 -5.5396 -5.5396 -5.5349 -5.5349 -3.7245 -3.7245 -3.7235 -3.7235 -3.6513 -3.6513 -3.6497 -3.6497 -3.4021 -3.4021 -3.4018 -3.4018 -3.2901 -3.2901 -3.2898 -3.2898 3.9408 3.9408 3.9432 3.9432 4.6333 4.6333 4.6346 4.6346 5.2199 5.2199 5.2209 5.2209 k = 0.5000 0.8576-0.1703 ( 11336 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9017 -24.9017 -24.9016 -24.9016 -9.4690 -9.4690 -9.4688 -9.4688 -8.9457 -8.9457 -8.9454 -8.9454 -6.6755 -6.6755 -6.6726 -6.6726 -6.3979 -6.3979 -6.3970 -6.3970 -6.1390 -6.1390 -6.1363 -6.1363 -5.9945 -5.9945 -5.9827 -5.9827 -5.7810 -5.7810 -5.7621 -5.7621 -5.5377 -5.5377 -5.5329 -5.5329 -3.7275 -3.7275 -3.7265 -3.7265 -3.6549 -3.6549 -3.6535 -3.6535 -3.4030 -3.4030 -3.4027 -3.4027 -3.2850 -3.2850 -3.2847 -3.2847 3.9129 3.9129 3.9152 3.9152 4.6386 4.6386 4.6396 4.6396 5.2334 5.2334 5.2343 5.2343 k = 0.5000 0.8604-0.1944 ( 11354 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9016 -24.9016 -24.9016 -24.9016 -9.4804 -9.4804 -9.4803 -9.4803 -8.9270 -8.9270 -8.9268 -8.9268 -6.7004 -6.7004 -6.6980 -6.6980 -6.4026 -6.4026 -6.4017 -6.4017 -6.1398 -6.1398 -6.1369 -6.1369 -5.9779 -5.9779 -5.9652 -5.9652 -5.7733 -5.7733 -5.7542 -5.7542 -5.5358 -5.5358 -5.5309 -5.5309 -3.7304 -3.7304 -3.7294 -3.7294 -3.6586 -3.6586 -3.6574 -3.6574 -3.4035 -3.4035 -3.4032 -3.4032 -3.2803 -3.2803 -3.2801 -3.2801 3.8870 3.8870 3.8890 3.8890 4.6400 4.6400 4.6408 4.6408 5.2482 5.2482 5.2491 5.2491 k = 0.5000 0.8631-0.2184 ( 11364 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9016 -24.9016 -24.9016 -24.9016 -9.4910 -9.4910 -9.4908 -9.4908 -8.9092 -8.9092 -8.9090 -8.9090 -6.7241 -6.7241 -6.7221 -6.7221 -6.4071 -6.4071 -6.4062 -6.4062 -6.1407 -6.1407 -6.1379 -6.1379 -5.9617 -5.9617 -5.9485 -5.9485 -5.7663 -5.7663 -5.7472 -5.7472 -5.5339 -5.5339 -5.5291 -5.5291 -3.7332 -3.7332 -3.7323 -3.7323 -3.6622 -3.6622 -3.6611 -3.6611 -3.4036 -3.4036 -3.4033 -3.4033 -3.2761 -3.2761 -3.2760 -3.2760 3.8629 3.8629 3.8647 3.8647 4.6386 4.6386 4.6393 4.6393 5.2627 5.2627 5.2636 5.2636 k = 0.5000 0.8658-0.2425 ( 11356 PWs) bands (ev): -24.9742 -24.9742 -24.9742 -24.9742 -24.9016 -24.9016 -24.9016 -24.9016 -9.5005 -9.5005 -9.5004 -9.5004 -8.8926 -8.8926 -8.8924 -8.8924 -6.7462 -6.7462 -6.7447 -6.7447 -6.4111 -6.4111 -6.4103 -6.4103 -6.1416 -6.1416 -6.1390 -6.1390 -5.9461 -5.9461 -5.9329 -5.9329 -5.7597 -5.7597 -5.7410 -5.7410 -5.5321 -5.5321 -5.5274 -5.5274 -3.7359 -3.7359 -3.7350 -3.7350 -3.6656 -3.6656 -3.6648 -3.6648 -3.4033 -3.4033 -3.4030 -3.4030 -3.2723 -3.2723 -3.2723 -3.2723 3.8407 3.8407 3.8423 3.8423 4.6354 4.6354 4.6359 4.6359 5.2758 5.2758 5.2767 5.2767 k = 0.5000 0.8686-0.2665 ( 11346 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.5091 -9.5091 -9.5090 -9.5090 -8.8774 -8.8774 -8.8773 -8.8773 -6.7666 -6.7666 -6.7655 -6.7655 -6.4147 -6.4147 -6.4138 -6.4138 -6.1425 -6.1425 -6.1401 -6.1401 -5.9316 -5.9316 -5.9187 -5.9187 -5.7538 -5.7538 -5.7357 -5.7357 -5.5304 -5.5304 -5.5258 -5.5258 -3.7384 -3.7384 -3.7376 -3.7376 -3.6689 -3.6689 -3.6682 -3.6682 -3.4027 -3.4027 -3.4024 -3.4024 -3.2691 -3.2691 -3.2690 -3.2690 3.8204 3.8204 3.8218 3.8218 4.6312 4.6312 4.6317 4.6317 5.2868 5.2868 5.2876 5.2876 k = 0.5000 0.8713-0.2906 ( 11340 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.5166 -9.5166 -9.5165 -9.5165 -8.8638 -8.8638 -8.8637 -8.8637 -6.7851 -6.7851 -6.7844 -6.7844 -6.4178 -6.4178 -6.4168 -6.4168 -6.1432 -6.1432 -6.1411 -6.1411 -5.9183 -5.9183 -5.9061 -5.9061 -5.7483 -5.7483 -5.7314 -5.7314 -5.5289 -5.5289 -5.5246 -5.5246 -3.7406 -3.7406 -3.7398 -3.7398 -3.6719 -3.6719 -3.6714 -3.6714 -3.4019 -3.4019 -3.4016 -3.4016 -3.2664 -3.2664 -3.2663 -3.2663 3.8020 3.8020 3.8031 3.8031 4.6269 4.6269 4.6273 4.6273 5.2956 5.2956 5.2964 5.2964 k = 0.5000 0.8740-0.3146 ( 11338 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5229 -9.5229 -9.5229 -9.5229 -8.8520 -8.8520 -8.8519 -8.8519 -6.8013 -6.8013 -6.8010 -6.8010 -6.4202 -6.4202 -6.4191 -6.4191 -6.1438 -6.1438 -6.1420 -6.1420 -5.9064 -5.9064 -5.8953 -5.8953 -5.7433 -5.7433 -5.7280 -5.7280 -5.5277 -5.5277 -5.5237 -5.5237 -3.7425 -3.7425 -3.7418 -3.7418 -3.6746 -3.6746 -3.6743 -3.6743 -3.4008 -3.4008 -3.4006 -3.4006 -3.2642 -3.2642 -3.2641 -3.2641 3.7856 3.7856 3.7864 3.7864 4.6229 4.6229 4.6232 4.6232 5.3027 5.3027 5.3034 5.3034 k = 0.5000 0.8740-0.3146 ( 11338 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5229 -9.5229 -9.5229 -9.5229 -8.8520 -8.8520 -8.8519 -8.8519 -6.8013 -6.8013 -6.8010 -6.8010 -6.4202 -6.4202 -6.4191 -6.4191 -6.1438 -6.1438 -6.1420 -6.1420 -5.9064 -5.9064 -5.8953 -5.8953 -5.7433 -5.7433 -5.7280 -5.7280 -5.5277 -5.5277 -5.5237 -5.5237 -3.7425 -3.7425 -3.7418 -3.7418 -3.6746 -3.6746 -3.6743 -3.6743 -3.4008 -3.4008 -3.4006 -3.4006 -3.2642 -3.2642 -3.2641 -3.2641 3.7856 3.7856 3.7864 3.7864 4.6229 4.6229 4.6232 4.6232 5.3027 5.3027 5.3034 5.3034 k = 0.5000 0.8647-0.3334 ( 11346 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5279 -9.5279 -9.5279 -9.5279 -8.8417 -8.8417 -8.8416 -8.8416 -6.8154 -6.8154 -6.8152 -6.8152 -6.4221 -6.4221 -6.4213 -6.4213 -6.1445 -6.1445 -6.1431 -6.1431 -5.8965 -5.8965 -5.8870 -5.8870 -5.7376 -5.7376 -5.7246 -5.7246 -5.5273 -5.5273 -5.5240 -5.5240 -3.7446 -3.7446 -3.7440 -3.7440 -3.6772 -3.6772 -3.6770 -3.6770 -3.3982 -3.3982 -3.3980 -3.3980 -3.2646 -3.2646 -3.2645 -3.2645 3.7698 3.7698 3.7704 3.7704 4.6189 4.6189 4.6191 4.6191 5.3078 5.3078 5.3083 5.3083 k = 0.5000 0.8554-0.3523 ( 11348 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5318 -9.5318 -9.5318 -9.5318 -8.8335 -8.8335 -8.8335 -8.8335 -6.8266 -6.8266 -6.8264 -6.8264 -6.4236 -6.4236 -6.4230 -6.4230 -6.1450 -6.1450 -6.1440 -6.1440 -5.8884 -5.8884 -5.8810 -5.8810 -5.7324 -5.7324 -5.7222 -5.7222 -5.5270 -5.5270 -5.5243 -5.5243 -3.7462 -3.7462 -3.7458 -3.7458 -3.6793 -3.6793 -3.6792 -3.6792 -3.3962 -3.3962 -3.3960 -3.3960 -3.2648 -3.2648 -3.2647 -3.2647 3.7574 3.7574 3.7579 3.7579 4.6155 4.6155 4.6157 4.6157 5.3114 5.3114 5.3119 5.3119 k = 0.5000 0.8461-0.3711 ( 11338 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5346 -9.5346 -9.5346 -9.5346 -8.8276 -8.8276 -8.8275 -8.8275 -6.8347 -6.8347 -6.8345 -6.8345 -6.4247 -6.4247 -6.4243 -6.4243 -6.1453 -6.1453 -6.1446 -6.1446 -5.8823 -5.8823 -5.8772 -5.8772 -5.7280 -5.7280 -5.7209 -5.7209 -5.5266 -5.5266 -5.5248 -5.5248 -3.7474 -3.7474 -3.7472 -3.7472 -3.6808 -3.6808 -3.6807 -3.6807 -3.3947 -3.3947 -3.3945 -3.3945 -3.2650 -3.2650 -3.2650 -3.2650 3.7485 3.7485 3.7488 3.7488 4.6131 4.6131 4.6132 4.6132 5.3139 5.3139 5.3142 5.3142 k = 0.5000 0.8368-0.3899 ( 11344 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5363 -9.5363 -9.5363 -9.5363 -8.8240 -8.8240 -8.8240 -8.8240 -6.8395 -6.8395 -6.8395 -6.8395 -6.4253 -6.4253 -6.4251 -6.4251 -6.1454 -6.1454 -6.1451 -6.1451 -5.8781 -5.8781 -5.8755 -5.8755 -5.7245 -5.7245 -5.7209 -5.7209 -5.5262 -5.5262 -5.5253 -5.5253 -3.7481 -3.7481 -3.7480 -3.7480 -3.6817 -3.6817 -3.6817 -3.6817 -3.3937 -3.3937 -3.3937 -3.3937 -3.2651 -3.2651 -3.2651 -3.2651 3.7432 3.7432 3.7434 3.7434 4.6116 4.6116 4.6116 4.6116 5.3154 5.3154 5.3155 5.3155 k = 0.5000 0.8275-0.4088 ( 11348 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5369 -9.5369 -9.5369 -9.5369 -8.8228 -8.8228 -8.8228 -8.8228 -6.8412 -6.8412 -6.8412 -6.8412 -6.4254 -6.4254 -6.4254 -6.4254 -6.1454 -6.1454 -6.1454 -6.1454 -5.8758 -5.8758 -5.8758 -5.8758 -5.7221 -5.7221 -5.7221 -5.7221 -5.5258 -5.5258 -5.5258 -5.5258 -3.7483 -3.7483 -3.7483 -3.7483 -3.6820 -3.6820 -3.6820 -3.6820 -3.3934 -3.3934 -3.3934 -3.3934 -3.2651 -3.2651 -3.2651 -3.2651 3.7415 3.7415 3.7415 3.7415 4.6111 4.6111 4.6111 4.6111 5.3159 5.3159 5.3159 5.3159 k = 0.5000 0.8275-0.4088 ( 11348 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5369 -9.5369 -9.5369 -9.5369 -8.8228 -8.8228 -8.8228 -8.8228 -6.8412 -6.8412 -6.8412 -6.8412 -6.4254 -6.4254 -6.4254 -6.4254 -6.1454 -6.1454 -6.1454 -6.1454 -5.8758 -5.8758 -5.8758 -5.8758 -5.7221 -5.7221 -5.7221 -5.7221 -5.5258 -5.5258 -5.5258 -5.5258 -3.7483 -3.7483 -3.7483 -3.7483 -3.6820 -3.6820 -3.6820 -3.6820 -3.3934 -3.3934 -3.3934 -3.3934 -3.2651 -3.2651 -3.2651 -3.2651 3.7415 3.7415 3.7415 3.7415 4.6111 4.6111 4.6111 4.6111 5.3159 5.3159 5.3159 5.3159 k = 0.4762 0.8275-0.4088 ( 11344 PWs) bands (ev): -24.9746 -24.9746 -24.9740 -24.9740 -24.9018 -24.9018 -24.9012 -24.9012 -9.5469 -9.5469 -9.5267 -9.5267 -8.8260 -8.8260 -8.8198 -8.8198 -6.8482 -6.8482 -6.8338 -6.8338 -6.4321 -6.4321 -6.4184 -6.4184 -6.1583 -6.1583 -6.1328 -6.1328 -5.8861 -5.8861 -5.8654 -5.8654 -5.7232 -5.7232 -5.7209 -5.7209 -5.5327 -5.5327 -5.5189 -5.5189 -3.7597 -3.7597 -3.7375 -3.7375 -3.6921 -3.6921 -3.6716 -3.6716 -3.4027 -3.4027 -3.3834 -3.3834 -3.2700 -3.2700 -3.2608 -3.2608 3.7110 3.7110 3.7721 3.7721 4.5828 4.5828 4.6418 4.6418 5.2784 5.2784 5.3506 5.3506 k = 0.4524 0.8275-0.4088 ( 11346 PWs) bands (ev): -24.9750 -24.9750 -24.9736 -24.9736 -24.9022 -24.9022 -24.9008 -24.9008 -9.5566 -9.5566 -9.5163 -9.5163 -8.8295 -8.8295 -8.8170 -8.8170 -6.8551 -6.8551 -6.8263 -6.8263 -6.4384 -6.4384 -6.4112 -6.4112 -6.1716 -6.1716 -6.1207 -6.1207 -5.8964 -5.8964 -5.8551 -5.8551 -5.7242 -5.7242 -5.7198 -5.7198 -5.5395 -5.5395 -5.5121 -5.5121 -3.7715 -3.7715 -3.7274 -3.7274 -3.7017 -3.7017 -3.6609 -3.6609 -3.4114 -3.4114 -3.3730 -3.3730 -3.2753 -3.2753 -3.2571 -3.2571 3.6807 3.6807 3.8026 3.8026 4.5572 4.5572 4.6747 4.6747 5.2381 5.2381 5.3829 5.3829 k = 0.4286 0.8275-0.4088 ( 11354 PWs) bands (ev): -24.9753 -24.9753 -24.9733 -24.9733 -24.9025 -24.9025 -24.9005 -24.9005 -9.5660 -9.5660 -9.5057 -9.5057 -8.8333 -8.8333 -8.8146 -8.8146 -6.8616 -6.8616 -6.8186 -6.8186 -6.4444 -6.4444 -6.4037 -6.4037 -6.1850 -6.1850 -6.1090 -6.1090 -5.9064 -5.9064 -5.8449 -5.8449 -5.7252 -5.7252 -5.7186 -5.7186 -5.5464 -5.5464 -5.5054 -5.5054 -3.7835 -3.7835 -3.7195 -3.7195 -3.7094 -3.7094 -3.6499 -3.6499 -3.4195 -3.4195 -3.3622 -3.3622 -3.2811 -3.2811 -3.2540 -3.2540 3.6510 3.6510 3.8328 3.8328 4.5348 4.5348 4.7092 4.7092 5.1952 5.1952 5.4130 5.4130 k = 0.4048 0.8275-0.4088 ( 11356 PWs) bands (ev): -24.9757 -24.9757 -24.9730 -24.9730 -24.9028 -24.9028 -24.9002 -24.9002 -9.5750 -9.5750 -9.4951 -9.4951 -8.8373 -8.8373 -8.8124 -8.8124 -6.8679 -6.8679 -6.8107 -6.8107 -6.4500 -6.4500 -6.3961 -6.3961 -6.1987 -6.1987 -6.0980 -6.0980 -5.9162 -5.9162 -5.8349 -5.8349 -5.7260 -5.7260 -5.7175 -5.7175 -5.5531 -5.5531 -5.4987 -5.4987 -3.7956 -3.7956 -3.7232 -3.7232 -3.7060 -3.7060 -3.6387 -3.6387 -3.4267 -3.4267 -3.3510 -3.3510 -3.2873 -3.2873 -3.2516 -3.2516 3.6218 3.6218 3.8626 3.8626 4.5157 4.5157 4.7452 4.7452 5.1500 5.1500 5.4415 5.4415 k = 0.3810 0.8275-0.4088 ( 11348 PWs) bands (ev): -24.9760 -24.9760 -24.9726 -24.9726 -24.9031 -24.9031 -24.8999 -24.8999 -9.5837 -9.5837 -9.4844 -9.4844 -8.8415 -8.8415 -8.8104 -8.8104 -6.8738 -6.8738 -6.8028 -6.8028 -6.4552 -6.4552 -6.3883 -6.3883 -6.2125 -6.2125 -6.0877 -6.0877 -5.9256 -5.9256 -5.8252 -5.8252 -5.7268 -5.7268 -5.7165 -5.7165 -5.5596 -5.5596 -5.4923 -5.4923 -3.8078 -3.8078 -3.7318 -3.7318 -3.6980 -3.6980 -3.6274 -3.6274 -3.4333 -3.4333 -3.3398 -3.3398 -3.2937 -3.2937 -3.2498 -3.2498 3.5934 3.5934 3.8916 3.8916 4.5002 4.5002 4.7820 4.7820 5.1029 5.1029 5.4690 5.4690 k = 0.3571 0.8275-0.4088 ( 11346 PWs) bands (ev): -24.9763 -24.9763 -24.9723 -24.9723 -24.9034 -24.9034 -24.8996 -24.8996 -9.5920 -9.5920 -9.4738 -9.4738 -8.8459 -8.8459 -8.8086 -8.8086 -6.8794 -6.8794 -6.7947 -6.7947 -6.4598 -6.4598 -6.3805 -6.3805 -6.2264 -6.2264 -6.0782 -6.0782 -5.9343 -5.9343 -5.8157 -5.8157 -5.7275 -5.7275 -5.7155 -5.7155 -5.5660 -5.5660 -5.4860 -5.4860 -3.8198 -3.8198 -3.7406 -3.7406 -3.6901 -3.6901 -3.6159 -3.6159 -3.4390 -3.4390 -3.3286 -3.3286 -3.3001 -3.3001 -3.2487 -3.2487 3.5659 3.5659 3.9197 3.9197 4.4883 4.4883 4.8194 4.8194 5.0547 5.0547 5.4957 5.4957 k = 0.3333 0.8275-0.4088 ( 11350 PWs) bands (ev): -24.9766 -24.9766 -24.9720 -24.9720 -24.9037 -24.9037 -24.8993 -24.8993 -9.5998 -9.5998 -9.4632 -9.4632 -8.8505 -8.8505 -8.8071 -8.8071 -6.8847 -6.8847 -6.7867 -6.7867 -6.4640 -6.4640 -6.3726 -6.3726 -6.2402 -6.2402 -6.0698 -6.0698 -5.9423 -5.9423 -5.8067 -5.8067 -5.7280 -5.7280 -5.7148 -5.7148 -5.5721 -5.5721 -5.4799 -5.4799 -3.8317 -3.8317 -3.7494 -3.7494 -3.6827 -3.6827 -3.6045 -3.6045 -3.4440 -3.4440 -3.3188 -3.3188 -3.3055 -3.3055 -3.2482 -3.2482 3.5395 3.5395 3.9467 3.9467 4.4803 4.4803 4.8570 4.8570 5.0057 5.0057 5.5219 5.5219 k = 0.3095 0.8275-0.4088 ( 11352 PWs) bands (ev): -24.9769 -24.9769 -24.9717 -24.9717 -24.9040 -24.9040 -24.8990 -24.8990 -9.6073 -9.6073 -9.4529 -9.4529 -8.8552 -8.8552 -8.8058 -8.8058 -6.8896 -6.8896 -6.7787 -6.7787 -6.4677 -6.4677 -6.3648 -6.3648 -6.2540 -6.2540 -6.0626 -6.0626 -5.9491 -5.9491 -5.7980 -5.7980 -5.7284 -5.7284 -5.7142 -5.7142 -5.5779 -5.5779 -5.4741 -5.4741 -3.8432 -3.8432 -3.7578 -3.7578 -3.6758 -3.6758 -3.5930 -3.5930 -3.4482 -3.4482 -3.3174 -3.3174 -3.3027 -3.3027 -3.2483 -3.2483 3.5143 3.5143 3.9724 3.9724 4.4762 4.4762 4.8943 4.8943 4.9566 4.9566 5.5476 5.5476 k = 0.2857 0.8275-0.4088 ( 11348 PWs) bands (ev): -24.9771 -24.9771 -24.9714 -24.9714 -24.9043 -24.9043 -24.8987 -24.8987 -9.6142 -9.6142 -9.4427 -9.4427 -8.8600 -8.8600 -8.8047 -8.8047 -6.8942 -6.8942 -6.7707 -6.7707 -6.4708 -6.4708 -6.3570 -6.3570 -6.2677 -6.2677 -6.0571 -6.0571 -5.9546 -5.9546 -5.7899 -5.7899 -5.7287 -5.7287 -5.7138 -5.7138 -5.5834 -5.5834 -5.4686 -5.4686 -3.8543 -3.8543 -3.7660 -3.7660 -3.6694 -3.6694 -3.5818 -3.5818 -3.4517 -3.4517 -3.3233 -3.3233 -3.2932 -3.2932 -3.2487 -3.2487 3.4903 3.4903 3.9967 3.9967 4.4758 4.4758 4.9079 4.9079 4.9312 4.9312 5.5727 5.5727 k = 0.2619 0.8275-0.4088 ( 11338 PWs) bands (ev): -24.9774 -24.9774 -24.9712 -24.9712 -24.9045 -24.9045 -24.8985 -24.8985 -9.6206 -9.6206 -9.4329 -9.4329 -8.8647 -8.8647 -8.8037 -8.8037 -6.8985 -6.8985 -6.7630 -6.7630 -6.4733 -6.4733 -6.3495 -6.3495 -6.2810 -6.2810 -6.0534 -6.0534 -5.9584 -5.9584 -5.7823 -5.7823 -5.7288 -5.7288 -5.7138 -5.7138 -5.5884 -5.5884 -5.4633 -5.4633 -3.8648 -3.8648 -3.7738 -3.7738 -3.6636 -3.6636 -3.5707 -3.5707 -3.4545 -3.4545 -3.3301 -3.3301 -3.2837 -3.2837 -3.2494 -3.2494 3.4679 3.4679 4.0195 4.0195 4.4789 4.4789 4.8603 4.8603 4.9673 4.9673 5.5967 5.5967 k = 0.2381 0.8275-0.4088 ( 11330 PWs) bands (ev): -24.9776 -24.9776 -24.9709 -24.9709 -24.9048 -24.9048 -24.8983 -24.8983 -9.6266 -9.6266 -9.4235 -9.4235 -8.8694 -8.8694 -8.8029 -8.8029 -6.9024 -6.9024 -6.7555 -6.7555 -6.4752 -6.4752 -6.3423 -6.3423 -6.2939 -6.2939 -6.0518 -6.0518 -5.9603 -5.9603 -5.7753 -5.7753 -5.7287 -5.7287 -5.7139 -5.7139 -5.5930 -5.5930 -5.4584 -5.4584 -3.8748 -3.8748 -3.7812 -3.7812 -3.6582 -3.6582 -3.5599 -3.5599 -3.4566 -3.4566 -3.3369 -3.3369 -3.2754 -3.2754 -3.2495 -3.2495 3.4469 3.4469 4.0409 4.0409 4.4851 4.4851 4.8139 4.8139 5.0022 5.0022 5.5998 5.5998 k = 0.2143 0.8275-0.4088 ( 11332 PWs) bands (ev): -24.9779 -24.9779 -24.9707 -24.9707 -24.9050 -24.9050 -24.8980 -24.8980 -9.6320 -9.6320 -9.4146 -9.4146 -8.8741 -8.8741 -8.8022 -8.8022 -6.9059 -6.9059 -6.7483 -6.7483 -6.4766 -6.4766 -6.3358 -6.3358 -6.3061 -6.3061 -6.0520 -6.0520 -5.9605 -5.9605 -5.7690 -5.7690 -5.7284 -5.7284 -5.7144 -5.7144 -5.5972 -5.5972 -5.4539 -5.4539 -3.8840 -3.8840 -3.7882 -3.7882 -3.6534 -3.6534 -3.5495 -3.5495 -3.4582 -3.4582 -3.3437 -3.3437 -3.2698 -3.2698 -3.2479 -3.2479 3.4277 3.4277 4.0608 4.0608 4.4940 4.4940 4.7695 4.7695 5.0358 5.0358 5.5925 5.5925 k = 0.1905 0.8275-0.4088 ( 11336 PWs) bands (ev): -24.9781 -24.9781 -24.9705 -24.9705 -24.9052 -24.9052 -24.8979 -24.8979 -9.6369 -9.6369 -9.4062 -9.4062 -8.8785 -8.8785 -8.8017 -8.8017 -6.9090 -6.9090 -6.7415 -6.7415 -6.4773 -6.4773 -6.3314 -6.3314 -6.3159 -6.3159 -6.0539 -6.0539 -5.9591 -5.9591 -5.7635 -5.7635 -5.7280 -5.7280 -5.7151 -5.7151 -5.6008 -5.6008 -5.4497 -5.4497 -3.8925 -3.8925 -3.7946 -3.7946 -3.6491 -3.6491 -3.5395 -3.5395 -3.4591 -3.4591 -3.3502 -3.3502 -3.2680 -3.2680 -3.2435 -3.2435 3.4102 3.4102 4.0794 4.0794 4.5048 4.5048 4.7274 4.7274 5.0678 5.0678 5.5872 5.5872 k = 0.1667 0.8275-0.4088 ( 11342 PWs) bands (ev): -24.9782 -24.9782 -24.9703 -24.9703 -24.9054 -24.9054 -24.8977 -24.8977 -9.6412 -9.6412 -9.3986 -9.3986 -8.8827 -8.8827 -8.8012 -8.8012 -6.9118 -6.9118 -6.7353 -6.7353 -6.4775 -6.4775 -6.3352 -6.3352 -6.3173 -6.3173 -6.0568 -6.0568 -5.9567 -5.9567 -5.7588 -5.7588 -5.7273 -5.7273 -5.7160 -5.7160 -5.6040 -5.6040 -5.4460 -5.4460 -3.9001 -3.9001 -3.8005 -3.8005 -3.6453 -3.6453 -3.5302 -3.5302 -3.4596 -3.4596 -3.3563 -3.3563 -3.2690 -3.2690 -3.2375 -3.2375 3.3945 3.3945 4.0968 4.0968 4.5168 4.5168 4.6881 4.6881 5.0979 5.0979 5.5837 5.5837 k = 0.1429 0.8275-0.4088 ( 11334 PWs) bands (ev): -24.9784 -24.9784 -24.9701 -24.9701 -24.9055 -24.9055 -24.8975 -24.8975 -9.6450 -9.6450 -9.3917 -9.3917 -8.8865 -8.8865 -8.8009 -8.8009 -6.9142 -6.9142 -6.7296 -6.7296 -6.4771 -6.4771 -6.3445 -6.3445 -6.3131 -6.3131 -6.0603 -6.0603 -5.9538 -5.9538 -5.7548 -5.7548 -5.7264 -5.7264 -5.7171 -5.7171 -5.6066 -5.6066 -5.4427 -5.4427 -3.9068 -3.9068 -3.8057 -3.8057 -3.6420 -3.6420 -3.5217 -3.5217 -3.4597 -3.4597 -3.3620 -3.3620 -3.2712 -3.2712 -3.2312 -3.2312 3.3808 3.3808 4.1130 4.1130 4.5290 4.5290 4.6522 4.6522 5.1256 5.1256 5.5819 5.5819 k = 0.1190 0.8275-0.4088 ( 11340 PWs) bands (ev): -24.9785 -24.9785 -24.9700 -24.9700 -24.9057 -24.9057 -24.8974 -24.8974 -9.6482 -9.6482 -9.3857 -9.3857 -8.8899 -8.8899 -8.8006 -8.8006 -6.9163 -6.9163 -6.7246 -6.7246 -6.4762 -6.4762 -6.3540 -6.3540 -6.3084 -6.3084 -6.0640 -6.0640 -5.9507 -5.9507 -5.7517 -5.7517 -5.7254 -5.7254 -5.7183 -5.7183 -5.6088 -5.6088 -5.4399 -5.4399 -3.9126 -3.9126 -3.8102 -3.8102 -3.6392 -3.6392 -3.5141 -3.5141 -3.4595 -3.4595 -3.3671 -3.3671 -3.2738 -3.2738 -3.2254 -3.2254 3.3690 3.3690 4.1278 4.1278 4.5403 4.5403 4.6207 4.6207 5.1505 5.1505 5.5814 5.5814 k = 0.0952 0.8275-0.4088 ( 11338 PWs) bands (ev): -24.9786 -24.9786 -24.9699 -24.9699 -24.9058 -24.9058 -24.8973 -24.8973 -9.6508 -9.6508 -9.3806 -9.3806 -8.8928 -8.8928 -8.8004 -8.8004 -6.9180 -6.9180 -6.7204 -6.7204 -6.4751 -6.4751 -6.3625 -6.3625 -6.3042 -6.3042 -6.0675 -6.0675 -5.9478 -5.9478 -5.7493 -5.7493 -5.7243 -5.7243 -5.7194 -5.7194 -5.6105 -5.6105 -5.4375 -5.4375 -3.9174 -3.9174 -3.8139 -3.8139 -3.6369 -3.6369 -3.5075 -3.5075 -3.4590 -3.4590 -3.3716 -3.3716 -3.2765 -3.2765 -3.2203 -3.2203 3.3593 3.3593 4.1412 4.1412 4.5484 4.5484 4.5955 4.5955 5.1721 5.1721 5.5820 5.5820 k = 0.0714 0.8275-0.4088 ( 11352 PWs) bands (ev): -24.9787 -24.9787 -24.9698 -24.9698 -24.9059 -24.9059 -24.8972 -24.8972 -9.6529 -9.6529 -9.3766 -9.3766 -8.8951 -8.8951 -8.8002 -8.8002 -6.9193 -6.9193 -6.7170 -6.7170 -6.4738 -6.4738 -6.3697 -6.3697 -6.3007 -6.3007 -6.0705 -6.0705 -5.9454 -5.9454 -5.7476 -5.7476 -5.7233 -5.7233 -5.7204 -5.7204 -5.6117 -5.6117 -5.4357 -5.4357 -3.9211 -3.9211 -3.8169 -3.8169 -3.6351 -3.6351 -3.5021 -3.5021 -3.4585 -3.4585 -3.3752 -3.3752 -3.2788 -3.2788 -3.2163 -3.2163 3.3517 3.3517 4.1525 4.1525 4.5482 4.5482 4.5820 4.5820 5.1897 5.1897 5.5831 5.5831 k = 0.0476 0.8275-0.4088 ( 11354 PWs) bands (ev): -24.9788 -24.9788 -24.9697 -24.9697 -24.9059 -24.9059 -24.8972 -24.8972 -9.6543 -9.6543 -9.3737 -9.3737 -8.8968 -8.8968 -8.8001 -8.8001 -6.9202 -6.9202 -6.7146 -6.7146 -6.4725 -6.4725 -6.3752 -6.3752 -6.2981 -6.2981 -6.0727 -6.0727 -5.9435 -5.9435 -5.7465 -5.7465 -5.7225 -5.7225 -5.7212 -5.7212 -5.6126 -5.6126 -5.4344 -5.4344 -3.9238 -3.9238 -3.8191 -3.8191 -3.6338 -3.6338 -3.4982 -3.4982 -3.4581 -3.4581 -3.3779 -3.3779 -3.2807 -3.2807 -3.2134 -3.2134 3.3463 3.3463 4.1613 4.1613 4.5388 4.5388 4.5813 4.5813 5.2029 5.2029 5.5844 5.5844 k = 0.0238 0.8275-0.4088 ( 11346 PWs) bands (ev): -24.9788 -24.9788 -24.9697 -24.9697 -24.9060 -24.9060 -24.8971 -24.8971 -9.6552 -9.6552 -9.3719 -9.3719 -8.8979 -8.8979 -8.8001 -8.8001 -6.9208 -6.9208 -6.7131 -6.7131 -6.4717 -6.4717 -6.3787 -6.3787 -6.2964 -6.2964 -6.0742 -6.0742 -5.9423 -5.9423 -5.7458 -5.7458 -5.7220 -5.7220 -5.7217 -5.7217 -5.6132 -5.6132 -5.4335 -5.4335 -3.9255 -3.9255 -3.8204 -3.8204 -3.6330 -3.6330 -3.4958 -3.4958 -3.4577 -3.4577 -3.3796 -3.3796 -3.2819 -3.2819 -3.2116 -3.2116 3.3430 3.3430 4.1669 4.1669 4.5301 4.5301 4.5836 4.5836 5.2111 5.2111 5.5853 5.5853 k = 0.0000 0.8275-0.4088 ( 11348 PWs) bands (ev): -24.9788 -24.9788 -24.9697 -24.9697 -24.9060 -24.9060 -24.8971 -24.8971 -9.6555 -9.6555 -9.3713 -9.3713 -8.8982 -8.8982 -8.8000 -8.8000 -6.9210 -6.9210 -6.7126 -6.7126 -6.4714 -6.4714 -6.3799 -6.3799 -6.2959 -6.2959 -6.0746 -6.0746 -5.9419 -5.9419 -5.7456 -5.7456 -5.7221 -5.7221 -5.7217 -5.7217 -5.6133 -5.6133 -5.4333 -5.4333 -3.9260 -3.9260 -3.8208 -3.8208 -3.6328 -3.6328 -3.4949 -3.4949 -3.4576 -3.4576 -3.3802 -3.3802 -3.2823 -3.2823 -3.2110 -3.2110 3.3419 3.3419 4.1689 4.1689 4.5269 4.5269 4.5847 4.5847 5.2138 5.2138 5.5857 5.5857 k = 0.0000 0.8275-0.4088 ( 11348 PWs) bands (ev): -24.9788 -24.9788 -24.9697 -24.9697 -24.9060 -24.9060 -24.8971 -24.8971 -9.6555 -9.6555 -9.3713 -9.3713 -8.8982 -8.8982 -8.8000 -8.8000 -6.9210 -6.9210 -6.7126 -6.7126 -6.4714 -6.4714 -6.3799 -6.3799 -6.2959 -6.2959 -6.0746 -6.0746 -5.9419 -5.9419 -5.7456 -5.7456 -5.7221 -5.7221 -5.7217 -5.7217 -5.6133 -5.6133 -5.4333 -5.4333 -3.9260 -3.9260 -3.8208 -3.8208 -3.6328 -3.6328 -3.4949 -3.4949 -3.4576 -3.4576 -3.3802 -3.3802 -3.2823 -3.2823 -3.2110 -3.2110 3.3419 3.3419 4.1689 4.1689 4.5269 4.5269 4.5847 4.5847 5.2138 5.2138 5.5857 5.5857 k = 0.0000 0.8368-0.3899 ( 11341 PWs) bands (ev): -24.9788 -24.9788 -24.9697 -24.9697 -24.9060 -24.9060 -24.8971 -24.8971 -9.6549 -9.6549 -9.3707 -9.3707 -8.9000 -8.9000 -8.8008 -8.8008 -6.9193 -6.9193 -6.7110 -6.7110 -6.4711 -6.4711 -6.3796 -6.3796 -6.2958 -6.2958 -6.0754 -6.0754 -5.9419 -5.9419 -5.7479 -5.7479 -5.7276 -5.7276 -5.7163 -5.7163 -5.6129 -5.6129 -5.4336 -5.4336 -3.9257 -3.9257 -3.8204 -3.8204 -3.6325 -3.6325 -3.4953 -3.4953 -3.4573 -3.4573 -3.3806 -3.3806 -3.2820 -3.2820 -3.2110 -3.2110 3.3439 3.3439 4.1705 4.1705 4.5275 4.5275 4.5855 4.5855 5.2141 5.2141 5.5678 5.5678 k = 0.0000 0.8461-0.3711 ( 11341 PWs) bands (ev): -24.9788 -24.9788 -24.9697 -24.9697 -24.9059 -24.9059 -24.8972 -24.8972 -9.6530 -9.6530 -9.3689 -9.3689 -8.9051 -8.9051 -8.8030 -8.8030 -6.9144 -6.9144 -6.7063 -6.7063 -6.4704 -6.4704 -6.3787 -6.3787 -6.2955 -6.2955 -6.0775 -6.0775 -5.9419 -5.9419 -5.7545 -5.7545 -5.7331 -5.7331 -5.7116 -5.7116 -5.6118 -5.6118 -5.4344 -5.4344 -3.9247 -3.9247 -3.8194 -3.8194 -3.6317 -3.6317 -3.4963 -3.4963 -3.4566 -3.4566 -3.3820 -3.3820 -3.2813 -3.2813 -3.2110 -3.2110 3.3499 3.3499 4.1755 4.1755 4.5294 4.5294 4.5882 4.5882 5.2151 5.2151 5.5250 5.5250 k = 0.0000 0.8554-0.3523 ( 11346 PWs) bands (ev): -24.9787 -24.9787 -24.9698 -24.9698 -24.9059 -24.9059 -24.8972 -24.8972 -9.6499 -9.6499 -9.3660 -9.3660 -8.9134 -8.9134 -8.8067 -8.8067 -6.9063 -6.9063 -6.6986 -6.6986 -6.4692 -6.4692 -6.3773 -6.3773 -6.2950 -6.2950 -6.0812 -6.0812 -5.9418 -5.9418 -5.7644 -5.7644 -5.7392 -5.7392 -5.7080 -5.7080 -5.6100 -5.6100 -5.4358 -5.4358 -3.9231 -3.9231 -3.8176 -3.8176 -3.6304 -3.6304 -3.4981 -3.4981 -3.4553 -3.4553 -3.3842 -3.3842 -3.2802 -3.2802 -3.2110 -3.2110 3.3599 3.3599 4.1837 4.1837 4.5324 4.5324 4.5926 4.5926 5.2167 5.2167 5.4694 5.4694 k = 0.0000 0.8647-0.3334 ( 11359 PWs) bands (ev): -24.9786 -24.9786 -24.9699 -24.9699 -24.9058 -24.9058 -24.8973 -24.8973 -9.6455 -9.6455 -9.3618 -9.3618 -8.9246 -8.9246 -8.8121 -8.8121 -6.8950 -6.8950 -6.6881 -6.6881 -6.4675 -6.4675 -6.3752 -6.3752 -6.2942 -6.2942 -6.0864 -6.0864 -5.9417 -5.9417 -5.7764 -5.7764 -5.7463 -5.7463 -5.7057 -5.7057 -5.6074 -5.6074 -5.4378 -5.4378 -3.9209 -3.9209 -3.8152 -3.8152 -3.6286 -3.6286 -3.5004 -3.5004 -3.4537 -3.4537 -3.3871 -3.3871 -3.2788 -3.2788 -3.2110 -3.2110 3.3739 3.3739 4.1951 4.1951 4.5364 4.5364 4.5987 4.5987 5.2189 5.2189 5.4063 5.4063 k = 0.0000 0.8740-0.3146 ( 11357 PWs) bands (ev): -24.9785 -24.9785 -24.9700 -24.9700 -24.9057 -24.9057 -24.8974 -24.8974 -9.6398 -9.6398 -9.3565 -9.3565 -8.9385 -8.9385 -8.8192 -8.8192 -6.8807 -6.8807 -6.6749 -6.6749 -6.4654 -6.4654 -6.3727 -6.3727 -6.2931 -6.2931 -6.0932 -6.0932 -5.9416 -5.9416 -5.7900 -5.7900 -5.7550 -5.7550 -5.7047 -5.7047 -5.6043 -5.6043 -5.4403 -5.4403 -3.9181 -3.9181 -3.8121 -3.8121 -3.6263 -3.6263 -3.5032 -3.5032 -3.4519 -3.4519 -3.3906 -3.3906 -3.2771 -3.2771 -3.2110 -3.2110 3.3917 3.3917 4.2097 4.2097 4.5413 4.5413 4.6066 4.6066 5.2216 5.2216 5.3380 5.3380 k = 0.5000 0.7810 0.5029 ( 11338 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9015 -24.9015 -24.9015 -24.9015 -9.5229 -9.5229 -9.5229 -9.5229 -8.8520 -8.8520 -8.8519 -8.8519 -6.8013 -6.8013 -6.8010 -6.8010 -6.4202 -6.4202 -6.4191 -6.4191 -6.1438 -6.1438 -6.1420 -6.1420 -5.9064 -5.9064 -5.8953 -5.8953 -5.7433 -5.7433 -5.7280 -5.7280 -5.5277 -5.5277 -5.5237 -5.5237 -3.7425 -3.7425 -3.7418 -3.7418 -3.6746 -3.6746 -3.6743 -3.6743 -3.4008 -3.4008 -3.4006 -3.4006 -3.2642 -3.2642 -3.2641 -3.2641 3.7856 3.7856 3.7864 3.7864 4.6229 4.6229 4.6232 4.6232 5.3027 5.3027 5.3034 5.3034 k = 0.5000 0.7566 0.5029 ( 11340 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.5207 -9.5207 -9.5207 -9.5207 -8.8584 -8.8584 -8.8584 -8.8584 -6.7939 -6.7939 -6.7936 -6.7936 -6.4187 -6.4187 -6.4169 -6.4169 -6.1426 -6.1426 -6.1406 -6.1406 -5.9112 -5.9112 -5.8991 -5.8991 -5.7480 -5.7480 -5.7313 -5.7313 -5.5266 -5.5266 -5.5222 -5.5222 -3.7400 -3.7400 -3.7393 -3.7393 -3.6724 -3.6724 -3.6722 -3.6722 -3.4049 -3.4049 -3.4047 -3.4047 -3.2599 -3.2599 -3.2597 -3.2597 3.7966 3.7966 3.7974 3.7974 4.6269 4.6269 4.6274 4.6274 5.3020 5.3020 5.3027 5.3027 k = 0.5000 0.7322 0.5029 ( 11346 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.5184 -9.5184 -9.5184 -9.5184 -8.8658 -8.8658 -8.8658 -8.8658 -6.7871 -6.7871 -6.7862 -6.7862 -6.4162 -6.4162 -6.4137 -6.4137 -6.1409 -6.1409 -6.1387 -6.1387 -5.9162 -5.9162 -5.9032 -5.9032 -5.7528 -5.7528 -5.7350 -5.7350 -5.5256 -5.5256 -5.5208 -5.5208 -3.7369 -3.7369 -3.7361 -3.7361 -3.6700 -3.6700 -3.6700 -3.6700 -3.4091 -3.4091 -3.4088 -3.4088 -3.2547 -3.2547 -3.2543 -3.2543 3.8070 3.8070 3.8077 3.8077 4.6330 4.6330 4.6335 4.6335 5.3035 5.3035 5.3043 5.3043 k = 0.5000 0.7078 0.5029 ( 11332 PWs) bands (ev): -24.9743 -24.9743 -24.9743 -24.9743 -24.9016 -24.9016 -24.9016 -24.9016 -9.5160 -9.5160 -9.5160 -9.5160 -8.8741 -8.8741 -8.8740 -8.8740 -6.7805 -6.7805 -6.7791 -6.7791 -6.4127 -6.4127 -6.4096 -6.4096 -6.1386 -6.1386 -6.1361 -6.1361 -5.9213 -5.9213 -5.9077 -5.9077 -5.7574 -5.7574 -5.7387 -5.7387 -5.5245 -5.5245 -5.5194 -5.5194 -3.7331 -3.7331 -3.7323 -3.7323 -3.6676 -3.6676 -3.6674 -3.6674 -3.4130 -3.4130 -3.4127 -3.4127 -3.2486 -3.2486 -3.2483 -3.2483 3.8166 3.8166 3.8172 3.8172 4.6411 4.6411 4.6417 4.6417 5.3074 5.3074 5.3082 5.3082 k = 0.5000 0.6834 0.5029 ( 11334 PWs) bands (ev): -24.9744 -24.9744 -24.9744 -24.9744 -24.9017 -24.9017 -24.9017 -24.9017 -9.5135 -9.5135 -9.5135 -9.5135 -8.8833 -8.8833 -8.8831 -8.8831 -6.7743 -6.7743 -6.7723 -6.7723 -6.4084 -6.4084 -6.4047 -6.4047 -6.1355 -6.1355 -6.1330 -6.1330 -5.9268 -5.9268 -5.9127 -5.9127 -5.7618 -5.7618 -5.7425 -5.7425 -5.5235 -5.5235 -5.5182 -5.5182 -3.7289 -3.7289 -3.7281 -3.7281 -3.6650 -3.6650 -3.6646 -3.6646 -3.4165 -3.4165 -3.4163 -3.4163 -3.2421 -3.2421 -3.2416 -3.2416 3.8254 3.8254 3.8260 3.8260 4.6514 4.6514 4.6520 4.6520 5.3134 5.3134 5.3143 5.3143 k = 0.5000 0.6590 0.5029 ( 11328 PWs) bands (ev): -24.9744 -24.9744 -24.9744 -24.9744 -24.9017 -24.9017 -24.9017 -24.9017 -9.5109 -9.5109 -9.5108 -9.5108 -8.8933 -8.8933 -8.8930 -8.8930 -6.7682 -6.7682 -6.7658 -6.7658 -6.4035 -6.4035 -6.3992 -6.3992 -6.1318 -6.1318 -6.1291 -6.1291 -5.9327 -5.9327 -5.9183 -5.9183 -5.7659 -5.7659 -5.7462 -5.7462 -5.5226 -5.5226 -5.5171 -5.5171 -3.7244 -3.7244 -3.7235 -3.7235 -3.6621 -3.6621 -3.6615 -3.6615 -3.4193 -3.4193 -3.4191 -3.4191 -3.2351 -3.2351 -3.2346 -3.2346 3.8335 3.8335 3.8339 3.8339 4.6639 4.6639 4.6646 4.6646 5.3214 5.3214 5.3223 5.3223 k = 0.5000 0.6346 0.5029 ( 11334 PWs) bands (ev): -24.9744 -24.9744 -24.9744 -24.9744 -24.9017 -24.9017 -24.9017 -24.9017 -9.5081 -9.5081 -9.5081 -9.5081 -8.9040 -8.9040 -8.9037 -8.9037 -6.7623 -6.7623 -6.7595 -6.7595 -6.3982 -6.3982 -6.3935 -6.3935 -6.1272 -6.1272 -6.1244 -6.1244 -5.9389 -5.9389 -5.9245 -5.9245 -5.7694 -5.7694 -5.7497 -5.7497 -5.5218 -5.5218 -5.5162 -5.5162 -3.7199 -3.7199 -3.7190 -3.7190 -3.6588 -3.6588 -3.6581 -3.6581 -3.4212 -3.4212 -3.4212 -3.4212 -3.2278 -3.2278 -3.2273 -3.2273 3.8408 3.8408 3.8412 3.8412 4.6787 4.6787 4.6795 4.6795 5.3311 5.3311 5.3320 5.3320 k = 0.5000 0.6102 0.5029 ( 11330 PWs) bands (ev): -24.9745 -24.9745 -24.9745 -24.9745 -24.9018 -24.9018 -24.9018 -24.9018 -9.5053 -9.5053 -9.5052 -9.5052 -8.9153 -8.9153 -8.9150 -8.9150 -6.7565 -6.7565 -6.7533 -6.7533 -6.3926 -6.3926 -6.3876 -6.3876 -6.1217 -6.1217 -6.1189 -6.1189 -5.9456 -5.9456 -5.9313 -5.9313 -5.7724 -5.7724 -5.7529 -5.7529 -5.5211 -5.5211 -5.5155 -5.5155 -3.7155 -3.7155 -3.7147 -3.7147 -3.6551 -3.6551 -3.6541 -3.6541 -3.4223 -3.4223 -3.4222 -3.4222 -3.2203 -3.2203 -3.2199 -3.2199 3.8475 3.8475 3.8478 3.8478 4.6959 4.6959 4.6967 4.6967 5.3422 5.3422 5.3431 5.3431 k = 0.5000 0.5858 0.5029 ( 11354 PWs) bands (ev): -24.9745 -24.9745 -24.9745 -24.9745 -24.9018 -24.9018 -24.9018 -24.9018 -9.5023 -9.5023 -9.5022 -9.5022 -8.9273 -8.9273 -8.9270 -8.9270 -6.7508 -6.7508 -6.7472 -6.7472 -6.3871 -6.3871 -6.3819 -6.3819 -6.1152 -6.1152 -6.1124 -6.1124 -5.9527 -5.9527 -5.9388 -5.9388 -5.7749 -5.7749 -5.7558 -5.7558 -5.5206 -5.5206 -5.5150 -5.5150 -3.7117 -3.7117 -3.7109 -3.7109 -3.6508 -3.6508 -3.6496 -3.6496 -3.4222 -3.4222 -3.4220 -3.4220 -3.2129 -3.2129 -3.2124 -3.2124 3.8537 3.8537 3.8539 3.8539 4.7155 4.7155 4.7162 4.7162 5.3544 5.3544 5.3552 5.3552 k = 0.5000 0.5614 0.5029 ( 11346 PWs) bands (ev): -24.9746 -24.9746 -24.9746 -24.9746 -24.9019 -24.9019 -24.9019 -24.9019 -9.4991 -9.4991 -9.4991 -9.4991 -8.9399 -8.9399 -8.9395 -8.9395 -6.7449 -6.7449 -6.7411 -6.7411 -6.3819 -6.3819 -6.3765 -6.3765 -6.1076 -6.1076 -6.1050 -6.1050 -5.9602 -5.9602 -5.9469 -5.9469 -5.7768 -5.7768 -5.7583 -5.7583 -5.5202 -5.5202 -5.5146 -5.5146 -3.7086 -3.7086 -3.7078 -3.7078 -3.6459 -3.6459 -3.6445 -3.6445 -3.4208 -3.4208 -3.4204 -3.4204 -3.2054 -3.2054 -3.2049 -3.2049 3.8595 3.8595 3.8596 3.8596 4.7374 4.7374 4.7381 4.7381 5.3670 5.3670 5.3678 5.3678 k = 0.5000 0.5370 0.5029 ( 11352 PWs) bands (ev): -24.9747 -24.9747 -24.9747 -24.9747 -24.9019 -24.9019 -24.9019 -24.9019 -9.4958 -9.4958 -9.4958 -9.4958 -8.9529 -8.9529 -8.9525 -8.9525 -6.7390 -6.7390 -6.7348 -6.7348 -6.3771 -6.3771 -6.3717 -6.3717 -6.0991 -6.0991 -6.0967 -6.0967 -5.9682 -5.9682 -5.9556 -5.9556 -5.7781 -5.7781 -5.7604 -5.7604 -5.5200 -5.5200 -5.5145 -5.5145 -3.7063 -3.7063 -3.7057 -3.7057 -3.6402 -3.6402 -3.6388 -3.6388 -3.4180 -3.4180 -3.4175 -3.4175 -3.1981 -3.1981 -3.1976 -3.1976 3.8651 3.8651 3.8652 3.8652 4.7616 4.7616 4.7623 4.7623 5.3786 5.3786 5.3791 5.3791 k = 0.5000 0.5126 0.5029 ( 11344 PWs) bands (ev): -24.9747 -24.9747 -24.9747 -24.9747 -24.9020 -24.9020 -24.9020 -24.9020 -9.4923 -9.4923 -9.4923 -9.4923 -8.9663 -8.9663 -8.9659 -8.9659 -6.7328 -6.7328 -6.7285 -6.7285 -6.3730 -6.3730 -6.3676 -6.3676 -6.0895 -6.0895 -6.0874 -6.0874 -5.9766 -5.9766 -5.9647 -5.9647 -5.7788 -5.7788 -5.7622 -5.7622 -5.5199 -5.5199 -5.5145 -5.5145 -3.7050 -3.7050 -3.7045 -3.7045 -3.6340 -3.6340 -3.6325 -3.6325 -3.4139 -3.4139 -3.4132 -3.4132 -3.1909 -3.1909 -3.1905 -3.1905 3.8707 3.8707 3.8709 3.8709 4.7879 4.7879 4.7886 4.7886 5.3716 5.3716 5.3721 5.3721 k = 0.5000 0.4881 0.5029 ( 11334 PWs) bands (ev): -24.9748 -24.9748 -24.9748 -24.9748 -24.9021 -24.9021 -24.9021 -24.9021 -9.4887 -9.4887 -9.4887 -9.4887 -8.9800 -8.9800 -8.9796 -8.9796 -6.7264 -6.7264 -6.7219 -6.7219 -6.3695 -6.3695 -6.3644 -6.3644 -6.0790 -6.0790 -6.0772 -6.0772 -5.9852 -5.9852 -5.9743 -5.9743 -5.7792 -5.7792 -5.7636 -5.7636 -5.5200 -5.5200 -5.5147 -5.5147 -3.7045 -3.7045 -3.7042 -3.7042 -3.6272 -3.6272 -3.6257 -3.6257 -3.4082 -3.4082 -3.4074 -3.4074 -3.1840 -3.1840 -3.1836 -3.1836 3.8765 3.8765 3.8768 3.8768 4.8162 4.8162 4.8168 4.8168 5.3432 5.3432 5.3442 5.3442 k = 0.5000 0.4637 0.5029 ( 11332 PWs) bands (ev): -24.9748 -24.9748 -24.9748 -24.9748 -24.9021 -24.9021 -24.9021 -24.9021 -9.4849 -9.4849 -9.4849 -9.4849 -8.9940 -8.9940 -8.9936 -8.9936 -6.7197 -6.7197 -6.7151 -6.7151 -6.3669 -6.3669 -6.3620 -6.3620 -6.0676 -6.0676 -6.0663 -6.0663 -5.9940 -5.9940 -5.9841 -5.9841 -5.7792 -5.7792 -5.7647 -5.7647 -5.5203 -5.5203 -5.5151 -5.5151 -3.7049 -3.7049 -3.7047 -3.7047 -3.6202 -3.6202 -3.6186 -3.6186 -3.4012 -3.4012 -3.4003 -3.4003 -3.1775 -3.1775 -3.1771 -3.1771 3.8828 3.8828 3.8832 3.8832 4.8461 4.8461 4.8467 4.8467 5.3132 5.3132 5.3144 5.3144 k = 0.5000 0.4393 0.5029 ( 11326 PWs) bands (ev): -24.9749 -24.9749 -24.9749 -24.9749 -24.9022 -24.9022 -24.9022 -24.9022 -9.4810 -9.4810 -9.4810 -9.4810 -9.0082 -9.0082 -9.0078 -9.0078 -6.7127 -6.7127 -6.7081 -6.7081 -6.3651 -6.3651 -6.3605 -6.3605 -6.0557 -6.0557 -6.0550 -6.0550 -6.0028 -6.0028 -5.9940 -5.9940 -5.7788 -5.7788 -5.7655 -5.7655 -5.5206 -5.5206 -5.5157 -5.5157 -3.7060 -3.7060 -3.7059 -3.7059 -3.6129 -3.6129 -3.6114 -3.6114 -3.3928 -3.3928 -3.3918 -3.3918 -3.1713 -3.1713 -3.1709 -3.1709 3.8898 3.8898 3.8903 3.8903 4.8771 4.8771 4.8776 4.8776 5.2834 5.2834 5.2847 5.2847 k = 0.5000 0.4149 0.5029 ( 11314 PWs) bands (ev): -24.9750 -24.9750 -24.9750 -24.9750 -24.9022 -24.9022 -24.9022 -24.9022 -9.4769 -9.4769 -9.4769 -9.4769 -9.0225 -9.0225 -9.0220 -9.0220 -6.7054 -6.7054 -6.7007 -6.7007 -6.3642 -6.3642 -6.3600 -6.3600 -6.0440 -6.0440 -6.0435 -6.0435 -6.0108 -6.0108 -6.0037 -6.0037 -5.7783 -5.7783 -5.7661 -5.7661 -5.5211 -5.5211 -5.5163 -5.5163 -3.7078 -3.7078 -3.7076 -3.7076 -3.6056 -3.6056 -3.6042 -3.6042 -3.3831 -3.3831 -3.3821 -3.3821 -3.1656 -3.1656 -3.1652 -3.1652 3.8977 3.8977 3.8984 3.8984 4.9087 4.9087 4.9090 4.9090 5.2543 5.2543 5.2556 5.2556 k = 0.5000 0.3905 0.5029 ( 11320 PWs) bands (ev): -24.9750 -24.9750 -24.9750 -24.9750 -24.9023 -24.9023 -24.9023 -24.9023 -9.4726 -9.4726 -9.4726 -9.4726 -9.0368 -9.0368 -9.0363 -9.0363 -6.6978 -6.6978 -6.6931 -6.6931 -6.3641 -6.3641 -6.3603 -6.3603 -6.0362 -6.0362 -6.0324 -6.0324 -6.0152 -6.0152 -6.0118 -6.0118 -5.7776 -5.7776 -5.7665 -5.7665 -5.5217 -5.5217 -5.5171 -5.5171 -3.7100 -3.7100 -3.7097 -3.7097 -3.5985 -3.5985 -3.5970 -3.5970 -3.3724 -3.3724 -3.3714 -3.3714 -3.1603 -3.1603 -3.1600 -3.1600 3.9067 3.9067 3.9075 3.9075 4.9397 4.9397 4.9398 4.9398 5.2265 5.2265 5.2278 5.2278 k = 0.5000 0.3661 0.5029 ( 11306 PWs) bands (ev): -24.9751 -24.9751 -24.9751 -24.9751 -24.9024 -24.9024 -24.9024 -24.9024 -9.4682 -9.4682 -9.4682 -9.4682 -9.0510 -9.0510 -9.0506 -9.0506 -6.6899 -6.6899 -6.6852 -6.6852 -6.3648 -6.3648 -6.3614 -6.3614 -6.0380 -6.0380 -6.0304 -6.0304 -6.0105 -6.0105 -6.0096 -6.0096 -5.7768 -5.7768 -5.7668 -5.7668 -5.5224 -5.5224 -5.5180 -5.5180 -3.7126 -3.7126 -3.7121 -3.7121 -3.5914 -3.5914 -3.5901 -3.5901 -3.3607 -3.3607 -3.3597 -3.3597 -3.1556 -3.1556 -3.1553 -3.1553 3.9171 3.9171 3.9180 3.9180 4.9682 4.9682 4.9683 4.9683 5.2014 5.2014 5.2027 5.2027 k = 0.5000 0.3417 0.5029 ( 11306 PWs) bands (ev): -24.9752 -24.9752 -24.9752 -24.9752 -24.9024 -24.9024 -24.9024 -24.9024 -9.4637 -9.4637 -9.4636 -9.4636 -9.0651 -9.0651 -9.0647 -9.0647 -6.6817 -6.6817 -6.6770 -6.6770 -6.3663 -6.3663 -6.3632 -6.3632 -6.0453 -6.0453 -6.0379 -6.0379 -5.9994 -5.9994 -5.9984 -5.9984 -5.7760 -5.7760 -5.7671 -5.7671 -5.5231 -5.5231 -5.5189 -5.5189 -3.7154 -3.7154 -3.7148 -3.7148 -3.5847 -3.5847 -3.5833 -3.5833 -3.3483 -3.3483 -3.3472 -3.3472 -3.1515 -3.1515 -3.1513 -3.1513 3.9288 3.9288 3.9299 3.9299 4.9906 4.9906 4.9912 4.9912 5.1819 5.1819 5.1830 5.1830 k = 0.5000 0.3173 0.5029 ( 11316 PWs) bands (ev): -24.9753 -24.9753 -24.9753 -24.9753 -24.9025 -24.9025 -24.9025 -24.9025 -9.4590 -9.4590 -9.4589 -9.4589 -9.0791 -9.0791 -9.0786 -9.0786 -6.6732 -6.6732 -6.6687 -6.6687 -6.3684 -6.3684 -6.3658 -6.3658 -6.0537 -6.0537 -6.0470 -6.0470 -5.9865 -5.9865 -5.9858 -5.9858 -5.7753 -5.7753 -5.7673 -5.7673 -5.5239 -5.5239 -5.5199 -5.5199 -3.7184 -3.7184 -3.7176 -3.7176 -3.5782 -3.5782 -3.5769 -3.5769 -3.3352 -3.3352 -3.3342 -3.3342 -3.1480 -3.1480 -3.1478 -3.1478 3.9421 3.9421 3.9434 3.9434 5.0018 5.0018 5.0031 5.0031 5.1729 5.1729 5.1735 5.1735 k = 0.5000 0.2929 0.5029 ( 11306 PWs) bands (ev): -24.9753 -24.9753 -24.9753 -24.9753 -24.9025 -24.9025 -24.9025 -24.9025 -9.4541 -9.4541 -9.4541 -9.4541 -9.0927 -9.0927 -9.0922 -9.0922 -6.6646 -6.6646 -6.6601 -6.6601 -6.3711 -6.3711 -6.3690 -6.3690 -6.0622 -6.0622 -6.0561 -6.0561 -5.9734 -5.9734 -5.9730 -5.9730 -5.7746 -5.7746 -5.7676 -5.7676 -5.5247 -5.5247 -5.5210 -5.5210 -3.7213 -3.7213 -3.7205 -3.7205 -3.5721 -3.5721 -3.5709 -3.5709 -3.3217 -3.3217 -3.3208 -3.3208 -3.1452 -3.1452 -3.1450 -3.1450 3.9570 3.9570 3.9584 3.9584 4.9971 4.9971 4.9990 4.9990 5.1783 5.1783 5.1785 5.1785 k = 0.5000 0.2685 0.5029 ( 11308 PWs) bands (ev): -24.9754 -24.9754 -24.9754 -24.9754 -24.9026 -24.9026 -24.9026 -24.9026 -9.4493 -9.4493 -9.4491 -9.4491 -9.1059 -9.1059 -9.1055 -9.1055 -6.6558 -6.6558 -6.6515 -6.6515 -6.3745 -6.3745 -6.3728 -6.3728 -6.0704 -6.0704 -6.0649 -6.0649 -5.9606 -5.9606 -5.9604 -5.9604 -5.7740 -5.7740 -5.7680 -5.7680 -5.5255 -5.5255 -5.5220 -5.5220 -3.7243 -3.7243 -3.7234 -3.7234 -3.5663 -3.5663 -3.5652 -3.5652 -3.3080 -3.3080 -3.3072 -3.3072 -3.1431 -3.1431 -3.1430 -3.1430 3.9736 3.9736 3.9752 3.9752 4.9782 4.9782 4.9805 4.9805 5.1959 5.1959 5.1960 5.1960 k = 0.5000 0.2441 0.5029 ( 11310 PWs) bands (ev): -24.9754 -24.9754 -24.9754 -24.9754 -24.9026 -24.9026 -24.9026 -24.9026 -9.4443 -9.4443 -9.4442 -9.4442 -9.1186 -9.1186 -9.1182 -9.1182 -6.6470 -6.6470 -6.6428 -6.6428 -6.3783 -6.3783 -6.3770 -6.3770 -6.0783 -6.0783 -6.0732 -6.0732 -5.9482 -5.9482 -5.9481 -5.9481 -5.7737 -5.7737 -5.7685 -5.7685 -5.5263 -5.5263 -5.5230 -5.5230 -3.7271 -3.7271 -3.7262 -3.7262 -3.5609 -3.5609 -3.5598 -3.5598 -3.2942 -3.2942 -3.2934 -3.2934 -3.1417 -3.1417 -3.1417 -3.1417 3.9918 3.9918 3.9935 3.9935 4.9503 4.9503 4.9529 4.9529 5.2203 5.2203 5.2203 5.2203 k = 0.5000 0.2197 0.5029 ( 11312 PWs) bands (ev): -24.9755 -24.9755 -24.9755 -24.9755 -24.9027 -24.9027 -24.9027 -24.9027 -9.4394 -9.4394 -9.4392 -9.4392 -9.1307 -9.1307 -9.1303 -9.1303 -6.6382 -6.6382 -6.6341 -6.6341 -6.3824 -6.3824 -6.3816 -6.3816 -6.0857 -6.0857 -6.0809 -6.0809 -5.9365 -5.9365 -5.9363 -5.9363 -5.7735 -5.7735 -5.7691 -5.7691 -5.5271 -5.5271 -5.5240 -5.5240 -3.7299 -3.7299 -3.7288 -3.7288 -3.5559 -3.5559 -3.5550 -3.5550 -3.2805 -3.2805 -3.2798 -3.2798 -3.1412 -3.1412 -3.1412 -3.1412 4.0114 4.0114 4.0134 4.0134 4.9175 4.9175 4.9202 4.9202 5.2471 5.2471 5.2472 5.2472 k = 0.5000 0.1953 0.5029 ( 11322 PWs) bands (ev): -24.9755 -24.9755 -24.9755 -24.9755 -24.9027 -24.9027 -24.9027 -24.9027 -9.4345 -9.4345 -9.4344 -9.4344 -9.1422 -9.1422 -9.1418 -9.1418 -6.6296 -6.6296 -6.6256 -6.6256 -6.3869 -6.3869 -6.3865 -6.3865 -6.0925 -6.0925 -6.0880 -6.0880 -5.9254 -5.9254 -5.9252 -5.9252 -5.7735 -5.7735 -5.7699 -5.7699 -5.5278 -5.5278 -5.5249 -5.5249 -3.7324 -3.7324 -3.7313 -3.7313 -3.5514 -3.5514 -3.5505 -3.5505 -3.2670 -3.2670 -3.2664 -3.2664 -3.1415 -3.1415 -3.1414 -3.1414 4.0324 4.0324 4.0345 4.0345 4.8820 4.8820 4.8847 4.8847 5.2742 5.2742 5.2744 5.2744 k = 0.5000 0.1709 0.5029 ( 11320 PWs) bands (ev): -24.9756 -24.9756 -24.9756 -24.9756 -24.9028 -24.9028 -24.9028 -24.9028 -9.4298 -9.4298 -9.4297 -9.4297 -9.1528 -9.1528 -9.1524 -9.1524 -6.6212 -6.6212 -6.6174 -6.6174 -6.3915 -6.3915 -6.3915 -6.3915 -6.0986 -6.0986 -6.0944 -6.0944 -5.9152 -5.9152 -5.9149 -5.9149 -5.7737 -5.7737 -5.7708 -5.7708 -5.5285 -5.5285 -5.5258 -5.5258 -3.7347 -3.7347 -3.7336 -3.7336 -3.5474 -3.5474 -3.5465 -3.5465 -3.2538 -3.2538 -3.2533 -3.2533 -3.1426 -3.1426 -3.1425 -3.1425 4.0543 4.0543 4.0566 4.0566 4.8454 4.8454 4.8482 4.8482 5.3002 5.3002 5.3006 5.3006 k = 0.5000 0.1464 0.5029 ( 11314 PWs) bands (ev): -24.9756 -24.9756 -24.9756 -24.9756 -24.9028 -24.9028 -24.9028 -24.9028 -9.4254 -9.4254 -9.4252 -9.4252 -9.1624 -9.1624 -9.1621 -9.1621 -6.6133 -6.6133 -6.6097 -6.6097 -6.3966 -6.3966 -6.3961 -6.3961 -6.1040 -6.1040 -6.1000 -6.1000 -5.9059 -5.9059 -5.9056 -5.9056 -5.7740 -5.7740 -5.7717 -5.7717 -5.5291 -5.5291 -5.5266 -5.5266 -3.7368 -3.7368 -3.7356 -3.7356 -3.5438 -3.5438 -3.5430 -3.5430 -3.2412 -3.2412 -3.2406 -3.2406 -3.1445 -3.1445 -3.1444 -3.1444 4.0767 4.0767 4.0791 4.0791 4.8090 4.8090 4.8118 4.8118 5.3245 5.3245 5.3252 5.3252 k = 0.5000 0.1220 0.5029 ( 11328 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9028 -24.9028 -24.9028 -24.9028 -9.4213 -9.4213 -9.4211 -9.4211 -9.1710 -9.1710 -9.1706 -9.1706 -6.6060 -6.6060 -6.6026 -6.6026 -6.4014 -6.4014 -6.4006 -6.4006 -6.1087 -6.1087 -6.1049 -6.1049 -5.8977 -5.8977 -5.8974 -5.8974 -5.7745 -5.7745 -5.7728 -5.7728 -5.5296 -5.5296 -5.5272 -5.5272 -3.7386 -3.7386 -3.7374 -3.7374 -3.5408 -3.5408 -3.5400 -3.5400 -3.2291 -3.2291 -3.2286 -3.2286 -3.1474 -3.1474 -3.1472 -3.1472 4.0988 4.0988 4.1015 4.1015 4.7740 4.7740 4.7768 4.7768 5.3467 5.3467 5.3476 5.3476 k = 0.5000 0.0976 0.5029 ( 11318 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9028 -24.9028 -24.9028 -24.9028 -9.4177 -9.4177 -9.4175 -9.4175 -9.1782 -9.1782 -9.1779 -9.1779 -6.5995 -6.5995 -6.5963 -6.5963 -6.4058 -6.4058 -6.4047 -6.4047 -6.1125 -6.1125 -6.1088 -6.1088 -5.8907 -5.8907 -5.8905 -5.8905 -5.7751 -5.7751 -5.7739 -5.7739 -5.5301 -5.5301 -5.5278 -5.5278 -3.7401 -3.7401 -3.7389 -3.7389 -3.5383 -3.5383 -3.5376 -3.5376 -3.2177 -3.2177 -3.2173 -3.2173 -3.1510 -3.1510 -3.1508 -3.1508 4.1199 4.1199 4.1228 4.1228 4.7419 4.7419 4.7446 4.7446 5.3664 5.3664 5.3676 5.3676 k = 0.5000 0.0732 0.5029 ( 11322 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4147 -9.4147 -9.4145 -9.4145 -9.1841 -9.1841 -9.1838 -9.1838 -6.5941 -6.5941 -6.5911 -6.5911 -6.4096 -6.4096 -6.4082 -6.4082 -6.1156 -6.1156 -6.1120 -6.1120 -5.8850 -5.8850 -5.8848 -5.8848 -5.7757 -5.7757 -5.7748 -5.7748 -5.5304 -5.5304 -5.5283 -5.5283 -3.7413 -3.7413 -3.7400 -3.7400 -3.5363 -3.5363 -3.5356 -3.5356 -3.2073 -3.2073 -3.2068 -3.2068 -3.1554 -3.1554 -3.1552 -3.1552 4.1387 4.1387 4.1417 4.1417 4.7141 4.7141 4.7168 4.7168 5.3831 5.3831 5.3847 5.3847 k = 0.5000 0.0488 0.5029 ( 11316 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4125 -9.4125 -9.4122 -9.4122 -9.1884 -9.1884 -9.1882 -9.1882 -6.5901 -6.5901 -6.5871 -6.5871 -6.4126 -6.4126 -6.4109 -6.4109 -6.1178 -6.1178 -6.1142 -6.1142 -5.8808 -5.8808 -5.8807 -5.8807 -5.7761 -5.7761 -5.7756 -5.7756 -5.5307 -5.5307 -5.5286 -5.5286 -3.7421 -3.7421 -3.7409 -3.7409 -3.5349 -3.5349 -3.5342 -3.5342 -3.1980 -3.1980 -3.1974 -3.1974 -3.1604 -3.1604 -3.1601 -3.1601 4.1538 4.1538 4.1569 4.1569 4.6924 4.6924 4.6950 4.6950 5.3962 5.3962 5.3981 5.3981 k = 0.5000 0.0244 0.5029 ( 11328 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4111 -9.4111 -9.4108 -9.4108 -9.1911 -9.1911 -9.1908 -9.1908 -6.5875 -6.5875 -6.5847 -6.5847 -6.4145 -6.4145 -6.4127 -6.4127 -6.1191 -6.1191 -6.1156 -6.1156 -5.8783 -5.8783 -5.8782 -5.8782 -5.7765 -5.7765 -5.7762 -5.7762 -5.5308 -5.5308 -5.5288 -5.5288 -3.7427 -3.7427 -3.7414 -3.7414 -3.5341 -3.5341 -3.5334 -3.5334 -3.1906 -3.1906 -3.1899 -3.1899 -3.1653 -3.1653 -3.1648 -3.1648 4.1636 4.1636 4.1668 4.1668 4.6785 4.6785 4.6811 4.6811 5.4047 5.4047 5.4068 5.4068 k = 0.5000-0.0000 0.5029 ( 11332 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4106 -9.4106 -9.4104 -9.4104 -9.1920 -9.1920 -9.1917 -9.1917 -6.5867 -6.5867 -6.5838 -6.5838 -6.4151 -6.4151 -6.4133 -6.4133 -6.1195 -6.1195 -6.1160 -6.1160 -5.8774 -5.8774 -5.8774 -5.8774 -5.7766 -5.7766 -5.7763 -5.7763 -5.5309 -5.5309 -5.5289 -5.5289 -3.7428 -3.7428 -3.7416 -3.7416 -3.5338 -3.5338 -3.5331 -3.5331 -3.1873 -3.1873 -3.1865 -3.1865 -3.1678 -3.1678 -3.1672 -3.1672 4.1670 4.1670 4.1703 4.1703 4.6737 4.6737 4.6763 4.6763 5.4077 5.4077 5.4099 5.4099 k = 0.5000-0.0000 0.5029 ( 11332 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4106 -9.4106 -9.4104 -9.4104 -9.1920 -9.1920 -9.1917 -9.1917 -6.5867 -6.5867 -6.5838 -6.5838 -6.4151 -6.4151 -6.4133 -6.4133 -6.1195 -6.1195 -6.1160 -6.1160 -5.8774 -5.8774 -5.8774 -5.8774 -5.7766 -5.7766 -5.7763 -5.7763 -5.5309 -5.5309 -5.5289 -5.5289 -3.7428 -3.7428 -3.7416 -3.7416 -3.5338 -3.5338 -3.5331 -3.5331 -3.1873 -3.1873 -3.1865 -3.1865 -3.1678 -3.1678 -3.1672 -3.1672 4.1670 4.1670 4.1703 4.1703 4.6737 4.6737 4.6763 4.6763 5.4077 5.4077 5.4099 5.4099 k = 0.5000-0.0000 0.4790 ( 11320 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4121 -9.4121 -9.4119 -9.4119 -9.1900 -9.1900 -9.1897 -9.1897 -6.5906 -6.5906 -6.5879 -6.5879 -6.4144 -6.4144 -6.4126 -6.4126 -6.1166 -6.1166 -6.1132 -6.1132 -5.8772 -5.8772 -5.8771 -5.8771 -5.7765 -5.7765 -5.7763 -5.7763 -5.5309 -5.5309 -5.5289 -5.5289 -3.7434 -3.7434 -3.7421 -3.7421 -3.5336 -3.5336 -3.5329 -3.5329 -3.1911 -3.1911 -3.1905 -3.1905 -3.1635 -3.1635 -3.1631 -3.1631 4.1620 4.1620 4.1652 4.1652 4.6765 4.6765 4.6791 4.6791 5.4034 5.4034 5.4056 5.4056 k = 0.5000-0.0000 0.4550 ( 11322 PWs) bands (ev): -24.9758 -24.9758 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4165 -9.4165 -9.4163 -9.4163 -9.1844 -9.1844 -9.1841 -9.1841 -6.6021 -6.6021 -6.5994 -6.5994 -6.4126 -6.4126 -6.4108 -6.4108 -6.1081 -6.1081 -6.1049 -6.1049 -5.8765 -5.8765 -5.8764 -5.8764 -5.7764 -5.7764 -5.7761 -5.7761 -5.5309 -5.5309 -5.5289 -5.5289 -3.7450 -3.7450 -3.7437 -3.7437 -3.5330 -3.5330 -3.5323 -3.5323 -3.1985 -3.1985 -3.1981 -3.1981 -3.1551 -3.1551 -3.1549 -3.1549 4.1474 4.1474 4.1505 4.1505 4.6846 4.6846 4.6871 4.6871 5.3923 5.3923 5.3944 5.3944 k = 0.5000-0.0000 0.4311 ( 11316 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9029 -24.9029 -24.9029 -24.9029 -9.4233 -9.4233 -9.4230 -9.4230 -9.1754 -9.1754 -9.1752 -9.1752 -6.6196 -6.6196 -6.6170 -6.6170 -6.4102 -6.4102 -6.4086 -6.4086 -6.0949 -6.0949 -6.0920 -6.0920 -5.8753 -5.8753 -5.8751 -5.8751 -5.7762 -5.7762 -5.7758 -5.7758 -5.5310 -5.5310 -5.5290 -5.5290 -3.7476 -3.7476 -3.7464 -3.7464 -3.5320 -3.5320 -3.5313 -3.5313 -3.2065 -3.2065 -3.2062 -3.2062 -3.1455 -3.1455 -3.1454 -3.1454 4.1246 4.1246 4.1277 4.1277 4.6965 4.6965 4.6990 4.6990 5.3771 5.3771 5.3791 5.3791 k = 0.5000-0.0000 0.4071 ( 11312 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9029 -24.9029 -24.9029 -24.9029 -9.4318 -9.4318 -9.4316 -9.4316 -9.1639 -9.1639 -9.1637 -9.1637 -6.6416 -6.6416 -6.6393 -6.6393 -6.4079 -6.4079 -6.4065 -6.4065 -6.0779 -6.0779 -6.0754 -6.0754 -5.8735 -5.8735 -5.8732 -5.8732 -5.7758 -5.7758 -5.7753 -5.7753 -5.5312 -5.5312 -5.5291 -5.5291 -3.7512 -3.7512 -3.7499 -3.7499 -3.5307 -3.5307 -3.5301 -3.5301 -3.2144 -3.2144 -3.2143 -3.2143 -3.1356 -3.1356 -3.1356 -3.1356 4.0956 4.0956 4.0985 4.0985 4.7106 4.7106 4.7132 4.7132 5.3598 5.3598 5.3618 5.3618 k = 0.5000-0.0000 0.3832 ( 11312 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9028 -24.9028 -24.9028 -24.9028 -9.4416 -9.4416 -9.4414 -9.4414 -9.1505 -9.1505 -9.1502 -9.1502 -6.6669 -6.6669 -6.6647 -6.6647 -6.4061 -6.4061 -6.4047 -6.4047 -6.0585 -6.0585 -6.0564 -6.0564 -5.8710 -5.8710 -5.8705 -5.8705 -5.7752 -5.7752 -5.7747 -5.7747 -5.5315 -5.5315 -5.5294 -5.5294 -3.7555 -3.7555 -3.7543 -3.7543 -3.5292 -3.5292 -3.5286 -3.5286 -3.2220 -3.2220 -3.2219 -3.2219 -3.1256 -3.1256 -3.1256 -3.1256 4.0620 4.0620 4.0648 4.0648 4.7256 4.7256 4.7280 4.7280 5.3417 5.3417 5.3437 5.3437 k = 0.5000-0.0000 0.3592 ( 11306 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9028 -24.9028 -24.9028 -24.9028 -9.4521 -9.4521 -9.4519 -9.4519 -9.1357 -9.1357 -9.1354 -9.1354 -6.6942 -6.6942 -6.6922 -6.6922 -6.4047 -6.4047 -6.4035 -6.4035 -6.0378 -6.0378 -6.0361 -6.0361 -5.8677 -5.8677 -5.8669 -5.8669 -5.7744 -5.7744 -5.7738 -5.7738 -5.5319 -5.5319 -5.5298 -5.5298 -3.7605 -3.7605 -3.7593 -3.7593 -3.5275 -3.5275 -3.5270 -3.5270 -3.2291 -3.2291 -3.2290 -3.2290 -3.1157 -3.1157 -3.1156 -3.1156 4.0255 4.0255 4.0281 4.0281 4.7401 4.7401 4.7424 4.7424 5.3234 5.3234 5.3253 5.3253 k = 0.5000-0.0000 0.3353 ( 11314 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9028 -24.9028 -24.9028 -24.9028 -9.4629 -9.4629 -9.4627 -9.4627 -9.1199 -9.1199 -9.1196 -9.1196 -6.7227 -6.7227 -6.7209 -6.7209 -6.4038 -6.4038 -6.4027 -6.4027 -6.0169 -6.0169 -6.0157 -6.0157 -5.8632 -5.8632 -5.8622 -5.8622 -5.7733 -5.7733 -5.7725 -5.7725 -5.5325 -5.5325 -5.5304 -5.5304 -3.7661 -3.7661 -3.7649 -3.7649 -3.5259 -3.5259 -3.5254 -3.5254 -3.2357 -3.2357 -3.2357 -3.2357 -3.1058 -3.1058 -3.1058 -3.1058 3.9874 3.9874 3.9898 3.9898 4.7533 4.7533 4.7555 4.7555 5.3051 5.3051 5.3070 5.3070 k = 0.5000-0.0000 0.3113 ( 11306 PWs) bands (ev): -24.9759 -24.9759 -24.9759 -24.9759 -24.9028 -24.9028 -24.9028 -24.9028 -9.4736 -9.4736 -9.4734 -9.4734 -9.1036 -9.1036 -9.1034 -9.1034 -6.7516 -6.7516 -6.7500 -6.7500 -6.4033 -6.4033 -6.4024 -6.4024 -5.9970 -5.9970 -5.9963 -5.9963 -5.8574 -5.8574 -5.8560 -5.8560 -5.7718 -5.7718 -5.7708 -5.7708 -5.5334 -5.5334 -5.5313 -5.5313 -3.7720 -3.7720 -3.7708 -3.7708 -3.5242 -3.5242 -3.5238 -3.5238 -3.2417 -3.2417 -3.2417 -3.2417 -3.0963 -3.0963 -3.0962 -3.0962 3.9487 3.9487 3.9510 3.9510 4.7647 4.7647 4.7669 4.7669 5.2873 5.2873 5.2891 5.2891 k = 0.5000-0.0000 0.2874 ( 11302 PWs) bands (ev): -24.9759 -24.9759 -24.9759 -24.9759 -24.9027 -24.9027 -24.9027 -24.9027 -9.4842 -9.4842 -9.4840 -9.4840 -9.0872 -9.0872 -9.0869 -9.0869 -6.7804 -6.7804 -6.7789 -6.7789 -6.4032 -6.4032 -6.4023 -6.4023 -5.9790 -5.9790 -5.9787 -5.9787 -5.8500 -5.8500 -5.8483 -5.8483 -5.7695 -5.7695 -5.7683 -5.7683 -5.5346 -5.5346 -5.5325 -5.5325 -3.7781 -3.7781 -3.7769 -3.7769 -3.5226 -3.5226 -3.5222 -3.5222 -3.2472 -3.2472 -3.2471 -3.2471 -3.0870 -3.0870 -3.0869 -3.0869 3.9104 3.9104 3.9125 3.9125 4.7742 4.7742 4.7762 4.7762 5.2700 5.2700 5.2717 5.2717 k = 0.5000-0.0000 0.2634 ( 11298 PWs) bands (ev): -24.9759 -24.9759 -24.9759 -24.9759 -24.9027 -24.9027 -24.9027 -24.9027 -9.4943 -9.4943 -9.4941 -9.4941 -9.0709 -9.0709 -9.0707 -9.0707 -6.8085 -6.8085 -6.8072 -6.8072 -6.4033 -6.4033 -6.4026 -6.4026 -5.9637 -5.9637 -5.9637 -5.9637 -5.8413 -5.8413 -5.8392 -5.8392 -5.7662 -5.7662 -5.7647 -5.7647 -5.5362 -5.5362 -5.5341 -5.5341 -3.7842 -3.7842 -3.7831 -3.7831 -3.5212 -3.5212 -3.5208 -3.5208 -3.2520 -3.2520 -3.2520 -3.2520 -3.0782 -3.0782 -3.0781 -3.0781 3.8732 3.8732 3.8751 3.8751 4.7817 4.7817 4.7835 4.7835 5.2534 5.2534 5.2550 5.2550 k = 0.5000-0.0000 0.2395 ( 11308 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9027 -24.9027 -24.9027 -24.9027 -9.5038 -9.5038 -9.5037 -9.5037 -9.0550 -9.0550 -9.0548 -9.0548 -6.8356 -6.8356 -6.8345 -6.8345 -6.4037 -6.4037 -6.4030 -6.4030 -5.9516 -5.9516 -5.9513 -5.9513 -5.8317 -5.8317 -5.8294 -5.8294 -5.7612 -5.7612 -5.7596 -5.7596 -5.5382 -5.5382 -5.5362 -5.5362 -3.7903 -3.7903 -3.7893 -3.7893 -3.5199 -3.5199 -3.5196 -3.5196 -3.2563 -3.2563 -3.2563 -3.2563 -3.0698 -3.0698 -3.0697 -3.0697 3.8376 3.8376 3.8393 3.8393 4.7874 4.7874 4.7890 4.7890 5.2377 5.2377 5.2393 5.2393 k = 0.5000-0.0000 0.2155 ( 11310 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9026 -24.9026 -24.9026 -24.9026 -9.5127 -9.5127 -9.5126 -9.5126 -9.0398 -9.0398 -9.0396 -9.0396 -6.8613 -6.8613 -6.8603 -6.8603 -6.4042 -6.4042 -6.4036 -6.4036 -5.9422 -5.9422 -5.9417 -5.9417 -5.8223 -5.8223 -5.8199 -5.8199 -5.7540 -5.7540 -5.7522 -5.7522 -5.5408 -5.5408 -5.5388 -5.5388 -3.7962 -3.7962 -3.7953 -3.7953 -3.5187 -3.5187 -3.5185 -3.5185 -3.2601 -3.2601 -3.2600 -3.2600 -3.0620 -3.0620 -3.0619 -3.0619 3.8041 3.8041 3.8057 3.8057 4.7914 4.7914 4.7928 4.7928 5.2231 5.2231 5.2245 5.2245 k = 0.5000-0.0000 0.1916 ( 11316 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9026 -24.9026 -24.9026 -24.9026 -9.5209 -9.5209 -9.5207 -9.5207 -9.0255 -9.0255 -9.0253 -9.0253 -6.8852 -6.8852 -6.8843 -6.8843 -6.4047 -6.4047 -6.4042 -6.4042 -5.9351 -5.9351 -5.9345 -5.9345 -5.8143 -5.8143 -5.8120 -5.8120 -5.7441 -5.7441 -5.7423 -5.7423 -5.5439 -5.5439 -5.5419 -5.5419 -3.8019 -3.8019 -3.8010 -3.8010 -3.5178 -3.5178 -3.5176 -3.5176 -3.2633 -3.2633 -3.2632 -3.2632 -3.0549 -3.0549 -3.0548 -3.0548 3.7732 3.7732 3.7746 3.7746 4.7940 4.7940 4.7952 4.7952 5.2097 5.2097 5.2109 5.2109 k = 0.5000-0.0000 0.1676 ( 11310 PWs) bands (ev): -24.9761 -24.9761 -24.9761 -24.9761 -24.9026 -24.9026 -24.9026 -24.9026 -9.5282 -9.5282 -9.5280 -9.5280 -9.0123 -9.0123 -9.0121 -9.0121 -6.9071 -6.9071 -6.9063 -6.9063 -6.4053 -6.4053 -6.4049 -6.4049 -5.9297 -5.9297 -5.9292 -5.9292 -5.8081 -5.8081 -5.8061 -5.8061 -5.7317 -5.7317 -5.7300 -5.7300 -5.5476 -5.5476 -5.5457 -5.5457 -3.8071 -3.8071 -3.8062 -3.8062 -3.5170 -3.5170 -3.5169 -3.5169 -3.2660 -3.2660 -3.2659 -3.2659 -3.0484 -3.0484 -3.0483 -3.0483 3.7452 3.7452 3.7465 3.7465 4.7956 4.7956 4.7966 4.7966 5.1975 5.1975 5.1986 5.1986 k = 0.5000-0.0000 0.1437 ( 11314 PWs) bands (ev): -24.9761 -24.9761 -24.9761 -24.9761 -24.9025 -24.9025 -24.9025 -24.9025 -9.5346 -9.5346 -9.5345 -9.5345 -9.0003 -9.0003 -9.0002 -9.0002 -6.9266 -6.9266 -6.9259 -6.9259 -6.4059 -6.4059 -6.4056 -6.4056 -5.9257 -5.9257 -5.9252 -5.9252 -5.8036 -5.8036 -5.8020 -5.8020 -5.7177 -5.7177 -5.7161 -5.7161 -5.5519 -5.5519 -5.5501 -5.5501 -3.8117 -3.8117 -3.8110 -3.8110 -3.5164 -3.5164 -3.5163 -3.5163 -3.2683 -3.2683 -3.2682 -3.2682 -3.0427 -3.0427 -3.0426 -3.0426 3.7204 3.7204 3.7215 3.7215 4.7963 4.7963 4.7971 4.7971 5.1867 5.1867 5.1877 5.1877 k = 0.5000-0.0000 0.1197 ( 11310 PWs) bands (ev): -24.9761 -24.9761 -24.9761 -24.9761 -24.9025 -24.9025 -24.9025 -24.9025 -9.5401 -9.5401 -9.5400 -9.5400 -8.9899 -8.9899 -8.9897 -8.9897 -6.9435 -6.9435 -6.9429 -6.9429 -6.4065 -6.4065 -6.4062 -6.4062 -5.9228 -5.9228 -5.9223 -5.9223 -5.8005 -5.8005 -5.7993 -5.7993 -5.7032 -5.7032 -5.7018 -5.7018 -5.5568 -5.5568 -5.5550 -5.5550 -3.8158 -3.8158 -3.8152 -3.8152 -3.5160 -3.5160 -3.5159 -3.5159 -3.2701 -3.2701 -3.2700 -3.2700 -3.0377 -3.0377 -3.0377 -3.0377 3.6991 3.6991 3.6999 3.6999 4.7964 4.7964 4.7971 4.7971 5.1775 5.1775 5.1783 5.1783 k = 0.5000-0.0000 0.0958 ( 11306 PWs) bands (ev): -24.9761 -24.9761 -24.9761 -24.9761 -24.9025 -24.9025 -24.9025 -24.9025 -9.5446 -9.5446 -9.5445 -9.5445 -8.9811 -8.9811 -8.9810 -8.9810 -6.9577 -6.9577 -6.9572 -6.9572 -6.4069 -6.4069 -6.4067 -6.4067 -5.9206 -5.9206 -5.9202 -5.9202 -5.7984 -5.7984 -5.7975 -5.7975 -5.6891 -5.6891 -5.6878 -5.6878 -5.5621 -5.5621 -5.5604 -5.5604 -3.8193 -3.8193 -3.8188 -3.8188 -3.5156 -3.5156 -3.5155 -3.5155 -3.2715 -3.2715 -3.2715 -3.2715 -3.0336 -3.0336 -3.0336 -3.0336 3.6813 3.6813 3.6820 3.6820 4.7962 4.7962 4.7968 4.7968 5.1698 5.1698 5.1705 5.1705 k = 0.5000-0.0000 0.0718 ( 11316 PWs) bands (ev): -24.9761 -24.9761 -24.9761 -24.9761 -24.9025 -24.9025 -24.9025 -24.9025 -9.5482 -9.5482 -9.5481 -9.5481 -8.9741 -8.9741 -8.9740 -8.9740 -6.9688 -6.9688 -6.9685 -6.9685 -6.4073 -6.4073 -6.4072 -6.4072 -5.9190 -5.9190 -5.9187 -5.9187 -5.7970 -5.7970 -5.7963 -5.7963 -5.6763 -5.6763 -5.6752 -5.6752 -5.5674 -5.5674 -5.5660 -5.5660 -3.8220 -3.8220 -3.8216 -3.8216 -3.5154 -3.5154 -3.5153 -3.5153 -3.2726 -3.2726 -3.2726 -3.2726 -3.0304 -3.0304 -3.0304 -3.0304 3.6674 3.6674 3.6679 3.6679 4.7959 4.7959 4.7963 4.7963 5.1638 5.1638 5.1643 5.1643 k = 0.5000-0.0000 0.0479 ( 11330 PWs) bands (ev): -24.9762 -24.9762 -24.9762 -24.9762 -24.9025 -24.9025 -24.9025 -24.9025 -9.5507 -9.5507 -9.5507 -9.5507 -8.9690 -8.9690 -8.9690 -8.9690 -6.9769 -6.9769 -6.9767 -6.9767 -6.4076 -6.4076 -6.4075 -6.4075 -5.9179 -5.9179 -5.9177 -5.9177 -5.7960 -5.7960 -5.7956 -5.7956 -5.6657 -5.6657 -5.6648 -5.6648 -5.5723 -5.5723 -5.5712 -5.5712 -3.8240 -3.8240 -3.8237 -3.8237 -3.5152 -3.5152 -3.5152 -3.5152 -3.2734 -3.2734 -3.2733 -3.2733 -3.0281 -3.0281 -3.0281 -3.0281 3.6574 3.6574 3.6578 3.6578 4.7956 4.7956 4.7958 4.7958 5.1595 5.1595 5.1599 5.1599 k = 0.5000-0.0000 0.0239 ( 11330 PWs) bands (ev): -24.9762 -24.9762 -24.9762 -24.9762 -24.9025 -24.9025 -24.9025 -24.9025 -9.5523 -9.5523 -9.5522 -9.5522 -8.9659 -8.9659 -8.9659 -8.9659 -6.9818 -6.9818 -6.9817 -6.9817 -6.4078 -6.4078 -6.4077 -6.4077 -5.9172 -5.9172 -5.9171 -5.9171 -5.7954 -5.7954 -5.7952 -5.7952 -5.6584 -5.6584 -5.6579 -5.6579 -5.5758 -5.5758 -5.5752 -5.5752 -3.8252 -3.8252 -3.8250 -3.8250 -3.5151 -3.5151 -3.5151 -3.5151 -3.2738 -3.2738 -3.2738 -3.2738 -3.0267 -3.0267 -3.0267 -3.0267 3.6514 3.6514 3.6516 3.6516 4.7954 4.7954 4.7955 4.7955 5.1570 5.1570 5.1571 5.1571 k = 0.5000-0.0000-0.0000 ( 11330 PWs) bands (ev): -24.9762 -24.9762 -24.9762 -24.9762 -24.9025 -24.9025 -24.9025 -24.9025 -9.5528 -9.5528 -9.5528 -9.5528 -8.9649 -8.9649 -8.9649 -8.9649 -6.9834 -6.9834 -6.9834 -6.9834 -6.4078 -6.4078 -6.4078 -6.4078 -5.9170 -5.9170 -5.9170 -5.9170 -5.7952 -5.7952 -5.7952 -5.7952 -5.6556 -5.6556 -5.6556 -5.6556 -5.5769 -5.5769 -5.5769 -5.5769 -3.8255 -3.8255 -3.8255 -3.8255 -3.5151 -3.5151 -3.5151 -3.5151 -3.2739 -3.2739 -3.2739 -3.2739 -3.0262 -3.0262 -3.0262 -3.0262 3.6495 3.6495 3.6495 3.6495 4.7953 4.7953 4.7953 4.7953 5.1562 5.1562 5.1562 5.1562 k = 0.0000 0.0000 0.5029 ( 11284 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9026 -24.9026 -24.9026 -24.9026 -9.3939 -9.3939 -9.3939 -9.3939 -9.2084 -9.2084 -9.2084 -9.2084 -6.5626 -6.5626 -6.5626 -6.5626 -6.4819 -6.4819 -6.4819 -6.4819 -6.1125 -6.1125 -6.1125 -6.1125 -5.8618 -5.8618 -5.8618 -5.8618 -5.7805 -5.7805 -5.7805 -5.7805 -5.4856 -5.4856 -5.4856 -5.4856 -3.7895 -3.7895 -3.7895 -3.7895 -3.3878 -3.3878 -3.3878 -3.3878 -3.3410 -3.3410 -3.3410 -3.3410 -3.1237 -3.1237 -3.1237 -3.1237 3.9829 3.9829 3.9829 3.9829 4.4007 4.4007 4.4007 4.4007 5.7485 5.7485 5.7485 5.7485 k = 0.0238-0.0000 0.5029 ( 11292 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9026 -24.9026 -24.9026 -24.9026 -9.3940 -9.3940 -9.3940 -9.3940 -9.2083 -9.2083 -9.2083 -9.2083 -6.5631 -6.5631 -6.5626 -6.5626 -6.4817 -6.4817 -6.4812 -6.4812 -6.1126 -6.1126 -6.1125 -6.1125 -5.8619 -5.8619 -5.8618 -5.8618 -5.7806 -5.7806 -5.7804 -5.7804 -5.4859 -5.4859 -5.4858 -5.4858 -3.7893 -3.7893 -3.7893 -3.7893 -3.3902 -3.3902 -3.3899 -3.3899 -3.3390 -3.3390 -3.3387 -3.3387 -3.1239 -3.1239 -3.1237 -3.1237 3.9836 3.9836 3.9838 3.9838 4.4019 4.4019 4.4020 4.4020 5.7460 5.7460 5.7462 5.7462 k = 0.0476-0.0000 0.5029 ( 11294 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9026 -24.9026 -24.9026 -24.9026 -9.3943 -9.3943 -9.3943 -9.3943 -9.2080 -9.2080 -9.2079 -9.2079 -6.5640 -6.5640 -6.5631 -6.5631 -6.4805 -6.4805 -6.4796 -6.4796 -6.1128 -6.1128 -6.1125 -6.1125 -5.8621 -5.8621 -5.8620 -5.8620 -5.7806 -5.7806 -5.7803 -5.7803 -5.4868 -5.4868 -5.4864 -5.4864 -3.7887 -3.7887 -3.7886 -3.7886 -3.3960 -3.3960 -3.3955 -3.3955 -3.3335 -3.3335 -3.3330 -3.3330 -3.1242 -3.1242 -3.1238 -3.1238 3.9859 3.9859 3.9863 3.9863 4.4056 4.4056 4.4060 4.4060 5.7388 5.7388 5.7392 5.7392 k = 0.0714-0.0000 0.5029 ( 11304 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9026 -24.9026 -24.9026 -24.9026 -9.3948 -9.3948 -9.3948 -9.3948 -9.2075 -9.2075 -9.2074 -9.2074 -6.5653 -6.5653 -6.5640 -6.5640 -6.4784 -6.4784 -6.4771 -6.4771 -6.1130 -6.1130 -6.1126 -6.1126 -5.8624 -5.8624 -5.8623 -5.8623 -5.7806 -5.7806 -5.7802 -5.7802 -5.4880 -5.4880 -5.4875 -5.4875 -3.7878 -3.7878 -3.7876 -3.7876 -3.4039 -3.4039 -3.4033 -3.4033 -3.3261 -3.3261 -3.3254 -3.3254 -3.1246 -3.1246 -3.1241 -3.1241 3.9897 3.9897 3.9904 3.9904 4.4119 4.4119 4.4124 4.4124 5.7271 5.7271 5.7276 5.7276 k = 0.0952-0.0000 0.5029 ( 11304 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9027 -24.9027 -24.9027 -24.9027 -9.3955 -9.3955 -9.3954 -9.3954 -9.2069 -9.2069 -9.2068 -9.2068 -6.5669 -6.5669 -6.5652 -6.5652 -6.4756 -6.4756 -6.4739 -6.4739 -6.1132 -6.1132 -6.1127 -6.1127 -5.8629 -5.8629 -5.8627 -5.8627 -5.7806 -5.7806 -5.7801 -5.7801 -5.4898 -5.4898 -5.4891 -5.4891 -3.7864 -3.7864 -3.7862 -3.7862 -3.4127 -3.4127 -3.4121 -3.4121 -3.3177 -3.3177 -3.3169 -3.3169 -3.1252 -3.1252 -3.1246 -3.1246 3.9950 3.9950 3.9959 3.9959 4.4206 4.4206 4.4213 4.4213 5.7112 5.7112 5.7118 5.7118 k = 0.1190-0.0000 0.5029 ( 11300 PWs) bands (ev): -24.9760 -24.9760 -24.9760 -24.9760 -24.9027 -24.9027 -24.9027 -24.9027 -9.3963 -9.3963 -9.3962 -9.3962 -9.2060 -9.2060 -9.2059 -9.2059 -6.5687 -6.5687 -6.5667 -6.5667 -6.4721 -6.4721 -6.4701 -6.4701 -6.1135 -6.1135 -6.1129 -6.1129 -5.8635 -5.8635 -5.8632 -5.8632 -5.7806 -5.7806 -5.7800 -5.7800 -5.4919 -5.4919 -5.4910 -5.4910 -3.7847 -3.7847 -3.7844 -3.7844 -3.4220 -3.4220 -3.4215 -3.4215 -3.3088 -3.3088 -3.3080 -3.3080 -3.1260 -3.1260 -3.1252 -3.1252 4.0019 4.0019 4.0030 4.0030 4.4316 4.4316 4.4325 4.4325 5.6918 5.6918 5.6924 5.6924 k = 0.1429-0.0000 0.5029 ( 11298 PWs) bands (ev): -24.9759 -24.9759 -24.9759 -24.9759 -24.9027 -24.9027 -24.9027 -24.9027 -9.3973 -9.3973 -9.3972 -9.3972 -9.2051 -9.2051 -9.2050 -9.2050 -6.5706 -6.5706 -6.5684 -6.5684 -6.4680 -6.4680 -6.4659 -6.4659 -6.1139 -6.1139 -6.1131 -6.1131 -5.8642 -5.8642 -5.8639 -5.8639 -5.7805 -5.7805 -5.7798 -5.7798 -5.4944 -5.4944 -5.4933 -5.4933 -3.7826 -3.7826 -3.7823 -3.7823 -3.4317 -3.4317 -3.4311 -3.4311 -3.2997 -3.2997 -3.2989 -3.2989 -3.1270 -3.1270 -3.1260 -3.1260 4.0102 4.0102 4.0115 4.0115 4.4447 4.4447 4.4457 4.4457 5.6696 5.6696 5.6703 5.6703 k = 0.1667-0.0000 0.5029 ( 11290 PWs) bands (ev): -24.9759 -24.9759 -24.9759 -24.9759 -24.9027 -24.9027 -24.9027 -24.9027 -9.3984 -9.3984 -9.3983 -9.3983 -9.2040 -9.2040 -9.2039 -9.2039 -6.5725 -6.5725 -6.5701 -6.5701 -6.4636 -6.4636 -6.4613 -6.4613 -6.1143 -6.1143 -6.1133 -6.1133 -5.8650 -5.8650 -5.8647 -5.8647 -5.7803 -5.7803 -5.7796 -5.7796 -5.4972 -5.4972 -5.4960 -5.4960 -3.7802 -3.7802 -3.7798 -3.7798 -3.4414 -3.4414 -3.4409 -3.4409 -3.2905 -3.2905 -3.2898 -3.2898 -3.1281 -3.1281 -3.1271 -3.1271 4.0198 4.0198 4.0213 4.0213 4.4597 4.4597 4.4609 4.4609 5.6454 5.6454 5.6460 5.6460 k = 0.1905-0.0000 0.5029 ( 11280 PWs) bands (ev): -24.9759 -24.9759 -24.9759 -24.9759 -24.9027 -24.9027 -24.9027 -24.9027 -9.3996 -9.3996 -9.3994 -9.3994 -9.2029 -9.2029 -9.2027 -9.2027 -6.5744 -6.5744 -6.5719 -6.5719 -6.4589 -6.4589 -6.4565 -6.4565 -6.1147 -6.1147 -6.1136 -6.1136 -5.8659 -5.8659 -5.8656 -5.8656 -5.7801 -5.7801 -5.7794 -5.7794 -5.5002 -5.5002 -5.4989 -5.4989 -3.7775 -3.7775 -3.7770 -3.7770 -3.4511 -3.4511 -3.4506 -3.4506 -3.2813 -3.2813 -3.2807 -3.2807 -3.1295 -3.1295 -3.1284 -3.1284 4.0306 4.0306 4.0324 4.0324 4.4764 4.4764 4.4778 4.4778 5.6198 5.6198 5.6205 5.6205 k = 0.2143-0.0000 0.5029 ( 11276 PWs) bands (ev): -24.9759 -24.9759 -24.9759 -24.9759 -24.9027 -24.9027 -24.9027 -24.9027 -9.4008 -9.4008 -9.4006 -9.4006 -9.2017 -9.2017 -9.2015 -9.2015 -6.5762 -6.5762 -6.5736 -6.5736 -6.4540 -6.4540 -6.4516 -6.4516 -6.1152 -6.1152 -6.1138 -6.1138 -5.8669 -5.8669 -5.8667 -5.8667 -5.7799 -5.7799 -5.7792 -5.7792 -5.5034 -5.5034 -5.5020 -5.5020 -3.7745 -3.7745 -3.7740 -3.7740 -3.4608 -3.4608 -3.4603 -3.4603 -3.2722 -3.2722 -3.2716 -3.2716 -3.1311 -3.1311 -3.1299 -3.1299 4.0426 4.0426 4.0445 4.0445 4.4945 4.4945 4.4960 4.4960 5.5936 5.5936 5.5943 5.5943 k = 0.2381-0.0000 0.5029 ( 11278 PWs) bands (ev): -24.9759 -24.9759 -24.9759 -24.9759 -24.9027 -24.9027 -24.9027 -24.9027 -9.4020 -9.4020 -9.4018 -9.4018 -9.2005 -9.2005 -9.2003 -9.2003 -6.5779 -6.5779 -6.5752 -6.5752 -6.4490 -6.4490 -6.4466 -6.4466 -6.1156 -6.1156 -6.1141 -6.1141 -5.8680 -5.8680 -5.8678 -5.8678 -5.7796 -5.7796 -5.7790 -5.7790 -5.5067 -5.5067 -5.5052 -5.5052 -3.7713 -3.7713 -3.7707 -3.7707 -3.4702 -3.4702 -3.4698 -3.4698 -3.2632 -3.2632 -3.2627 -3.2627 -3.1330 -3.1330 -3.1318 -3.1318 4.0554 4.0554 4.0575 4.0575 4.5138 4.5138 4.5154 4.5154 5.5673 5.5673 5.5680 5.5680 k = 0.2619-0.0000 0.5029 ( 11294 PWs) bands (ev): -24.9759 -24.9759 -24.9758 -24.9758 -24.9028 -24.9028 -24.9028 -24.9028 -9.4033 -9.4033 -9.4031 -9.4031 -9.1992 -9.1992 -9.1990 -9.1990 -6.5794 -6.5794 -6.5767 -6.5767 -6.4441 -6.4441 -6.4417 -6.4417 -6.1162 -6.1162 -6.1144 -6.1144 -5.8691 -5.8691 -5.8689 -5.8689 -5.7793 -5.7793 -5.7787 -5.7787 -5.5101 -5.5101 -5.5084 -5.5084 -3.7680 -3.7680 -3.7673 -3.7673 -3.4794 -3.4794 -3.4790 -3.4790 -3.2543 -3.2543 -3.2539 -3.2539 -3.1352 -3.1352 -3.1339 -3.1339 4.0689 4.0689 4.0711 4.0711 4.5337 4.5337 4.5355 4.5355 5.5416 5.5416 5.5423 5.5423 k = 0.2857-0.0000 0.5029 ( 11300 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9028 -24.9028 -24.9028 -24.9028 -9.4045 -9.4045 -9.4043 -9.4043 -9.1980 -9.1980 -9.1978 -9.1978 -6.5808 -6.5808 -6.5781 -6.5781 -6.4394 -6.4394 -6.4370 -6.4370 -6.1167 -6.1167 -6.1147 -6.1147 -5.8703 -5.8703 -5.8702 -5.8702 -5.7789 -5.7789 -5.7784 -5.7784 -5.5134 -5.5134 -5.5117 -5.5117 -3.7645 -3.7645 -3.7637 -3.7637 -3.4883 -3.4883 -3.4878 -3.4878 -3.2456 -3.2456 -3.2453 -3.2453 -3.1377 -3.1377 -3.1364 -3.1364 4.0827 4.0827 4.0852 4.0852 4.5541 4.5541 4.5560 4.5560 5.5169 5.5169 5.5177 5.5177 k = 0.3095-0.0000 0.5029 ( 11316 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9028 -24.9028 -24.9028 -24.9028 -9.4056 -9.4056 -9.4054 -9.4054 -9.1969 -9.1969 -9.1967 -9.1967 -6.5821 -6.5821 -6.5793 -6.5793 -6.4348 -6.4348 -6.4325 -6.4325 -6.1172 -6.1172 -6.1149 -6.1149 -5.8715 -5.8715 -5.8714 -5.8714 -5.7785 -5.7785 -5.7781 -5.7781 -5.5166 -5.5166 -5.5148 -5.5148 -3.7610 -3.7610 -3.7601 -3.7601 -3.4967 -3.4967 -3.4962 -3.4962 -3.2371 -3.2371 -3.2369 -3.2369 -3.1404 -3.1404 -3.1392 -3.1392 4.0967 4.0967 4.0993 4.0993 4.5743 4.5743 4.5764 4.5764 5.4938 5.4938 5.4947 5.4947 k = 0.3333-0.0000 0.5029 ( 11314 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9028 -24.9028 -24.9028 -24.9028 -9.4067 -9.4067 -9.4065 -9.4065 -9.1958 -9.1958 -9.1956 -9.1956 -6.5832 -6.5832 -6.5804 -6.5804 -6.4306 -6.4306 -6.4284 -6.4284 -6.1176 -6.1176 -6.1152 -6.1152 -5.8727 -5.8727 -5.8726 -5.8726 -5.7781 -5.7781 -5.7779 -5.7779 -5.5196 -5.5196 -5.5178 -5.5178 -3.7575 -3.7575 -3.7565 -3.7565 -3.5045 -3.5045 -3.5040 -3.5040 -3.2289 -3.2289 -3.2287 -3.2287 -3.1435 -3.1435 -3.1423 -3.1423 4.1105 4.1105 4.1132 4.1132 4.5941 4.5941 4.5962 4.5962 5.4728 5.4728 5.4738 5.4738 k = 0.3571-0.0000 0.5029 ( 11314 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9028 -24.9028 -24.9028 -24.9028 -9.4077 -9.4077 -9.4075 -9.4075 -9.1949 -9.1949 -9.1946 -9.1946 -6.5841 -6.5841 -6.5813 -6.5813 -6.4267 -6.4267 -6.4246 -6.4246 -6.1181 -6.1181 -6.1154 -6.1154 -5.8738 -5.8738 -5.8737 -5.8737 -5.7777 -5.7777 -5.7776 -5.7776 -5.5224 -5.5224 -5.5205 -5.5205 -3.7541 -3.7541 -3.7531 -3.7531 -3.5117 -3.5117 -3.5111 -3.5111 -3.2209 -3.2209 -3.2209 -3.2209 -3.1469 -3.1469 -3.1457 -3.1457 4.1236 4.1236 4.1264 4.1264 4.6127 4.6127 4.6150 4.6150 5.4543 5.4543 5.4555 5.4555 k = 0.3810-0.0000 0.5029 ( 11320 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9029 -24.9029 -24.9029 -24.9029 -9.4086 -9.4086 -9.4083 -9.4083 -9.1940 -9.1940 -9.1938 -9.1938 -6.5849 -6.5849 -6.5821 -6.5821 -6.4233 -6.4233 -6.4213 -6.4213 -6.1185 -6.1185 -6.1156 -6.1156 -5.8748 -5.8748 -5.8747 -5.8747 -5.7773 -5.7773 -5.7773 -5.7773 -5.5249 -5.5249 -5.5229 -5.5229 -3.7510 -3.7510 -3.7499 -3.7499 -3.5180 -3.5180 -3.5175 -3.5175 -3.2134 -3.2134 -3.2132 -3.2132 -3.1506 -3.1506 -3.1495 -3.1495 4.1357 4.1357 4.1386 4.1386 4.6298 4.6298 4.6321 4.6321 5.4388 5.4388 5.4402 5.4402 k = 0.4048-0.0000 0.5029 ( 11316 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9029 -24.9029 -24.9029 -24.9029 -9.4093 -9.4093 -9.4090 -9.4090 -9.1933 -9.1933 -9.1930 -9.1930 -6.5855 -6.5855 -6.5827 -6.5827 -6.4204 -6.4204 -6.4185 -6.4185 -6.1189 -6.1189 -6.1157 -6.1157 -5.8757 -5.8757 -5.8756 -5.8756 -5.7771 -5.7771 -5.7770 -5.7770 -5.5270 -5.5270 -5.5250 -5.5250 -3.7483 -3.7483 -3.7471 -3.7471 -3.5235 -3.5235 -3.5229 -3.5229 -3.2062 -3.2062 -3.2060 -3.2060 -3.1546 -3.1546 -3.1535 -3.1535 4.1463 4.1463 4.1494 4.1494 4.6447 4.6447 4.6471 4.6471 5.4266 5.4266 5.4281 5.4281 k = 0.4286-0.0000 0.5029 ( 11316 PWs) bands (ev): -24.9758 -24.9758 -24.9758 -24.9758 -24.9029 -24.9029 -24.9029 -24.9029 -9.4099 -9.4099 -9.4096 -9.4096 -9.1927 -9.1927 -9.1925 -9.1925 -6.5860 -6.5860 -6.5832 -6.5832 -6.4181 -6.4181 -6.4162 -6.4162 -6.1191 -6.1191 -6.1159 -6.1159 -5.8764 -5.8764 -5.8764 -5.8764 -5.7769 -5.7769 -5.7767 -5.7767 -5.5286 -5.5286 -5.5267 -5.5267 -3.7460 -3.7460 -3.7448 -3.7448 -3.5279 -3.5279 -3.5273 -3.5273 -3.1996 -3.1996 -3.1992 -3.1992 -3.1587 -3.1587 -3.1578 -3.1578 4.1550 4.1550 4.1582 4.1582 4.6570 4.6570 4.6595 4.6595 5.4176 5.4176 5.4194 5.4194 k = 0.4524-0.0000 0.5029 ( 11312 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4103 -9.4103 -9.4100 -9.4100 -9.1923 -9.1923 -9.1920 -9.1920 -6.5864 -6.5864 -6.5835 -6.5835 -6.4165 -6.4165 -6.4146 -6.4146 -6.1193 -6.1193 -6.1159 -6.1159 -5.8770 -5.8770 -5.8769 -5.8769 -5.7767 -5.7767 -5.7765 -5.7765 -5.5299 -5.5299 -5.5279 -5.5279 -3.7443 -3.7443 -3.7430 -3.7430 -3.5311 -3.5311 -3.5305 -3.5305 -3.1937 -3.1937 -3.1932 -3.1932 -3.1628 -3.1628 -3.1620 -3.1620 4.1616 4.1616 4.1648 4.1648 4.6661 4.6661 4.6687 4.6687 5.4118 5.4118 5.4138 5.4138 k = 0.4762-0.0000 0.5029 ( 11318 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4105 -9.4105 -9.4103 -9.4103 -9.1921 -9.1921 -9.1918 -9.1918 -6.5866 -6.5866 -6.5838 -6.5838 -6.4154 -6.4154 -6.4136 -6.4136 -6.1195 -6.1195 -6.1160 -6.1160 -5.8773 -5.8773 -5.8772 -5.8772 -5.7766 -5.7766 -5.7764 -5.7764 -5.5306 -5.5306 -5.5286 -5.5286 -3.7432 -3.7432 -3.7419 -3.7419 -3.5331 -3.5331 -3.5324 -3.5324 -3.1892 -3.1892 -3.1885 -3.1885 -3.1663 -3.1663 -3.1656 -3.1656 4.1657 4.1657 4.1689 4.1689 4.6718 4.6718 4.6743 4.6743 5.4086 5.4086 5.4108 5.4108 k = 0.5000-0.0000 0.5029 ( 11332 PWs) bands (ev): -24.9757 -24.9757 -24.9757 -24.9757 -24.9029 -24.9029 -24.9029 -24.9029 -9.4106 -9.4106 -9.4104 -9.4104 -9.1920 -9.1920 -9.1917 -9.1917 -6.5867 -6.5867 -6.5838 -6.5838 -6.4151 -6.4151 -6.4133 -6.4133 -6.1195 -6.1195 -6.1160 -6.1160 -5.8774 -5.8774 -5.8774 -5.8774 -5.7766 -5.7766 -5.7763 -5.7763 -5.5309 -5.5309 -5.5289 -5.5289 -3.7428 -3.7428 -3.7416 -3.7416 -3.5338 -3.5338 -3.5331 -3.5331 -3.1873 -3.1873 -3.1865 -3.1865 -3.1678 -3.1678 -3.1672 -3.1672 4.1670 4.1670 4.1703 4.1703 4.6737 4.6737 4.6763 4.6763 5.4077 5.4077 5.4099 5.4099 Writing output data file SiH3F.save init_run : 0.51s CPU 0.64s WALL ( 1 calls) electrons : 349.56s CPU 353.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 349.56s CPU 353.06s 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 : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 224 calls) cegterg : 320.59s CPU 323.45s WALL ( 399 calls) Called by sum_band: Called by *egterg: h_psi : 207.75s CPU 210.60s WALL ( 5639 calls) s_psi : 7.84s CPU 7.95s WALL ( 5639 calls) g_psi : 0.25s CPU 0.29s WALL ( 5016 calls) cdiaghg : 98.87s CPU 99.14s WALL ( 5240 calls) cegterg:over : 13.21s CPU 13.25s WALL ( 5016 calls) cegterg:upda : 9.04s CPU 9.09s WALL ( 5016 calls) cegterg:last : 4.74s CPU 4.69s WALL ( 847 calls) cdiaghg:chol : 3.60s CPU 3.95s WALL ( 5240 calls) cdiaghg:inve : 2.99s CPU 2.84s WALL ( 5240 calls) cdiaghg:para : 6.00s CPU 5.88s WALL ( 10480 calls) Called by h_psi: h_psi:vloc : 188.73s CPU 191.58s WALL ( 5639 calls) h_psi:vnl : 18.70s CPU 18.68s WALL ( 5639 calls) add_vuspsi : 9.36s CPU 9.13s WALL ( 5639 calls) General routines calbec : 9.29s CPU 9.54s WALL ( 5639 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 181.68s CPU 184.20s WALL ( 760892 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.24s WALL ( 448 calls) Parallel routines fft_scatter : 112.72s CPU 113.76s WALL ( 760915 calls) PWSCF : 6m32.06s CPU 6m52.28s WALL This run was terminated on: 21: 4:15 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=