Program PWSCF v.5.1.1 starts on 19Jul2015 at 0:42:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SnS.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 18 5 3620 2420 381 Max 25 19 6 3641 2463 406 Sum 1169 885 261 174001 117033 18595 bravais-lattice index = 14 lattice parameter (alat) = 7.6469 a.u. unit-cell volume = 2606.3248 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.646896 celldm(2)= 1.000000 celldm(3)= 5.829144 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.012092 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.012092 0.999927 0.000000 ) a(3) = ( 0.000000 0.000000 5.829144 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.012093 -0.000000 ) b(2) = ( 0.000000 1.000073 -0.000000 ) b(3) = ( 0.000000 0.000000 0.171552 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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. # 2 for Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5060460 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4999634 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0089823 0.0090916 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0179646 0.0181831 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0269469 0.0272747 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0359292 0.0363663 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0449115 0.0454579 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0538938 0.0545494 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0628761 0.0636410 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0718584 0.0727326 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0808407 0.0818242 -0.0000000), wk = 0.0029412 k( 11) = ( 0.0898230 0.0909157 -0.0000000), wk = 0.0029412 k( 12) = ( 0.0988052 0.1000073 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1077875 0.1090989 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1167698 0.1181905 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1257521 0.1272820 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1347344 0.1363736 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1437167 0.1454652 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1526990 0.1545568 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1616813 0.1636483 -0.0000000), wk = 0.0029412 k( 20) = ( 0.1706636 0.1727399 -0.0000000), wk = 0.0029412 k( 21) = ( 0.1796459 0.1818315 -0.0000000), wk = 0.0029412 k( 22) = ( 0.1886282 0.1909231 -0.0000000), wk = 0.0029412 k( 23) = ( 0.1976105 0.2000146 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2065928 0.2091062 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2155751 0.2181978 -0.0000000), wk = 0.0029412 k( 26) = ( 0.2245574 0.2272893 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2335397 0.2363809 -0.0000000), wk = 0.0029412 k( 28) = ( 0.2425220 0.2454725 -0.0000000), wk = 0.0029412 k( 29) = ( 0.2515043 0.2545641 -0.0000000), wk = 0.0029412 k( 30) = ( 0.2604866 0.2636556 -0.0000000), wk = 0.0029412 k( 31) = ( 0.2694689 0.2727472 -0.0000000), wk = 0.0029412 k( 32) = ( 0.2784512 0.2818388 -0.0000000), wk = 0.0029412 k( 33) = ( 0.2874335 0.2909304 -0.0000000), wk = 0.0029412 k( 34) = ( 0.2964157 0.3000219 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3053980 0.3091135 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3143803 0.3182051 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3233626 0.3272967 -0.0000000), wk = 0.0029412 k( 38) = ( 0.3323449 0.3363882 -0.0000000), wk = 0.0029412 k( 39) = ( 0.3413272 0.3454798 -0.0000000), wk = 0.0029412 k( 40) = ( 0.3503095 0.3545714 -0.0000000), wk = 0.0029412 k( 41) = ( 0.3592918 0.3636630 -0.0000000), wk = 0.0029412 k( 42) = ( 0.3682741 0.3727545 -0.0000000), wk = 0.0029412 k( 43) = ( 0.3772564 0.3818461 -0.0000000), wk = 0.0029412 k( 44) = ( 0.3862387 0.3909377 -0.0000000), wk = 0.0029412 k( 45) = ( 0.3952210 0.4000292 -0.0000000), wk = 0.0029412 k( 46) = ( 0.4042033 0.4091208 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4131856 0.4182124 -0.0000000), wk = 0.0029412 k( 48) = ( 0.4221679 0.4273040 -0.0000000), wk = 0.0029412 k( 49) = ( 0.4311502 0.4363955 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4401325 0.4454871 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4491148 0.4545787 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4580971 0.4636703 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4670794 0.4727618 -0.0000000), wk = 0.0029412 k( 54) = ( 0.4760617 0.4818534 -0.0000000), wk = 0.0029412 k( 55) = ( 0.4850440 0.4909450 -0.0000000), wk = 0.0029412 k( 56) = ( 0.4940263 0.5000366 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4940263 0.5000366 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4813589 0.5000366 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4686916 0.5000366 -0.0000000), wk = 0.0029412 k( 60) = ( 0.4560242 0.5000366 -0.0000000), wk = 0.0029412 k( 61) = ( 0.4433569 0.5000366 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4306895 0.5000366 -0.0000000), wk = 0.0029412 k( 63) = ( 0.4180222 0.5000366 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4053549 0.5000366 -0.0000000), wk = 0.0029412 k( 65) = ( 0.3926875 0.5000366 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3800202 0.5000366 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3673529 0.5000366 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3546855 0.5000366 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3420182 0.5000366 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3293508 0.5000366 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3166835 0.5000366 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3040162 0.5000366 -0.0000000), wk = 0.0029412 k( 73) = ( 0.2913488 0.5000366 -0.0000000), wk = 0.0029412 k( 74) = ( 0.2786815 0.5000366 -0.0000000), wk = 0.0029412 k( 75) = ( 0.2660141 0.5000366 -0.0000000), wk = 0.0029412 k( 76) = ( 0.2533468 0.5000366 -0.0000000), wk = 0.0029412 k( 77) = ( 0.2406795 0.5000366 -0.0000000), wk = 0.0029412 k( 78) = ( 0.2280121 0.5000366 -0.0000000), wk = 0.0029412 k( 79) = ( 0.2153448 0.5000366 -0.0000000), wk = 0.0029412 k( 80) = ( 0.2026774 0.5000366 -0.0000000), wk = 0.0029412 k( 81) = ( 0.1900101 0.5000366 -0.0000000), wk = 0.0029412 k( 82) = ( 0.1773428 0.5000366 -0.0000000), wk = 0.0029412 k( 83) = ( 0.1646754 0.5000366 -0.0000000), wk = 0.0029412 k( 84) = ( 0.1520081 0.5000366 -0.0000000), wk = 0.0029412 k( 85) = ( 0.1393407 0.5000366 -0.0000000), wk = 0.0029412 k( 86) = ( 0.1266734 0.5000366 -0.0000000), wk = 0.0029412 k( 87) = ( 0.1140061 0.5000366 -0.0000000), wk = 0.0029412 k( 88) = ( 0.1013387 0.5000366 -0.0000000), wk = 0.0029412 k( 89) = ( 0.0886714 0.5000366 -0.0000000), wk = 0.0029412 k( 90) = ( 0.0760040 0.5000366 -0.0000000), wk = 0.0029412 k( 91) = ( 0.0633367 0.5000366 -0.0000000), wk = 0.0029412 k( 92) = ( 0.0506694 0.5000366 -0.0000000), wk = 0.0029412 k( 93) = ( 0.0380020 0.5000366 -0.0000000), wk = 0.0029412 k( 94) = ( 0.0253347 0.5000366 -0.0000000), wk = 0.0029412 k( 95) = ( 0.0126673 0.5000366 -0.0000000), wk = 0.0029412 k( 96) = ( 0.0000000 0.5000366 -0.0000000), wk = 0.0029412 k( 97) = ( 0.0000000 0.5000366 -0.0000000), wk = 0.0029412 k( 98) = ( 0.0000000 0.5000366 0.0122537), wk = 0.0029412 k( 99) = ( 0.0000000 0.5000366 0.0245074), wk = 0.0029412 k( 100) = ( 0.0000000 0.5000366 0.0367611), wk = 0.0029412 k( 101) = ( 0.0000000 0.5000366 0.0490148), wk = 0.0029412 k( 102) = ( 0.0000000 0.5000366 0.0612685), wk = 0.0029412 k( 103) = ( 0.0000000 0.5000366 0.0735222), wk = 0.0029412 k( 104) = ( 0.0000000 0.5000366 0.0857759), wk = 0.0029412 k( 105) = ( 0.0000000 0.5000366 0.0857759), wk = 0.0029412 k( 106) = ( 0.0126673 0.5000366 0.0857759), wk = 0.0029412 k( 107) = ( 0.0253347 0.5000366 0.0857759), wk = 0.0029412 k( 108) = ( 0.0380020 0.5000366 0.0857759), wk = 0.0029412 k( 109) = ( 0.0506694 0.5000366 0.0857759), wk = 0.0029412 k( 110) = ( 0.0633367 0.5000366 0.0857759), wk = 0.0029412 k( 111) = ( 0.0760040 0.5000366 0.0857759), wk = 0.0029412 k( 112) = ( 0.0886714 0.5000366 0.0857759), wk = 0.0029412 k( 113) = ( 0.1013387 0.5000366 0.0857759), wk = 0.0029412 k( 114) = ( 0.1140061 0.5000366 0.0857759), wk = 0.0029412 k( 115) = ( 0.1266734 0.5000366 0.0857759), wk = 0.0029412 k( 116) = ( 0.1393407 0.5000366 0.0857759), wk = 0.0029412 k( 117) = ( 0.1520081 0.5000366 0.0857759), wk = 0.0029412 k( 118) = ( 0.1646754 0.5000366 0.0857759), wk = 0.0029412 k( 119) = ( 0.1773428 0.5000366 0.0857759), wk = 0.0029412 k( 120) = ( 0.1900101 0.5000366 0.0857759), wk = 0.0029412 k( 121) = ( 0.2026774 0.5000366 0.0857759), wk = 0.0029412 k( 122) = ( 0.2153448 0.5000366 0.0857759), wk = 0.0029412 k( 123) = ( 0.2280121 0.5000366 0.0857759), wk = 0.0029412 k( 124) = ( 0.2406795 0.5000366 0.0857759), wk = 0.0029412 k( 125) = ( 0.2533468 0.5000366 0.0857759), wk = 0.0029412 k( 126) = ( 0.2660141 0.5000366 0.0857759), wk = 0.0029412 k( 127) = ( 0.2786815 0.5000366 0.0857759), wk = 0.0029412 k( 128) = ( 0.2913488 0.5000366 0.0857759), wk = 0.0029412 k( 129) = ( 0.3040162 0.5000366 0.0857759), wk = 0.0029412 k( 130) = ( 0.3166835 0.5000366 0.0857759), wk = 0.0029412 k( 131) = ( 0.3293508 0.5000366 0.0857759), wk = 0.0029412 k( 132) = ( 0.3420182 0.5000366 0.0857759), wk = 0.0029412 k( 133) = ( 0.3546855 0.5000366 0.0857759), wk = 0.0029412 k( 134) = ( 0.3673529 0.5000366 0.0857759), wk = 0.0029412 k( 135) = ( 0.3800202 0.5000366 0.0857759), wk = 0.0029412 k( 136) = ( 0.3926875 0.5000366 0.0857759), wk = 0.0029412 k( 137) = ( 0.4053549 0.5000366 0.0857759), wk = 0.0029412 k( 138) = ( 0.4180222 0.5000366 0.0857759), wk = 0.0029412 k( 139) = ( 0.4306895 0.5000366 0.0857759), wk = 0.0029412 k( 140) = ( 0.4433569 0.5000366 0.0857759), wk = 0.0029412 k( 141) = ( 0.4560242 0.5000366 0.0857759), wk = 0.0029412 k( 142) = ( 0.4686916 0.5000366 0.0857759), wk = 0.0029412 k( 143) = ( 0.4813589 0.5000366 0.0857759), wk = 0.0029412 k( 144) = ( 0.4940263 0.5000366 0.0857759), wk = 0.0029412 k( 145) = ( 0.4940263 0.5000366 0.0857759), wk = 0.0029412 k( 146) = ( 0.4850440 0.4909450 0.0857759), wk = 0.0029412 k( 147) = ( 0.4760617 0.4818534 0.0857759), wk = 0.0029412 k( 148) = ( 0.4670794 0.4727618 0.0857759), wk = 0.0029412 k( 149) = ( 0.4580971 0.4636703 0.0857759), wk = 0.0029412 k( 150) = ( 0.4491148 0.4545787 0.0857759), wk = 0.0029412 k( 151) = ( 0.4401325 0.4454871 0.0857759), wk = 0.0029412 k( 152) = ( 0.4311502 0.4363955 0.0857759), wk = 0.0029412 k( 153) = ( 0.4221679 0.4273040 0.0857759), wk = 0.0029412 k( 154) = ( 0.4131856 0.4182124 0.0857759), wk = 0.0029412 k( 155) = ( 0.4042033 0.4091208 0.0857759), wk = 0.0029412 k( 156) = ( 0.3952210 0.4000292 0.0857759), wk = 0.0029412 k( 157) = ( 0.3862387 0.3909377 0.0857759), wk = 0.0029412 k( 158) = ( 0.3772564 0.3818461 0.0857759), wk = 0.0029412 k( 159) = ( 0.3682741 0.3727545 0.0857759), wk = 0.0029412 k( 160) = ( 0.3592918 0.3636630 0.0857759), wk = 0.0029412 k( 161) = ( 0.3503095 0.3545714 0.0857759), wk = 0.0029412 k( 162) = ( 0.3413272 0.3454798 0.0857759), wk = 0.0029412 k( 163) = ( 0.3323449 0.3363882 0.0857759), wk = 0.0029412 k( 164) = ( 0.3233626 0.3272967 0.0857759), wk = 0.0029412 k( 165) = ( 0.3143803 0.3182051 0.0857759), wk = 0.0029412 k( 166) = ( 0.3053980 0.3091135 0.0857759), wk = 0.0029412 k( 167) = ( 0.2964157 0.3000219 0.0857759), wk = 0.0029412 k( 168) = ( 0.2874335 0.2909304 0.0857759), wk = 0.0029412 k( 169) = ( 0.2784512 0.2818388 0.0857759), wk = 0.0029412 k( 170) = ( 0.2694689 0.2727472 0.0857759), wk = 0.0029412 k( 171) = ( 0.2604866 0.2636556 0.0857759), wk = 0.0029412 k( 172) = ( 0.2515043 0.2545641 0.0857759), wk = 0.0029412 k( 173) = ( 0.2425220 0.2454725 0.0857759), wk = 0.0029412 k( 174) = ( 0.2335397 0.2363809 0.0857759), wk = 0.0029412 k( 175) = ( 0.2245574 0.2272893 0.0857759), wk = 0.0029412 k( 176) = ( 0.2155751 0.2181978 0.0857759), wk = 0.0029412 k( 177) = ( 0.2065928 0.2091062 0.0857759), wk = 0.0029412 k( 178) = ( 0.1976105 0.2000146 0.0857759), wk = 0.0029412 k( 179) = ( 0.1886282 0.1909231 0.0857759), wk = 0.0029412 k( 180) = ( 0.1796459 0.1818315 0.0857759), wk = 0.0029412 k( 181) = ( 0.1706636 0.1727399 0.0857759), wk = 0.0029412 k( 182) = ( 0.1616813 0.1636483 0.0857759), wk = 0.0029412 k( 183) = ( 0.1526990 0.1545568 0.0857759), wk = 0.0029412 k( 184) = ( 0.1437167 0.1454652 0.0857759), wk = 0.0029412 k( 185) = ( 0.1347344 0.1363736 0.0857759), wk = 0.0029412 k( 186) = ( 0.1257521 0.1272820 0.0857759), wk = 0.0029412 k( 187) = ( 0.1167698 0.1181905 0.0857759), wk = 0.0029412 k( 188) = ( 0.1077875 0.1090989 0.0857759), wk = 0.0029412 k( 189) = ( 0.0988052 0.1000073 0.0857759), wk = 0.0029412 k( 190) = ( 0.0898230 0.0909157 0.0857759), wk = 0.0029412 k( 191) = ( 0.0808407 0.0818242 0.0857759), wk = 0.0029412 k( 192) = ( 0.0718584 0.0727326 0.0857759), wk = 0.0029412 k( 193) = ( 0.0628761 0.0636410 0.0857759), wk = 0.0029412 k( 194) = ( 0.0538938 0.0545494 0.0857759), wk = 0.0029412 k( 195) = ( 0.0449115 0.0454579 0.0857759), wk = 0.0029412 k( 196) = ( 0.0359292 0.0363663 0.0857759), wk = 0.0029412 k( 197) = ( 0.0269469 0.0272747 0.0857759), wk = 0.0029412 k( 198) = ( 0.0179646 0.0181831 0.0857759), wk = 0.0029412 k( 199) = ( 0.0089823 0.0090916 0.0857759), wk = 0.0029412 k( 200) = ( 0.0000000 0.0000000 0.0857759), wk = 0.0029412 k( 201) = ( 0.0000000 0.0000000 0.0857759), wk = 0.0029412 k( 202) = ( 0.0000000 0.0000000 0.0735222), wk = 0.0029412 k( 203) = ( 0.0000000 0.0000000 0.0612685), wk = 0.0029412 k( 204) = ( 0.0000000 0.0000000 0.0490148), wk = 0.0029412 k( 205) = ( 0.0000000 0.0000000 0.0367611), wk = 0.0029412 k( 206) = ( 0.0000000 0.0000000 0.0245074), wk = 0.0029412 k( 207) = ( 0.0000000 0.0000000 0.0122537), wk = 0.0029412 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 210) = ( -0.0090909 0.0089816 0.0000000), wk = 0.0029412 k( 211) = ( -0.0181818 0.0179633 0.0000000), wk = 0.0029412 k( 212) = ( -0.0272727 0.0269449 0.0000000), wk = 0.0029412 k( 213) = ( -0.0363636 0.0359266 0.0000000), wk = 0.0029412 k( 214) = ( -0.0454546 0.0449082 0.0000000), wk = 0.0029412 k( 215) = ( -0.0545455 0.0538898 0.0000000), wk = 0.0029412 k( 216) = ( -0.0636364 0.0628715 0.0000000), wk = 0.0029412 k( 217) = ( -0.0727273 0.0718531 0.0000000), wk = 0.0029412 k( 218) = ( -0.0818182 0.0808347 0.0000000), wk = 0.0029412 k( 219) = ( -0.0909091 0.0898164 0.0000000), wk = 0.0029412 k( 220) = ( -0.1000000 0.0987980 0.0000000), wk = 0.0029412 k( 221) = ( -0.1090909 0.1077797 0.0000000), wk = 0.0029412 k( 222) = ( -0.1181818 0.1167613 0.0000000), wk = 0.0029412 k( 223) = ( -0.1272727 0.1257429 0.0000000), wk = 0.0029412 k( 224) = ( -0.1363636 0.1347246 0.0000000), wk = 0.0029412 k( 225) = ( -0.1454545 0.1437062 0.0000000), wk = 0.0029412 k( 226) = ( -0.1545455 0.1526879 0.0000000), wk = 0.0029412 k( 227) = ( -0.1636364 0.1616695 0.0000000), wk = 0.0029412 k( 228) = ( -0.1727273 0.1706511 0.0000000), wk = 0.0029412 k( 229) = ( -0.1818182 0.1796328 0.0000000), wk = 0.0029412 k( 230) = ( -0.1909091 0.1886144 0.0000000), wk = 0.0029412 k( 231) = ( -0.2000000 0.1975961 0.0000000), wk = 0.0029412 k( 232) = ( -0.2090909 0.2065777 0.0000000), wk = 0.0029412 k( 233) = ( -0.2181818 0.2155593 0.0000000), wk = 0.0029412 k( 234) = ( -0.2272727 0.2245410 0.0000000), wk = 0.0029412 k( 235) = ( -0.2363636 0.2335226 0.0000000), wk = 0.0029412 k( 236) = ( -0.2454545 0.2425043 0.0000000), wk = 0.0029412 k( 237) = ( -0.2545455 0.2514859 0.0000000), wk = 0.0029412 k( 238) = ( -0.2636364 0.2604675 0.0000000), wk = 0.0029412 k( 239) = ( -0.2727273 0.2694492 0.0000000), wk = 0.0029412 k( 240) = ( -0.2818182 0.2784308 0.0000000), wk = 0.0029412 k( 241) = ( -0.2909091 0.2874124 0.0000000), wk = 0.0029412 k( 242) = ( -0.3000000 0.2963941 0.0000000), wk = 0.0029412 k( 243) = ( -0.3090909 0.3053757 0.0000000), wk = 0.0029412 k( 244) = ( -0.3181818 0.3143574 0.0000000), wk = 0.0029412 k( 245) = ( -0.3272727 0.3233390 0.0000000), wk = 0.0029412 k( 246) = ( -0.3363636 0.3323206 0.0000000), wk = 0.0029412 k( 247) = ( -0.3454546 0.3413023 0.0000000), wk = 0.0029412 k( 248) = ( -0.3545454 0.3502839 0.0000000), wk = 0.0029412 k( 249) = ( -0.3636364 0.3592655 0.0000000), wk = 0.0029412 k( 250) = ( -0.3727273 0.3682472 0.0000000), wk = 0.0029412 k( 251) = ( -0.3818182 0.3772288 0.0000000), wk = 0.0029412 k( 252) = ( -0.3909091 0.3862105 0.0000000), wk = 0.0029412 k( 253) = ( -0.4000000 0.3951921 0.0000000), wk = 0.0029412 k( 254) = ( -0.4090909 0.4041737 0.0000000), wk = 0.0029412 k( 255) = ( -0.4181818 0.4131554 0.0000000), wk = 0.0029412 k( 256) = ( -0.4272727 0.4221370 0.0000000), wk = 0.0029412 k( 257) = ( -0.4363636 0.4311187 0.0000000), wk = 0.0029412 k( 258) = ( -0.4454546 0.4401003 0.0000000), wk = 0.0029412 k( 259) = ( -0.4545455 0.4490819 0.0000000), wk = 0.0029412 k( 260) = ( -0.4636364 0.4580636 0.0000000), wk = 0.0029412 k( 261) = ( -0.4727273 0.4670452 0.0000000), wk = 0.0029412 k( 262) = ( -0.4818182 0.4760269 0.0000000), wk = 0.0029412 k( 263) = ( -0.4909091 0.4850085 0.0000000), wk = 0.0029412 k( 264) = ( -0.5000000 0.4939901 0.0000000), wk = 0.0029412 k( 265) = ( -0.5000000 0.4939901 0.0000000), wk = 0.0029412 k( 266) = ( -0.4940263 0.5000366 -0.0000000), wk = 0.0029412 k( 267) = ( -0.4940263 0.5000366 -0.0000000), wk = 0.0029412 k( 268) = ( -0.4940263 0.5000366 0.0122537), wk = 0.0029412 k( 269) = ( -0.4940263 0.5000366 0.0245074), wk = 0.0029412 k( 270) = ( -0.4940263 0.5000366 0.0367611), wk = 0.0029412 k( 271) = ( -0.4940263 0.5000366 0.0490148), wk = 0.0029412 k( 272) = ( -0.4940263 0.5000366 0.0612685), wk = 0.0029412 k( 273) = ( -0.4940263 0.5000366 0.0735222), wk = 0.0029412 k( 274) = ( -0.4940263 0.5000366 0.0857759), wk = 0.0029412 k( 275) = ( -0.4940263 0.5000366 0.0857759), wk = 0.0029412 k( 276) = ( -0.5000000 0.4939901 0.0857759), wk = 0.0029412 k( 277) = ( -0.5000000 0.4939901 0.0857759), wk = 0.0029412 k( 278) = ( -0.5000000 0.4939901 0.0735222), wk = 0.0029412 k( 279) = ( -0.5000000 0.4939901 0.0612685), wk = 0.0029412 k( 280) = ( -0.5000000 0.4939901 0.0490148), wk = 0.0029412 k( 281) = ( -0.5000000 0.4939901 0.0367611), wk = 0.0029412 k( 282) = ( -0.5000000 0.4939901 0.0245074), wk = 0.0029412 k( 283) = ( -0.5000000 0.4939901 0.0122537), wk = 0.0029412 k( 284) = ( -0.5000000 0.4939901 0.0000000), wk = 0.0029412 k( 285) = ( 0.0000000 0.0000000 0.0857759), wk = 0.0029412 k( 286) = ( -0.0090909 0.0089816 0.0857759), wk = 0.0029412 k( 287) = ( -0.0181818 0.0179633 0.0857759), wk = 0.0029412 k( 288) = ( -0.0272727 0.0269449 0.0857759), wk = 0.0029412 k( 289) = ( -0.0363636 0.0359266 0.0857759), wk = 0.0029412 k( 290) = ( -0.0454546 0.0449082 0.0857759), wk = 0.0029412 k( 291) = ( -0.0545455 0.0538898 0.0857759), wk = 0.0029412 k( 292) = ( -0.0636364 0.0628715 0.0857759), wk = 0.0029412 k( 293) = ( -0.0727273 0.0718531 0.0857759), wk = 0.0029412 k( 294) = ( -0.0818182 0.0808347 0.0857759), wk = 0.0029412 k( 295) = ( -0.0909091 0.0898164 0.0857759), wk = 0.0029412 k( 296) = ( -0.1000000 0.0987980 0.0857759), wk = 0.0029412 k( 297) = ( -0.1090909 0.1077797 0.0857759), wk = 0.0029412 k( 298) = ( -0.1181818 0.1167613 0.0857759), wk = 0.0029412 k( 299) = ( -0.1272727 0.1257429 0.0857759), wk = 0.0029412 k( 300) = ( -0.1363636 0.1347246 0.0857759), wk = 0.0029412 k( 301) = ( -0.1454545 0.1437062 0.0857759), wk = 0.0029412 k( 302) = ( -0.1545455 0.1526879 0.0857759), wk = 0.0029412 k( 303) = ( -0.1636364 0.1616695 0.0857759), wk = 0.0029412 k( 304) = ( -0.1727273 0.1706511 0.0857759), wk = 0.0029412 k( 305) = ( -0.1818182 0.1796328 0.0857759), wk = 0.0029412 k( 306) = ( -0.1909091 0.1886144 0.0857759), wk = 0.0029412 k( 307) = ( -0.2000000 0.1975961 0.0857759), wk = 0.0029412 k( 308) = ( -0.2090909 0.2065777 0.0857759), wk = 0.0029412 k( 309) = ( -0.2181818 0.2155593 0.0857759), wk = 0.0029412 k( 310) = ( -0.2272727 0.2245410 0.0857759), wk = 0.0029412 k( 311) = ( -0.2363636 0.2335226 0.0857759), wk = 0.0029412 k( 312) = ( -0.2454545 0.2425043 0.0857759), wk = 0.0029412 k( 313) = ( -0.2545455 0.2514859 0.0857759), wk = 0.0029412 k( 314) = ( -0.2636364 0.2604675 0.0857759), wk = 0.0029412 k( 315) = ( -0.2727273 0.2694492 0.0857759), wk = 0.0029412 k( 316) = ( -0.2818182 0.2784308 0.0857759), wk = 0.0029412 k( 317) = ( -0.2909091 0.2874124 0.0857759), wk = 0.0029412 k( 318) = ( -0.3000000 0.2963941 0.0857759), wk = 0.0029412 k( 319) = ( -0.3090909 0.3053757 0.0857759), wk = 0.0029412 k( 320) = ( -0.3181818 0.3143574 0.0857759), wk = 0.0029412 k( 321) = ( -0.3272727 0.3233390 0.0857759), wk = 0.0029412 k( 322) = ( -0.3363636 0.3323206 0.0857759), wk = 0.0029412 k( 323) = ( -0.3454546 0.3413023 0.0857759), wk = 0.0029412 k( 324) = ( -0.3545454 0.3502839 0.0857759), wk = 0.0029412 k( 325) = ( -0.3636364 0.3592655 0.0857759), wk = 0.0029412 k( 326) = ( -0.3727273 0.3682472 0.0857759), wk = 0.0029412 k( 327) = ( -0.3818182 0.3772288 0.0857759), wk = 0.0029412 k( 328) = ( -0.3909091 0.3862105 0.0857759), wk = 0.0029412 k( 329) = ( -0.4000000 0.3951921 0.0857759), wk = 0.0029412 k( 330) = ( -0.4090909 0.4041737 0.0857759), wk = 0.0029412 k( 331) = ( -0.4181818 0.4131554 0.0857759), wk = 0.0029412 k( 332) = ( -0.4272727 0.4221370 0.0857759), wk = 0.0029412 k( 333) = ( -0.4363636 0.4311187 0.0857759), wk = 0.0029412 k( 334) = ( -0.4454546 0.4401003 0.0857759), wk = 0.0029412 k( 335) = ( -0.4545455 0.4490819 0.0857759), wk = 0.0029412 k( 336) = ( -0.4636364 0.4580636 0.0857759), wk = 0.0029412 k( 337) = ( -0.4727273 0.4670452 0.0857759), wk = 0.0029412 k( 338) = ( -0.4818182 0.4760269 0.0857759), wk = 0.0029412 k( 339) = ( -0.4909091 0.4850085 0.0857759), wk = 0.0029412 k( 340) = ( -0.5000000 0.4939901 0.0857759), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0089823 0.0089823 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0179646 0.0179646 0.0000000), wk = 0.0029412 k( 4) = ( 0.0269469 0.0269469 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0359292 0.0359292 0.0000000), wk = 0.0029412 k( 6) = ( 0.0449115 0.0449115 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0538938 0.0538938 0.0000000), wk = 0.0029412 k( 8) = ( 0.0628761 0.0628761 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0718584 0.0718584 0.0000000), wk = 0.0029412 k( 10) = ( 0.0808407 0.0808407 0.0000000), wk = 0.0029412 k( 11) = ( 0.0898230 0.0898230 -0.0000000), wk = 0.0029412 k( 12) = ( 0.0988052 0.0988052 0.0000000), wk = 0.0029412 k( 13) = ( 0.1077875 0.1077875 0.0000000), wk = 0.0029412 k( 14) = ( 0.1167698 0.1167698 0.0000000), wk = 0.0029412 k( 15) = ( 0.1257521 0.1257521 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1347344 0.1347344 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1437167 0.1437167 0.0000000), wk = 0.0029412 k( 18) = ( 0.1526990 0.1526990 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1616813 0.1616813 0.0000000), wk = 0.0029412 k( 20) = ( 0.1706636 0.1706636 0.0000000), wk = 0.0029412 k( 21) = ( 0.1796459 0.1796459 -0.0000000), wk = 0.0029412 k( 22) = ( 0.1886282 0.1886282 0.0000000), wk = 0.0029412 k( 23) = ( 0.1976105 0.1976105 0.0000000), wk = 0.0029412 k( 24) = ( 0.2065928 0.2065928 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2155751 0.2155751 -0.0000000), wk = 0.0029412 k( 26) = ( 0.2245574 0.2245574 0.0000000), wk = 0.0029412 k( 27) = ( 0.2335397 0.2335397 0.0000000), wk = 0.0029412 k( 28) = ( 0.2425220 0.2425220 0.0000000), wk = 0.0029412 k( 29) = ( 0.2515043 0.2515043 -0.0000000), wk = 0.0029412 k( 30) = ( 0.2604866 0.2604866 -0.0000000), wk = 0.0029412 k( 31) = ( 0.2694689 0.2694689 0.0000000), wk = 0.0029412 k( 32) = ( 0.2784512 0.2784512 0.0000000), wk = 0.0029412 k( 33) = ( 0.2874335 0.2874335 0.0000000), wk = 0.0029412 k( 34) = ( 0.2964157 0.2964157 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3053980 0.3053980 0.0000000), wk = 0.0029412 k( 36) = ( 0.3143803 0.3143803 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3233626 0.3233626 0.0000000), wk = 0.0029412 k( 38) = ( 0.3323449 0.3323449 -0.0000000), wk = 0.0029412 k( 39) = ( 0.3413272 0.3413272 -0.0000000), wk = 0.0029412 k( 40) = ( 0.3503095 0.3503095 -0.0000000), wk = 0.0029412 k( 41) = ( 0.3592918 0.3592918 -0.0000000), wk = 0.0029412 k( 42) = ( 0.3682741 0.3682741 -0.0000000), wk = 0.0029412 k( 43) = ( 0.3772564 0.3772564 0.0000000), wk = 0.0029412 k( 44) = ( 0.3862387 0.3862387 -0.0000000), wk = 0.0029412 k( 45) = ( 0.3952210 0.3952210 0.0000000), wk = 0.0029412 k( 46) = ( 0.4042033 0.4042033 0.0000000), wk = 0.0029412 k( 47) = ( 0.4131856 0.4131856 0.0000000), wk = 0.0029412 k( 48) = ( 0.4221679 0.4221679 0.0000000), wk = 0.0029412 k( 49) = ( 0.4311502 0.4311502 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4401325 0.4401325 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4491148 0.4491148 0.0000000), wk = 0.0029412 k( 52) = ( 0.4580971 0.4580971 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4670794 0.4670794 0.0000000), wk = 0.0029412 k( 54) = ( 0.4760617 0.4760617 0.0000000), wk = 0.0029412 k( 55) = ( 0.4850440 0.4850440 0.0000000), wk = 0.0029412 k( 56) = ( 0.4940263 0.4940262 0.0000000), wk = 0.0029412 k( 57) = ( 0.4940263 0.4940262 0.0000000), wk = 0.0029412 k( 58) = ( 0.4813589 0.4941794 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4686916 0.4943326 -0.0000000), wk = 0.0029412 k( 60) = ( 0.4560242 0.4944858 -0.0000000), wk = 0.0029412 k( 61) = ( 0.4433569 0.4946389 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4306895 0.4947921 0.0000000), wk = 0.0029412 k( 63) = ( 0.4180222 0.4949453 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4053549 0.4950985 0.0000000), wk = 0.0029412 k( 65) = ( 0.3926875 0.4952516 0.0000000), wk = 0.0029412 k( 66) = ( 0.3800202 0.4954048 0.0000000), wk = 0.0029412 k( 67) = ( 0.3673529 0.4955580 0.0000000), wk = 0.0029412 k( 68) = ( 0.3546855 0.4957112 0.0000000), wk = 0.0029412 k( 69) = ( 0.3420182 0.4958643 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3293508 0.4960175 0.0000000), wk = 0.0029412 k( 71) = ( 0.3166835 0.4961707 0.0000000), wk = 0.0029412 k( 72) = ( 0.3040162 0.4963238 -0.0000000), wk = 0.0029412 k( 73) = ( 0.2913488 0.4964770 -0.0000000), wk = 0.0029412 k( 74) = ( 0.2786815 0.4966302 -0.0000000), wk = 0.0029412 k( 75) = ( 0.2660141 0.4967834 0.0000000), wk = 0.0029412 k( 76) = ( 0.2533468 0.4969365 0.0000000), wk = 0.0029412 k( 77) = ( 0.2406795 0.4970897 0.0000000), wk = 0.0029412 k( 78) = ( 0.2280121 0.4972429 0.0000000), wk = 0.0029412 k( 79) = ( 0.2153448 0.4973961 0.0000000), wk = 0.0029412 k( 80) = ( 0.2026774 0.4975492 -0.0000000), wk = 0.0029412 k( 81) = ( 0.1900101 0.4977024 0.0000000), wk = 0.0029412 k( 82) = ( 0.1773428 0.4978556 0.0000000), wk = 0.0029412 k( 83) = ( 0.1646754 0.4980087 0.0000000), wk = 0.0029412 k( 84) = ( 0.1520081 0.4981619 0.0000000), wk = 0.0029412 k( 85) = ( 0.1393407 0.4983151 -0.0000000), wk = 0.0029412 k( 86) = ( 0.1266734 0.4984683 0.0000000), wk = 0.0029412 k( 87) = ( 0.1140061 0.4986214 0.0000000), wk = 0.0029412 k( 88) = ( 0.1013387 0.4987746 -0.0000000), wk = 0.0029412 k( 89) = ( 0.0886714 0.4989278 -0.0000000), wk = 0.0029412 k( 90) = ( 0.0760040 0.4990810 0.0000000), wk = 0.0029412 k( 91) = ( 0.0633367 0.4992341 -0.0000000), wk = 0.0029412 k( 92) = ( 0.0506694 0.4993873 0.0000000), wk = 0.0029412 k( 93) = ( 0.0380020 0.4995405 0.0000000), wk = 0.0029412 k( 94) = ( 0.0253347 0.4996936 0.0000000), wk = 0.0029412 k( 95) = ( 0.0126673 0.4998468 0.0000000), wk = 0.0029412 k( 96) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 97) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 98) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0029412 k( 99) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0029412 k( 100) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0029412 k( 101) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0029412 k( 102) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0029412 k( 103) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0029412 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 106) = ( 0.0126673 0.4998468 0.5000000), wk = 0.0029412 k( 107) = ( 0.0253347 0.4996936 0.5000000), wk = 0.0029412 k( 108) = ( 0.0380020 0.4995405 0.5000000), wk = 0.0029412 k( 109) = ( 0.0506694 0.4993873 0.5000000), wk = 0.0029412 k( 110) = ( 0.0633367 0.4992341 0.5000000), wk = 0.0029412 k( 111) = ( 0.0760040 0.4990810 0.5000000), wk = 0.0029412 k( 112) = ( 0.0886714 0.4989278 0.5000000), wk = 0.0029412 k( 113) = ( 0.1013387 0.4987746 0.5000000), wk = 0.0029412 k( 114) = ( 0.1140061 0.4986214 0.5000000), wk = 0.0029412 k( 115) = ( 0.1266734 0.4984683 0.5000000), wk = 0.0029412 k( 116) = ( 0.1393407 0.4983151 0.5000000), wk = 0.0029412 k( 117) = ( 0.1520081 0.4981619 0.5000000), wk = 0.0029412 k( 118) = ( 0.1646754 0.4980087 0.5000000), wk = 0.0029412 k( 119) = ( 0.1773428 0.4978556 0.5000000), wk = 0.0029412 k( 120) = ( 0.1900101 0.4977024 0.5000000), wk = 0.0029412 k( 121) = ( 0.2026774 0.4975492 0.5000000), wk = 0.0029412 k( 122) = ( 0.2153448 0.4973961 0.5000000), wk = 0.0029412 k( 123) = ( 0.2280121 0.4972429 0.5000000), wk = 0.0029412 k( 124) = ( 0.2406795 0.4970897 0.5000000), wk = 0.0029412 k( 125) = ( 0.2533468 0.4969365 0.5000000), wk = 0.0029412 k( 126) = ( 0.2660141 0.4967834 0.5000000), wk = 0.0029412 k( 127) = ( 0.2786815 0.4966302 0.5000000), wk = 0.0029412 k( 128) = ( 0.2913488 0.4964770 0.5000000), wk = 0.0029412 k( 129) = ( 0.3040162 0.4963238 0.5000000), wk = 0.0029412 k( 130) = ( 0.3166835 0.4961707 0.5000000), wk = 0.0029412 k( 131) = ( 0.3293508 0.4960175 0.5000000), wk = 0.0029412 k( 132) = ( 0.3420182 0.4958643 0.5000000), wk = 0.0029412 k( 133) = ( 0.3546855 0.4957112 0.5000000), wk = 0.0029412 k( 134) = ( 0.3673529 0.4955580 0.5000000), wk = 0.0029412 k( 135) = ( 0.3800202 0.4954048 0.5000000), wk = 0.0029412 k( 136) = ( 0.3926875 0.4952516 0.5000000), wk = 0.0029412 k( 137) = ( 0.4053549 0.4950985 0.5000000), wk = 0.0029412 k( 138) = ( 0.4180222 0.4949453 0.5000000), wk = 0.0029412 k( 139) = ( 0.4306895 0.4947921 0.5000000), wk = 0.0029412 k( 140) = ( 0.4433569 0.4946389 0.5000000), wk = 0.0029412 k( 141) = ( 0.4560242 0.4944858 0.5000000), wk = 0.0029412 k( 142) = ( 0.4686916 0.4943326 0.5000000), wk = 0.0029412 k( 143) = ( 0.4813589 0.4941794 0.5000000), wk = 0.0029412 k( 144) = ( 0.4940263 0.4940262 0.5000000), wk = 0.0029412 k( 145) = ( 0.4940263 0.4940262 0.5000000), wk = 0.0029412 k( 146) = ( 0.4850440 0.4850440 0.5000000), wk = 0.0029412 k( 147) = ( 0.4760617 0.4760617 0.5000000), wk = 0.0029412 k( 148) = ( 0.4670794 0.4670794 0.5000000), wk = 0.0029412 k( 149) = ( 0.4580971 0.4580971 0.5000000), wk = 0.0029412 k( 150) = ( 0.4491148 0.4491148 0.5000000), wk = 0.0029412 k( 151) = ( 0.4401325 0.4401325 0.5000000), wk = 0.0029412 k( 152) = ( 0.4311502 0.4311502 0.5000000), wk = 0.0029412 k( 153) = ( 0.4221679 0.4221679 0.5000000), wk = 0.0029412 k( 154) = ( 0.4131856 0.4131856 0.5000000), wk = 0.0029412 k( 155) = ( 0.4042033 0.4042033 0.5000000), wk = 0.0029412 k( 156) = ( 0.3952210 0.3952210 0.5000000), wk = 0.0029412 k( 157) = ( 0.3862387 0.3862387 0.5000000), wk = 0.0029412 k( 158) = ( 0.3772564 0.3772564 0.5000000), wk = 0.0029412 k( 159) = ( 0.3682741 0.3682741 0.5000000), wk = 0.0029412 k( 160) = ( 0.3592918 0.3592918 0.5000000), wk = 0.0029412 k( 161) = ( 0.3503095 0.3503095 0.5000000), wk = 0.0029412 k( 162) = ( 0.3413272 0.3413272 0.5000000), wk = 0.0029412 k( 163) = ( 0.3323449 0.3323449 0.5000000), wk = 0.0029412 k( 164) = ( 0.3233626 0.3233626 0.5000000), wk = 0.0029412 k( 165) = ( 0.3143803 0.3143803 0.5000000), wk = 0.0029412 k( 166) = ( 0.3053980 0.3053980 0.5000000), wk = 0.0029412 k( 167) = ( 0.2964157 0.2964157 0.5000000), wk = 0.0029412 k( 168) = ( 0.2874335 0.2874335 0.5000000), wk = 0.0029412 k( 169) = ( 0.2784512 0.2784512 0.5000000), wk = 0.0029412 k( 170) = ( 0.2694689 0.2694689 0.5000000), wk = 0.0029412 k( 171) = ( 0.2604866 0.2604866 0.5000000), wk = 0.0029412 k( 172) = ( 0.2515043 0.2515043 0.5000000), wk = 0.0029412 k( 173) = ( 0.2425220 0.2425220 0.5000000), wk = 0.0029412 k( 174) = ( 0.2335397 0.2335397 0.5000000), wk = 0.0029412 k( 175) = ( 0.2245574 0.2245574 0.5000000), wk = 0.0029412 k( 176) = ( 0.2155751 0.2155751 0.5000000), wk = 0.0029412 k( 177) = ( 0.2065928 0.2065928 0.5000000), wk = 0.0029412 k( 178) = ( 0.1976105 0.1976105 0.5000000), wk = 0.0029412 k( 179) = ( 0.1886282 0.1886282 0.5000000), wk = 0.0029412 k( 180) = ( 0.1796459 0.1796459 0.5000000), wk = 0.0029412 k( 181) = ( 0.1706636 0.1706636 0.5000000), wk = 0.0029412 k( 182) = ( 0.1616813 0.1616813 0.5000000), wk = 0.0029412 k( 183) = ( 0.1526990 0.1526990 0.5000000), wk = 0.0029412 k( 184) = ( 0.1437167 0.1437167 0.5000000), wk = 0.0029412 k( 185) = ( 0.1347344 0.1347344 0.5000000), wk = 0.0029412 k( 186) = ( 0.1257521 0.1257521 0.5000000), wk = 0.0029412 k( 187) = ( 0.1167698 0.1167698 0.5000000), wk = 0.0029412 k( 188) = ( 0.1077875 0.1077875 0.5000000), wk = 0.0029412 k( 189) = ( 0.0988052 0.0988052 0.5000000), wk = 0.0029412 k( 190) = ( 0.0898230 0.0898230 0.5000000), wk = 0.0029412 k( 191) = ( 0.0808407 0.0808407 0.5000000), wk = 0.0029412 k( 192) = ( 0.0718584 0.0718584 0.5000000), wk = 0.0029412 k( 193) = ( 0.0628761 0.0628761 0.5000000), wk = 0.0029412 k( 194) = ( 0.0538938 0.0538938 0.5000000), wk = 0.0029412 k( 195) = ( 0.0449115 0.0449115 0.5000000), wk = 0.0029412 k( 196) = ( 0.0359292 0.0359292 0.5000000), wk = 0.0029412 k( 197) = ( 0.0269469 0.0269469 0.5000000), wk = 0.0029412 k( 198) = ( 0.0179646 0.0179646 0.5000000), wk = 0.0029412 k( 199) = ( 0.0089823 0.0089823 0.5000000), wk = 0.0029412 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 202) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0029412 k( 203) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0029412 k( 204) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0029412 k( 205) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0029412 k( 206) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0029412 k( 207) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0029412 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 210) = ( -0.0090909 0.0090909 -0.0000000), wk = 0.0029412 k( 211) = ( -0.0181818 0.0181818 -0.0000000), wk = 0.0029412 k( 212) = ( -0.0272727 0.0272727 0.0000000), wk = 0.0029412 k( 213) = ( -0.0363636 0.0363636 -0.0000000), wk = 0.0029412 k( 214) = ( -0.0454546 0.0454546 -0.0000000), wk = 0.0029412 k( 215) = ( -0.0545455 0.0545455 -0.0000000), wk = 0.0029412 k( 216) = ( -0.0636364 0.0636364 0.0000000), wk = 0.0029412 k( 217) = ( -0.0727273 0.0727273 0.0000000), wk = 0.0029412 k( 218) = ( -0.0818182 0.0818182 0.0000000), wk = 0.0029412 k( 219) = ( -0.0909091 0.0909091 -0.0000000), wk = 0.0029412 k( 220) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0029412 k( 221) = ( -0.1090909 0.1090909 0.0000000), wk = 0.0029412 k( 222) = ( -0.1181818 0.1181818 0.0000000), wk = 0.0029412 k( 223) = ( -0.1272727 0.1272727 0.0000000), wk = 0.0029412 k( 224) = ( -0.1363636 0.1363636 0.0000000), wk = 0.0029412 k( 225) = ( -0.1454545 0.1454545 0.0000000), wk = 0.0029412 k( 226) = ( -0.1545455 0.1545454 0.0000000), wk = 0.0029412 k( 227) = ( -0.1636364 0.1636364 0.0000000), wk = 0.0029412 k( 228) = ( -0.1727273 0.1727273 0.0000000), wk = 0.0029412 k( 229) = ( -0.1818182 0.1818182 -0.0000000), wk = 0.0029412 k( 230) = ( -0.1909091 0.1909091 -0.0000000), wk = 0.0029412 k( 231) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0029412 k( 232) = ( -0.2090909 0.2090909 0.0000000), wk = 0.0029412 k( 233) = ( -0.2181818 0.2181818 0.0000000), wk = 0.0029412 k( 234) = ( -0.2272727 0.2272727 -0.0000000), wk = 0.0029412 k( 235) = ( -0.2363636 0.2363636 0.0000000), wk = 0.0029412 k( 236) = ( -0.2454545 0.2454545 -0.0000000), wk = 0.0029412 k( 237) = ( -0.2545455 0.2545455 0.0000000), wk = 0.0029412 k( 238) = ( -0.2636364 0.2636364 0.0000000), wk = 0.0029412 k( 239) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0029412 k( 240) = ( -0.2818182 0.2818182 0.0000000), wk = 0.0029412 k( 241) = ( -0.2909091 0.2909091 0.0000000), wk = 0.0029412 k( 242) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0029412 k( 243) = ( -0.3090909 0.3090909 -0.0000000), wk = 0.0029412 k( 244) = ( -0.3181818 0.3181818 -0.0000000), wk = 0.0029412 k( 245) = ( -0.3272727 0.3272727 -0.0000000), wk = 0.0029412 k( 246) = ( -0.3363636 0.3363636 -0.0000000), wk = 0.0029412 k( 247) = ( -0.3454546 0.3454546 -0.0000000), wk = 0.0029412 k( 248) = ( -0.3545454 0.3545454 0.0000000), wk = 0.0029412 k( 249) = ( -0.3636364 0.3636364 -0.0000000), wk = 0.0029412 k( 250) = ( -0.3727273 0.3727273 -0.0000000), wk = 0.0029412 k( 251) = ( -0.3818182 0.3818182 -0.0000000), wk = 0.0029412 k( 252) = ( -0.3909091 0.3909091 0.0000000), wk = 0.0029412 k( 253) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0029412 k( 254) = ( -0.4090909 0.4090909 0.0000000), wk = 0.0029412 k( 255) = ( -0.4181818 0.4181818 0.0000000), wk = 0.0029412 k( 256) = ( -0.4272727 0.4272727 0.0000000), wk = 0.0029412 k( 257) = ( -0.4363636 0.4363636 0.0000000), wk = 0.0029412 k( 258) = ( -0.4454546 0.4454545 -0.0000000), wk = 0.0029412 k( 259) = ( -0.4545455 0.4545454 0.0000000), wk = 0.0029412 k( 260) = ( -0.4636364 0.4636364 0.0000000), wk = 0.0029412 k( 261) = ( -0.4727273 0.4727273 0.0000000), wk = 0.0029412 k( 262) = ( -0.4818182 0.4818182 0.0000000), wk = 0.0029412 k( 263) = ( -0.4909091 0.4909091 0.0000000), wk = 0.0029412 k( 264) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029412 k( 265) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029412 k( 266) = ( -0.4940263 0.5059737 0.0000000), wk = 0.0029412 k( 267) = ( -0.4940263 0.5059737 0.0000000), wk = 0.0029412 k( 268) = ( -0.4940263 0.5059737 0.0714286), wk = 0.0029412 k( 269) = ( -0.4940263 0.5059737 0.1428571), wk = 0.0029412 k( 270) = ( -0.4940263 0.5059737 0.2142857), wk = 0.0029412 k( 271) = ( -0.4940263 0.5059737 0.2857143), wk = 0.0029412 k( 272) = ( -0.4940263 0.5059737 0.3571429), wk = 0.0029412 k( 273) = ( -0.4940263 0.5059737 0.4285714), wk = 0.0029412 k( 274) = ( -0.4940263 0.5059737 0.5000000), wk = 0.0029412 k( 275) = ( -0.4940263 0.5059737 0.5000000), wk = 0.0029412 k( 276) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 277) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 278) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0029412 k( 279) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0029412 k( 280) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0029412 k( 281) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0029412 k( 282) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0029412 k( 283) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0029412 k( 284) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029412 k( 285) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 286) = ( -0.0090909 0.0090909 0.5000000), wk = 0.0029412 k( 287) = ( -0.0181818 0.0181818 0.5000000), wk = 0.0029412 k( 288) = ( -0.0272727 0.0272727 0.5000000), wk = 0.0029412 k( 289) = ( -0.0363636 0.0363636 0.5000000), wk = 0.0029412 k( 290) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0029412 k( 291) = ( -0.0545455 0.0545455 0.5000000), wk = 0.0029412 k( 292) = ( -0.0636364 0.0636364 0.5000000), wk = 0.0029412 k( 293) = ( -0.0727273 0.0727273 0.5000000), wk = 0.0029412 k( 294) = ( -0.0818182 0.0818182 0.5000000), wk = 0.0029412 k( 295) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0029412 k( 296) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0029412 k( 297) = ( -0.1090909 0.1090909 0.5000000), wk = 0.0029412 k( 298) = ( -0.1181818 0.1181818 0.5000000), wk = 0.0029412 k( 299) = ( -0.1272727 0.1272727 0.5000000), wk = 0.0029412 k( 300) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0029412 k( 301) = ( -0.1454545 0.1454545 0.5000000), wk = 0.0029412 k( 302) = ( -0.1545455 0.1545454 0.5000000), wk = 0.0029412 k( 303) = ( -0.1636364 0.1636364 0.5000000), wk = 0.0029412 k( 304) = ( -0.1727273 0.1727273 0.5000000), wk = 0.0029412 k( 305) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0029412 k( 306) = ( -0.1909091 0.1909091 0.5000000), wk = 0.0029412 k( 307) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0029412 k( 308) = ( -0.2090909 0.2090909 0.5000000), wk = 0.0029412 k( 309) = ( -0.2181818 0.2181818 0.5000000), wk = 0.0029412 k( 310) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0029412 k( 311) = ( -0.2363636 0.2363636 0.5000000), wk = 0.0029412 k( 312) = ( -0.2454545 0.2454545 0.5000000), wk = 0.0029412 k( 313) = ( -0.2545455 0.2545455 0.5000000), wk = 0.0029412 k( 314) = ( -0.2636364 0.2636364 0.5000000), wk = 0.0029412 k( 315) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0029412 k( 316) = ( -0.2818182 0.2818182 0.5000000), wk = 0.0029412 k( 317) = ( -0.2909091 0.2909091 0.5000000), wk = 0.0029412 k( 318) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0029412 k( 319) = ( -0.3090909 0.3090909 0.5000000), wk = 0.0029412 k( 320) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0029412 k( 321) = ( -0.3272727 0.3272727 0.5000000), wk = 0.0029412 k( 322) = ( -0.3363636 0.3363636 0.5000000), wk = 0.0029412 k( 323) = ( -0.3454546 0.3454546 0.5000000), wk = 0.0029412 k( 324) = ( -0.3545454 0.3545454 0.5000000), wk = 0.0029412 k( 325) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0029412 k( 326) = ( -0.3727273 0.3727273 0.5000000), wk = 0.0029412 k( 327) = ( -0.3818182 0.3818182 0.5000000), wk = 0.0029412 k( 328) = ( -0.3909091 0.3909091 0.5000000), wk = 0.0029412 k( 329) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0029412 k( 330) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0029412 k( 331) = ( -0.4181818 0.4181818 0.5000000), wk = 0.0029412 k( 332) = ( -0.4272727 0.4272727 0.5000000), wk = 0.0029412 k( 333) = ( -0.4363636 0.4363636 0.5000000), wk = 0.0029412 k( 334) = ( -0.4454546 0.4454545 0.5000000), wk = 0.0029412 k( 335) = ( -0.4545455 0.4545454 0.5000000), wk = 0.0029412 k( 336) = ( -0.4636364 0.4636364 0.5000000), wk = 0.0029412 k( 337) = ( -0.4727273 0.4727273 0.5000000), wk = 0.0029412 k( 338) = ( -0.4818182 0.4818182 0.5000000), wk = 0.0029412 k( 339) = ( -0.4909091 0.4909091 0.5000000), wk = 0.0029412 k( 340) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 Dense grid: 174001 G-vectors FFT dimensions: ( 40, 40, 225) Smooth grid: 117033 G-vectors FFT dimensions: ( 36, 36, 200) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 656, 48) NL pseudopotentials 0.68 Mb ( 328, 136) Each V/rho on FFT grid 0.12 Mb ( 8000) Each G-vector array 0.03 Mb ( 3627) G-vector shells 0.01 Mb ( 1826) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.92 Mb ( 656, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SnS.save/charge-density.dat negative rho (up, down): 2.912E-03 0.000E+00 Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.4 secs Computing kpt #: 2 total cpu time spent up to now is 48.7 secs Computing kpt #: 3 total cpu time spent up to now is 52.8 secs Computing kpt #: 4 total cpu time spent up to now is 56.8 secs Computing kpt #: 5 total cpu time spent up to now is 61.1 secs Computing kpt #: 6 total cpu time spent up to now is 65.4 secs Computing kpt #: 7 total cpu time spent up to now is 70.4 secs Computing kpt #: 8 total cpu time spent up to now is 74.8 secs Computing kpt #: 9 total cpu time spent up to now is 80.7 secs Computing kpt #: 10 total cpu time spent up to now is 85.7 secs Computing kpt #: 11 total cpu time spent up to now is 91.7 secs Computing kpt #: 12 total cpu time spent up to now is 96.8 secs Computing kpt #: 13 total cpu time spent up to now is 101.2 secs Computing kpt #: 14 total cpu time spent up to now is 105.5 secs Computing kpt #: 15 total cpu time spent up to now is 108.6 secs Computing kpt #: 16 total cpu time spent up to now is 111.6 secs Computing kpt #: 17 total cpu time spent up to now is 114.6 secs Computing kpt #: 18 total cpu time spent up to now is 117.6 secs Computing kpt #: 19 total cpu time spent up to now is 120.5 secs Computing kpt #: 20 total cpu time spent up to now is 123.3 secs Computing kpt #: 21 total cpu time spent up to now is 126.1 secs Computing kpt #: 22 total cpu time spent up to now is 128.8 secs Computing kpt #: 23 total cpu time spent up to now is 131.7 secs Computing kpt #: 24 total cpu time spent up to now is 134.5 secs Computing kpt #: 25 total cpu time spent up to now is 137.2 secs Computing kpt #: 26 total cpu time spent up to now is 140.0 secs Computing kpt #: 27 total cpu time spent up to now is 142.9 secs Computing kpt #: 28 total cpu time spent up to now is 145.6 secs Computing kpt #: 29 total cpu time spent up to now is 148.3 secs Computing kpt #: 30 total cpu time spent up to now is 150.9 secs Computing kpt #: 31 total cpu time spent up to now is 153.5 secs Computing kpt #: 32 total cpu time spent up to now is 156.3 secs Computing kpt #: 33 total cpu time spent up to now is 159.0 secs Computing kpt #: 34 total cpu time spent up to now is 161.8 secs Computing kpt #: 35 total cpu time spent up to now is 164.7 secs Computing kpt #: 36 total cpu time spent up to now is 167.5 secs Computing kpt #: 37 total cpu time spent up to now is 170.4 secs Computing kpt #: 38 total cpu time spent up to now is 173.9 secs Computing kpt #: 39 total cpu time spent up to now is 177.2 secs Computing kpt #: 40 total cpu time spent up to now is 180.1 secs Computing kpt #: 41 total cpu time spent up to now is 182.9 secs Computing kpt #: 42 total cpu time spent up to now is 185.7 secs Computing kpt #: 43 total cpu time spent up to now is 188.5 secs Computing kpt #: 44 total cpu time spent up to now is 191.4 secs Computing kpt #: 45 total cpu time spent up to now is 194.2 secs Computing kpt #: 46 total cpu time spent up to now is 197.1 secs Computing kpt #: 47 total cpu time spent up to now is 199.9 secs Computing kpt #: 48 total cpu time spent up to now is 202.8 secs Computing kpt #: 49 total cpu time spent up to now is 205.7 secs Computing kpt #: 50 total cpu time spent up to now is 208.5 secs Computing kpt #: 51 total cpu time spent up to now is 211.4 secs Computing kpt #: 52 total cpu time spent up to now is 214.3 secs Computing kpt #: 53 total cpu time spent up to now is 217.4 secs Computing kpt #: 54 total cpu time spent up to now is 220.2 secs Computing kpt #: 55 total cpu time spent up to now is 223.1 secs Computing kpt #: 56 total cpu time spent up to now is 225.9 secs Computing kpt #: 57 total cpu time spent up to now is 228.8 secs Computing kpt #: 58 total cpu time spent up to now is 231.7 secs Computing kpt #: 59 total cpu time spent up to now is 234.6 secs Computing kpt #: 60 total cpu time spent up to now is 237.4 secs Computing kpt #: 61 total cpu time spent up to now is 240.4 secs Computing kpt #: 62 total cpu time spent up to now is 243.3 secs Computing kpt #: 63 total cpu time spent up to now is 246.1 secs Computing kpt #: 64 total cpu time spent up to now is 249.0 secs Computing kpt #: 65 total cpu time spent up to now is 251.7 secs Computing kpt #: 66 total cpu time spent up to now is 254.5 secs Computing kpt #: 67 total cpu time spent up to now is 257.3 secs Computing kpt #: 68 total cpu time spent up to now is 260.1 secs Computing kpt #: 69 total cpu time spent up to now is 262.8 secs Computing kpt #: 70 total cpu time spent up to now is 265.5 secs Computing kpt #: 71 total cpu time spent up to now is 268.3 secs Computing kpt #: 72 total cpu time spent up to now is 270.9 secs Computing kpt #: 73 total cpu time spent up to now is 273.5 secs Computing kpt #: 74 total cpu time spent up to now is 276.2 secs Computing kpt #: 75 total cpu time spent up to now is 278.9 secs Computing kpt #: 76 total cpu time spent up to now is 281.4 secs Computing kpt #: 77 total cpu time spent up to now is 284.0 secs Computing kpt #: 78 total cpu time spent up to now is 286.5 secs Computing kpt #: 79 total cpu time spent up to now is 289.2 secs Computing kpt #: 80 total cpu time spent up to now is 291.8 secs Computing kpt #: 81 total cpu time spent up to now is 294.5 secs Computing kpt #: 82 total cpu time spent up to now is 297.2 secs Computing kpt #: 83 total cpu time spent up to now is 299.8 secs Computing kpt #: 84 total cpu time spent up to now is 302.3 secs Computing kpt #: 85 total cpu time spent up to now is 305.3 secs Computing kpt #: 86 total cpu time spent up to now is 307.9 secs Computing kpt #: 87 total cpu time spent up to now is 310.5 secs Computing kpt #: 88 total cpu time spent up to now is 313.2 secs Computing kpt #: 89 total cpu time spent up to now is 315.8 secs Computing kpt #: 90 total cpu time spent up to now is 318.5 secs Computing kpt #: 91 total cpu time spent up to now is 321.2 secs Computing kpt #: 92 total cpu time spent up to now is 323.9 secs Computing kpt #: 93 total cpu time spent up to now is 326.6 secs Computing kpt #: 94 total cpu time spent up to now is 329.3 secs Computing kpt #: 95 total cpu time spent up to now is 332.0 secs Computing kpt #: 96 total cpu time spent up to now is 334.8 secs Computing kpt #: 97 total cpu time spent up to now is 337.6 secs Computing kpt #: 98 total cpu time spent up to now is 340.3 secs Computing kpt #: 99 total cpu time spent up to now is 343.0 secs Computing kpt #: 100 total cpu time spent up to now is 345.6 secs Computing kpt #: 101 total cpu time spent up to now is 348.7 secs Computing kpt #: 102 total cpu time spent up to now is 351.3 secs Computing kpt #: 103 total cpu time spent up to now is 354.1 secs Computing kpt #: 104 total cpu time spent up to now is 356.7 secs Computing kpt #: 105 total cpu time spent up to now is 359.5 secs Computing kpt #: 106 total cpu time spent up to now is 362.3 secs Computing kpt #: 107 total cpu time spent up to now is 365.0 secs Computing kpt #: 108 total cpu time spent up to now is 367.7 secs Computing kpt #: 109 total cpu time spent up to now is 370.4 secs Computing kpt #: 110 total cpu time spent up to now is 373.2 secs Computing kpt #: 111 total cpu time spent up to now is 375.8 secs Computing kpt #: 112 total cpu time spent up to now is 378.5 secs Computing kpt #: 113 total cpu time spent up to now is 381.3 secs Computing kpt #: 114 total cpu time spent up to now is 383.9 secs Computing kpt #: 115 total cpu time spent up to now is 386.5 secs Computing kpt #: 116 total cpu time spent up to now is 389.1 secs Computing kpt #: 117 total cpu time spent up to now is 391.8 secs Computing kpt #: 118 total cpu time spent up to now is 394.4 secs Computing kpt #: 119 total cpu time spent up to now is 397.1 secs Computing kpt #: 120 total cpu time spent up to now is 399.6 secs Computing kpt #: 121 total cpu time spent up to now is 402.4 secs Computing kpt #: 122 total cpu time spent up to now is 405.0 secs Computing kpt #: 123 total cpu time spent up to now is 407.7 secs Computing kpt #: 124 total cpu time spent up to now is 410.2 secs Computing kpt #: 125 total cpu time spent up to now is 412.8 secs Computing kpt #: 126 total cpu time spent up to now is 415.5 secs Computing kpt #: 127 total cpu time spent up to now is 418.3 secs Computing kpt #: 128 total cpu time spent up to now is 420.9 secs Computing kpt #: 129 total cpu time spent up to now is 423.5 secs Computing kpt #: 130 total cpu time spent up to now is 426.3 secs Computing kpt #: 131 total cpu time spent up to now is 429.1 secs Computing kpt #: 132 total cpu time spent up to now is 431.8 secs Computing kpt #: 133 total cpu time spent up to now is 434.6 secs Computing kpt #: 134 total cpu time spent up to now is 437.4 secs Computing kpt #: 135 total cpu time spent up to now is 440.2 secs Computing kpt #: 136 total cpu time spent up to now is 443.1 secs Computing kpt #: 137 total cpu time spent up to now is 445.9 secs Computing kpt #: 138 total cpu time spent up to now is 448.7 secs Computing kpt #: 139 total cpu time spent up to now is 451.6 secs Computing kpt #: 140 total cpu time spent up to now is 454.5 secs Computing kpt #: 141 total cpu time spent up to now is 457.3 secs Computing kpt #: 142 total cpu time spent up to now is 460.1 secs Computing kpt #: 143 total cpu time spent up to now is 463.0 secs Computing kpt #: 144 total cpu time spent up to now is 465.9 secs Computing kpt #: 145 total cpu time spent up to now is 468.8 secs Computing kpt #: 146 total cpu time spent up to now is 471.6 secs Computing kpt #: 147 total cpu time spent up to now is 474.6 secs Computing kpt #: 148 total cpu time spent up to now is 477.4 secs Computing kpt #: 149 total cpu time spent up to now is 480.3 secs Computing kpt #: 150 total cpu time spent up to now is 483.2 secs Computing kpt #: 151 total cpu time spent up to now is 486.1 secs Computing kpt #: 152 total cpu time spent up to now is 489.0 secs Computing kpt #: 153 total cpu time spent up to now is 491.9 secs Computing kpt #: 154 total cpu time spent up to now is 494.7 secs Computing kpt #: 155 total cpu time spent up to now is 497.5 secs Computing kpt #: 156 total cpu time spent up to now is 500.3 secs Computing kpt #: 157 total cpu time spent up to now is 503.1 secs Computing kpt #: 158 total cpu time spent up to now is 505.9 secs Computing kpt #: 159 total cpu time spent up to now is 508.7 secs Computing kpt #: 160 total cpu time spent up to now is 511.6 secs Computing kpt #: 161 total cpu time spent up to now is 514.7 secs Computing kpt #: 162 total cpu time spent up to now is 518.0 secs Computing kpt #: 163 total cpu time spent up to now is 521.3 secs Computing kpt #: 164 total cpu time spent up to now is 524.6 secs Computing kpt #: 165 total cpu time spent up to now is 527.6 secs Computing kpt #: 166 total cpu time spent up to now is 530.3 secs Computing kpt #: 167 total cpu time spent up to now is 533.1 secs Computing kpt #: 168 total cpu time spent up to now is 535.8 secs Computing kpt #: 169 total cpu time spent up to now is 538.5 secs Computing kpt #: 170 total cpu time spent up to now is 541.2 secs Computing kpt #: 171 total cpu time spent up to now is 543.8 secs Computing kpt #: 172 total cpu time spent up to now is 546.5 secs Computing kpt #: 173 total cpu time spent up to now is 549.2 secs Computing kpt #: 174 total cpu time spent up to now is 551.9 secs Computing kpt #: 175 total cpu time spent up to now is 554.6 secs Computing kpt #: 176 total cpu time spent up to now is 557.3 secs Computing kpt #: 177 total cpu time spent up to now is 560.2 secs Computing kpt #: 178 total cpu time spent up to now is 562.9 secs Computing kpt #: 179 total cpu time spent up to now is 565.5 secs Computing kpt #: 180 total cpu time spent up to now is 568.2 secs Computing kpt #: 181 total cpu time spent up to now is 571.0 secs Computing kpt #: 182 total cpu time spent up to now is 573.7 secs Computing kpt #: 183 total cpu time spent up to now is 576.6 secs Computing kpt #: 184 total cpu time spent up to now is 579.4 secs Computing kpt #: 185 total cpu time spent up to now is 582.9 secs Computing kpt #: 186 total cpu time spent up to now is 587.7 secs Computing kpt #: 187 total cpu time spent up to now is 592.0 secs Computing kpt #: 188 total cpu time spent up to now is 595.8 secs Computing kpt #: 189 total cpu time spent up to now is 599.5 secs Computing kpt #: 190 total cpu time spent up to now is 603.2 secs Computing kpt #: 191 total cpu time spent up to now is 606.8 secs Computing kpt #: 192 total cpu time spent up to now is 611.1 secs Computing kpt #: 193 total cpu time spent up to now is 615.6 secs Computing kpt #: 194 total cpu time spent up to now is 619.5 secs Computing kpt #: 195 total cpu time spent up to now is 623.1 secs Computing kpt #: 196 total cpu time spent up to now is 626.7 secs Computing kpt #: 197 total cpu time spent up to now is 630.4 secs Computing kpt #: 198 total cpu time spent up to now is 634.0 secs Computing kpt #: 199 total cpu time spent up to now is 637.7 secs Computing kpt #: 200 total cpu time spent up to now is 641.1 secs Computing kpt #: 201 total cpu time spent up to now is 644.7 secs Computing kpt #: 202 total cpu time spent up to now is 648.3 secs Computing kpt #: 203 total cpu time spent up to now is 651.9 secs Computing kpt #: 204 total cpu time spent up to now is 655.6 secs Computing kpt #: 205 total cpu time spent up to now is 659.4 secs Computing kpt #: 206 total cpu time spent up to now is 663.2 secs Computing kpt #: 207 total cpu time spent up to now is 667.1 secs Computing kpt #: 208 total cpu time spent up to now is 671.0 secs Computing kpt #: 209 total cpu time spent up to now is 675.0 secs Computing kpt #: 210 total cpu time spent up to now is 678.9 secs Computing kpt #: 211 total cpu time spent up to now is 683.6 secs Computing kpt #: 212 total cpu time spent up to now is 687.5 secs Computing kpt #: 213 total cpu time spent up to now is 692.1 secs Computing kpt #: 214 total cpu time spent up to now is 696.6 secs Computing kpt #: 215 total cpu time spent up to now is 702.3 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 708.4 secs Computing kpt #: 217 total cpu time spent up to now is 714.1 secs Computing kpt #: 218 total cpu time spent up to now is 718.5 secs Computing kpt #: 219 total cpu time spent up to now is 722.8 secs Computing kpt #: 220 total cpu time spent up to now is 727.2 secs Computing kpt #: 221 total cpu time spent up to now is 731.0 secs Computing kpt #: 222 total cpu time spent up to now is 735.2 secs Computing kpt #: 223 total cpu time spent up to now is 739.6 secs Computing kpt #: 224 total cpu time spent up to now is 743.9 secs Computing kpt #: 225 total cpu time spent up to now is 746.8 secs Computing kpt #: 226 total cpu time spent up to now is 749.9 secs Computing kpt #: 227 total cpu time spent up to now is 752.6 secs Computing kpt #: 228 total cpu time spent up to now is 755.5 secs Computing kpt #: 229 total cpu time spent up to now is 758.3 secs Computing kpt #: 230 total cpu time spent up to now is 761.1 secs Computing kpt #: 231 total cpu time spent up to now is 763.8 secs Computing kpt #: 232 total cpu time spent up to now is 766.5 secs Computing kpt #: 233 total cpu time spent up to now is 769.2 secs Computing kpt #: 234 total cpu time spent up to now is 771.9 secs Computing kpt #: 235 total cpu time spent up to now is 774.7 secs Computing kpt #: 236 total cpu time spent up to now is 777.4 secs Computing kpt #: 237 total cpu time spent up to now is 780.1 secs Computing kpt #: 238 total cpu time spent up to now is 782.7 secs Computing kpt #: 239 total cpu time spent up to now is 785.4 secs Computing kpt #: 240 total cpu time spent up to now is 788.0 secs Computing kpt #: 241 total cpu time spent up to now is 790.8 secs Computing kpt #: 242 total cpu time spent up to now is 793.6 secs Computing kpt #: 243 total cpu time spent up to now is 796.3 secs Computing kpt #: 244 total cpu time spent up to now is 799.2 secs Computing kpt #: 245 total cpu time spent up to now is 802.2 secs Computing kpt #: 246 total cpu time spent up to now is 805.6 secs Computing kpt #: 247 total cpu time spent up to now is 809.8 secs Computing kpt #: 248 total cpu time spent up to now is 813.3 secs Computing kpt #: 249 total cpu time spent up to now is 816.7 secs Computing kpt #: 250 total cpu time spent up to now is 820.0 secs Computing kpt #: 251 total cpu time spent up to now is 823.1 secs Computing kpt #: 252 total cpu time spent up to now is 826.1 secs Computing kpt #: 253 total cpu time spent up to now is 829.2 secs Computing kpt #: 254 total cpu time spent up to now is 832.2 secs Computing kpt #: 255 total cpu time spent up to now is 835.3 secs Computing kpt #: 256 total cpu time spent up to now is 838.3 secs Computing kpt #: 257 total cpu time spent up to now is 841.3 secs Computing kpt #: 258 total cpu time spent up to now is 844.2 secs Computing kpt #: 259 total cpu time spent up to now is 847.0 secs Computing kpt #: 260 total cpu time spent up to now is 849.8 secs Computing kpt #: 261 total cpu time spent up to now is 852.7 secs Computing kpt #: 262 total cpu time spent up to now is 855.6 secs Computing kpt #: 263 total cpu time spent up to now is 858.5 secs Computing kpt #: 264 total cpu time spent up to now is 861.4 secs Computing kpt #: 265 total cpu time spent up to now is 864.2 secs Computing kpt #: 266 total cpu time spent up to now is 867.1 secs Computing kpt #: 267 total cpu time spent up to now is 870.0 secs Computing kpt #: 268 total cpu time spent up to now is 872.8 secs Computing kpt #: 269 total cpu time spent up to now is 875.7 secs Computing kpt #: 270 total cpu time spent up to now is 878.6 secs Computing kpt #: 271 total cpu time spent up to now is 881.4 secs Computing kpt #: 272 total cpu time spent up to now is 884.3 secs Computing kpt #: 273 total cpu time spent up to now is 887.2 secs Computing kpt #: 274 total cpu time spent up to now is 890.0 secs Computing kpt #: 275 total cpu time spent up to now is 892.8 secs Computing kpt #: 276 total cpu time spent up to now is 895.7 secs Computing kpt #: 277 total cpu time spent up to now is 898.5 secs Computing kpt #: 278 total cpu time spent up to now is 901.3 secs Computing kpt #: 279 total cpu time spent up to now is 904.2 secs Computing kpt #: 280 total cpu time spent up to now is 907.2 secs Computing kpt #: 281 total cpu time spent up to now is 910.0 secs Computing kpt #: 282 total cpu time spent up to now is 912.9 secs Computing kpt #: 283 total cpu time spent up to now is 915.7 secs Computing kpt #: 284 total cpu time spent up to now is 918.8 secs Computing kpt #: 285 total cpu time spent up to now is 922.3 secs Computing kpt #: 286 total cpu time spent up to now is 925.9 secs Computing kpt #: 287 total cpu time spent up to now is 929.6 secs Computing kpt #: 288 total cpu time spent up to now is 933.1 secs Computing kpt #: 289 total cpu time spent up to now is 936.9 secs Computing kpt #: 290 total cpu time spent up to now is 940.6 secs Computing kpt #: 291 total cpu time spent up to now is 944.4 secs Computing kpt #: 292 total cpu time spent up to now is 948.3 secs Computing kpt #: 293 total cpu time spent up to now is 953.8 secs Computing kpt #: 294 total cpu time spent up to now is 957.3 secs Computing kpt #: 295 total cpu time spent up to now is 960.7 secs Computing kpt #: 296 total cpu time spent up to now is 964.3 secs Computing kpt #: 297 total cpu time spent up to now is 968.0 secs Computing kpt #: 298 total cpu time spent up to now is 971.6 secs Computing kpt #: 299 total cpu time spent up to now is 975.4 secs Computing kpt #: 300 total cpu time spent up to now is 979.6 secs Computing kpt #: 301 total cpu time spent up to now is 982.7 secs Computing kpt #: 302 total cpu time spent up to now is 985.5 secs Computing kpt #: 303 total cpu time spent up to now is 988.3 secs Computing kpt #: 304 total cpu time spent up to now is 990.9 secs Computing kpt #: 305 total cpu time spent up to now is 993.6 secs Computing kpt #: 306 total cpu time spent up to now is 996.4 secs Computing kpt #: 307 total cpu time spent up to now is 999.1 secs Computing kpt #: 308 total cpu time spent up to now is 1001.8 secs Computing kpt #: 309 total cpu time spent up to now is 1004.5 secs Computing kpt #: 310 total cpu time spent up to now is 1007.3 secs Computing kpt #: 311 total cpu time spent up to now is 1010.0 secs Computing kpt #: 312 total cpu time spent up to now is 1012.6 secs Computing kpt #: 313 total cpu time spent up to now is 1015.2 secs Computing kpt #: 314 total cpu time spent up to now is 1017.8 secs Computing kpt #: 315 total cpu time spent up to now is 1020.5 secs Computing kpt #: 316 total cpu time spent up to now is 1023.2 secs Computing kpt #: 317 total cpu time spent up to now is 1025.9 secs Computing kpt #: 318 total cpu time spent up to now is 1028.7 secs Computing kpt #: 319 total cpu time spent up to now is 1031.4 secs Computing kpt #: 320 total cpu time spent up to now is 1034.3 secs Computing kpt #: 321 total cpu time spent up to now is 1037.3 secs Computing kpt #: 322 total cpu time spent up to now is 1040.6 secs Computing kpt #: 323 total cpu time spent up to now is 1044.7 secs Computing kpt #: 324 total cpu time spent up to now is 1048.1 secs Computing kpt #: 325 total cpu time spent up to now is 1051.4 secs Computing kpt #: 326 total cpu time spent up to now is 1054.5 secs Computing kpt #: 327 total cpu time spent up to now is 1057.6 secs Computing kpt #: 328 total cpu time spent up to now is 1060.6 secs Computing kpt #: 329 total cpu time spent up to now is 1063.7 secs Computing kpt #: 330 total cpu time spent up to now is 1066.8 secs Computing kpt #: 331 total cpu time spent up to now is 1069.8 secs Computing kpt #: 332 total cpu time spent up to now is 1072.8 secs Computing kpt #: 333 total cpu time spent up to now is 1075.6 secs Computing kpt #: 334 total cpu time spent up to now is 1078.5 secs Computing kpt #: 335 total cpu time spent up to now is 1081.4 secs Computing kpt #: 336 total cpu time spent up to now is 1084.3 secs Computing kpt #: 337 total cpu time spent up to now is 1087.1 secs Computing kpt #: 338 total cpu time spent up to now is 1089.9 secs Computing kpt #: 339 total cpu time spent up to now is 1092.9 secs Computing kpt #: 340 total cpu time spent up to now is 1095.7 secs ethr = 2.50E-11, avg # of iterations = 35.3 total cpu time spent up to now is 1095.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14643 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 1.9887 1.9887 2.5794 2.5794 2.6245 2.6245 k = 0.0090 0.0091-0.0000 ( 14639 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8850 -22.8579 -22.8578 -22.8561 -22.8561 -21.8583 -21.8581 -21.8572 -21.8571 -21.8380 -21.8377 -21.8286 -21.8283 -21.8194 -21.8192 -21.8118 -21.8117 -14.5214 -14.5213 -13.1709 -13.1706 -7.3447 -7.3444 -5.4394 -5.4390 -5.0980 -5.0971 -4.3678 -4.3573 -4.2351 -4.2235 -3.1730 -3.1614 -3.0481 -3.0341 -1.2585 -1.2583 -0.1837 -0.1830 1.9895 1.9897 2.5795 2.5815 2.6242 2.6291 k = 0.0180 0.0182-0.0000 ( 14643 PWs) bands (ev): -22.8871 -22.8871 -22.8852 -22.8849 -22.8580 -22.8577 -22.8561 -22.8561 -21.8584 -21.8580 -21.8573 -21.8570 -21.8381 -21.8376 -21.8287 -21.8282 -21.8196 -21.8190 -21.8119 -21.8117 -14.5186 -14.5184 -13.1701 -13.1696 -7.3554 -7.3548 -5.4561 -5.4554 -5.1000 -5.0982 -4.3640 -4.3419 -4.2394 -4.2152 -3.1683 -3.1458 -3.0428 -3.0156 -1.2623 -1.2620 -0.1793 -0.1780 1.9921 1.9925 2.5819 2.5858 2.6281 2.6382 k = 0.0269 0.0273-0.0000 ( 14639 PWs) bands (ev): -22.8871 -22.8871 -22.8853 -22.8847 -22.8581 -22.8576 -22.8561 -22.8560 -21.8585 -21.8578 -21.8573 -21.8569 -21.8382 -21.8374 -21.8287 -21.8281 -21.8197 -21.8189 -21.8120 -21.8117 -14.5140 -14.5137 -13.1688 -13.1681 -7.3727 -7.3719 -5.4840 -5.4831 -5.1016 -5.0991 -4.3589 -4.3260 -4.2369 -4.2009 -3.1633 -3.1354 -3.0191 -2.9841 -1.2686 -1.2681 -0.1717 -0.1697 1.9964 1.9969 2.5865 2.5919 2.6357 2.6516 k = 0.0359 0.0364-0.0000 ( 14655 PWs) bands (ev): -22.8871 -22.8870 -22.8854 -22.8846 -22.8582 -22.8575 -22.8561 -22.8560 -21.8585 -21.8576 -21.8573 -21.8568 -21.8383 -21.8373 -21.8288 -21.8279 -21.8198 -21.8188 -21.8121 -21.8116 -14.5076 -14.5071 -13.1669 -13.1660 -7.3962 -7.3951 -5.5228 -5.5218 -5.1015 -5.0984 -4.3576 -4.3215 -4.2162 -4.1759 -3.1628 -3.1370 -2.9716 -2.9363 -1.2773 -1.2766 -0.1609 -0.1583 2.0022 2.0029 2.5930 2.5993 2.6468 2.6690 k = 0.0449 0.0455-0.0000 ( 14635 PWs) bands (ev): -22.8871 -22.8870 -22.8854 -22.8845 -22.8582 -22.8574 -22.8561 -22.8559 -21.8586 -21.8574 -21.8573 -21.8567 -21.8384 -21.8371 -21.8289 -21.8278 -21.8199 -21.8186 -21.8122 -21.8116 -14.4992 -14.4987 -13.1645 -13.1633 -7.4252 -7.4238 -5.5716 -5.5707 -5.0987 -5.0952 -4.3635 -4.3321 -4.1740 -4.1374 -3.1684 -3.1477 -2.9049 -2.8726 -1.2883 -1.2875 -0.1468 -0.1435 2.0093 2.0102 2.6007 2.6072 2.6608 2.6897 k = 0.0539 0.0545-0.0000 ( 14633 PWs) bands (ev): -22.8870 -22.8870 -22.8854 -22.8844 -22.8583 -22.8572 -22.8561 -22.8559 -21.8586 -21.8573 -21.8572 -21.8566 -21.8385 -21.8369 -21.8289 -21.8276 -21.8199 -21.8184 -21.8123 -21.8117 -14.4891 -14.4884 -13.1616 -13.1602 -7.4589 -7.4573 -5.6292 -5.6284 -5.0928 -5.0890 -4.3772 -4.3522 -4.1169 -4.0857 -3.1797 -3.1643 -2.8248 -2.7954 -1.3016 -1.3006 -0.1293 -0.1254 2.0173 2.0181 2.6083 2.6132 2.6769 2.7125 k = 0.0629 0.0636-0.0000 ( 14633 PWs) bands (ev): -22.8870 -22.8869 -22.8855 -22.8842 -22.8583 -22.8571 -22.8561 -22.8558 -21.8586 -21.8573 -21.8570 -21.8564 -21.8386 -21.8367 -21.8290 -21.8274 -21.8200 -21.8183 -21.8125 -21.8117 -14.4770 -14.4763 -13.1581 -13.1565 -7.4966 -7.4947 -5.6941 -5.6934 -5.0837 -5.0796 -4.3974 -4.3781 -4.0491 -4.0225 -3.1957 -3.1850 -2.7345 -2.7076 -1.3171 -1.3159 -0.1084 -0.1038 2.0253 2.0260 2.6115 2.6132 2.6941 2.7355 k = 0.0719 0.0727-0.0000 ( 14645 PWs) bands (ev): -22.8870 -22.8869 -22.8855 -22.8841 -22.8583 -22.8570 -22.8560 -22.8557 -21.8586 -21.8573 -21.8568 -21.8563 -21.8386 -21.8365 -21.8290 -21.8273 -21.8201 -21.8181 -21.8126 -21.8117 -14.4632 -14.4624 -13.1542 -13.1523 -7.5373 -7.5352 -5.7646 -5.7640 -5.0715 -5.0672 -4.4231 -4.4084 -3.9728 -3.9500 -3.2158 -3.2091 -2.6368 -2.6118 -1.3345 -1.3331 -0.0839 -0.0787 2.0322 2.0323 2.5870 2.6090 2.7107 2.7488 k = 0.0808 0.0818-0.0000 ( 14636 PWs) bands (ev): -22.8870 -22.8868 -22.8855 -22.8840 -22.8584 -22.8569 -22.8560 -22.8556 -21.8586 -21.8573 -21.8565 -21.8561 -21.8387 -21.8363 -21.8291 -21.8271 -21.8201 -21.8179 -21.8128 -21.8118 -14.4476 -14.4467 -13.1498 -13.1478 -7.5803 -7.5780 -5.8392 -5.8388 -5.0564 -5.0519 -4.4533 -4.4424 -3.8895 -3.8696 -3.2393 -3.2362 -2.5338 -2.5102 -1.3537 -1.3521 -0.0559 -0.0500 2.0343 2.0356 2.5285 2.5816 2.7234 2.7476 k = 0.0898 0.0909-0.0000 ( 14640 PWs) bands (ev): -22.8870 -22.8868 -22.8855 -22.8838 -22.8584 -22.8568 -22.8559 -22.8555 -21.8586 -21.8573 -21.8563 -21.8560 -21.8387 -21.8361 -21.8291 -21.8269 -21.8202 -21.8177 -21.8130 -21.8118 -14.4302 -14.4292 -13.1451 -13.1428 -7.6249 -7.6224 -5.9168 -5.9164 -5.0387 -5.0338 -4.4873 -4.4796 -3.8005 -3.7830 -3.2660 -3.2659 -2.4274 -2.4048 -1.3745 -1.3726 -0.0242 -0.0177 2.0266 2.0313 2.4527 2.5207 2.7276 2.7581 k = 0.0988 0.1000-0.0000 ( 14634 PWs) bands (ev): -22.8870 -22.8867 -22.8854 -22.8837 -22.8584 -22.8566 -22.8559 -22.8554 -21.8586 -21.8573 -21.8560 -21.8558 -21.8388 -21.8359 -21.8291 -21.8267 -21.8202 -21.8175 -21.8131 -21.8119 -14.4111 -14.4100 -13.1399 -13.1374 -7.6703 -7.6676 -5.9962 -5.9959 -5.0185 -5.0133 -4.5248 -4.5197 -3.7069 -3.6914 -3.2984 -3.2952 -2.3195 -2.2976 -1.3965 -1.3943 0.0111 0.0183 2.0004 2.0115 2.3833 2.4451 2.7239 2.7769 k = 0.1078 0.1091-0.0000 ( 14640 PWs) bands (ev): -22.8870 -22.8867 -22.8854 -22.8835 -22.8584 -22.8565 -22.8558 -22.8553 -21.8586 -21.8573 -21.8557 -21.8556 -21.8388 -21.8357 -21.8291 -21.8265 -21.8202 -21.8173 -21.8133 -21.8119 -14.3902 -14.3890 -13.1344 -13.1317 -7.7159 -7.7131 -6.0766 -6.0763 -4.9960 -4.9905 -4.5651 -4.5623 -3.6100 -3.5959 -3.3330 -3.3270 -2.2120 -2.1906 -1.4194 -1.4168 0.0501 0.0579 1.9465 1.9660 2.3370 2.3828 2.7115 2.7966 k = 0.1168 0.1182-0.0000 ( 14634 PWs) bands (ev): -22.8870 -22.8866 -22.8854 -22.8834 -22.8584 -22.8564 -22.8557 -22.8552 -21.8586 -21.8572 -21.8555 -21.8554 -21.8389 -21.8354 -21.8292 -21.8262 -21.8202 -21.8171 -21.8135 -21.8120 -14.3676 -14.3663 -13.1287 -13.1258 -7.7611 -7.7582 -6.1573 -6.1570 -4.9716 -4.9655 -4.6079 -4.6070 -3.5110 -3.4979 -3.3698 -3.3606 -2.1068 -2.0859 -1.4427 -1.4397 0.0927 0.1011 1.8654 1.8904 2.3176 2.3477 2.6847 2.7925 k = 0.1258 0.1273-0.0000 ( 14636 PWs) bands (ev): -22.8870 -22.8866 -22.8853 -22.8832 -22.8584 -22.8563 -22.8556 -22.8551 -21.8586 -21.8572 -21.8553 -21.8551 -21.8389 -21.8352 -21.8292 -21.8260 -21.8202 -21.8169 -21.8138 -21.8121 -14.3434 -14.3420 -13.1227 -13.1196 -7.8055 -7.8024 -6.2377 -6.2373 -4.9454 -4.9385 -4.6534 -4.6527 -3.4177 -3.4096 -3.3973 -3.3893 -2.0063 -1.9857 -1.4660 -1.4624 0.1388 0.1478 1.7679 1.7930 2.3176 2.3366 2.6382 2.7492 k = 0.1347 0.1364-0.0000 ( 14616 PWs) bands (ev): -22.8870 -22.8865 -22.8852 -22.8831 -22.8584 -22.8562 -22.8556 -22.8549 -21.8586 -21.8572 -21.8551 -21.8548 -21.8389 -21.8350 -21.8292 -21.8258 -21.8202 -21.8167 -21.8140 -21.8122 -14.3176 -14.3161 -13.1165 -13.1132 -7.8484 -7.8452 -6.3173 -6.3168 -4.9179 -4.9099 -4.7008 -4.6992 -3.4490 -3.4373 -3.3068 -3.2985 -1.9130 -1.8926 -1.4886 -1.4844 0.1883 0.1978 1.6651 1.6868 2.3284 2.3394 2.5696 2.6715 k = 0.1437 0.1455-0.0000 ( 14622 PWs) bands (ev): -22.8870 -22.8865 -22.8851 -22.8830 -22.8584 -22.8560 -22.8555 -22.8548 -21.8586 -21.8572 -21.8550 -21.8546 -21.8389 -21.8348 -21.8292 -21.8256 -21.8201 -21.8165 -21.8142 -21.8122 -14.2901 -14.2885 -13.1101 -13.1067 -7.8896 -7.8863 -6.3956 -6.3950 -4.8907 -4.8805 -4.7477 -4.7462 -3.4909 -3.4761 -3.2078 -3.2000 -1.8298 -1.8095 -1.5100 -1.5048 0.2410 0.2508 1.5653 1.5820 2.3427 2.3429 2.4854 2.5661 k = 0.1527 0.1546-0.0000 ( 14638 PWs) bands (ev): -22.8870 -22.8864 -22.8850 -22.8828 -22.8584 -22.8559 -22.8554 -22.8547 -21.8586 -21.8572 -21.8548 -21.8543 -21.8389 -21.8345 -21.8291 -21.8254 -21.8201 -21.8163 -21.8144 -21.8123 -14.2611 -14.2595 -13.1037 -13.1001 -7.9286 -7.9252 -6.4724 -6.4717 -4.8698 -4.8544 -4.7896 -4.7878 -3.5341 -3.5167 -3.1111 -3.1041 -1.7597 -1.7395 -1.5293 -1.5230 0.2966 0.3066 1.4747 1.4861 2.3047 2.3406 2.4276 2.4579 k = 0.1617 0.1636-0.0000 ( 14644 PWs) bands (ev): -22.8870 -22.8863 -22.8850 -22.8827 -22.8583 -22.8558 -22.8553 -22.8546 -21.8586 -21.8573 -21.8547 -21.8540 -21.8388 -21.8343 -21.8291 -21.8251 -21.8200 -21.8161 -21.8146 -21.8124 -14.2306 -14.2289 -13.0972 -13.0935 -7.9651 -7.9616 -6.5473 -6.5464 -4.8812 -4.8635 -4.7972 -4.7950 -3.5783 -3.5584 -3.0185 -3.0124 -1.7060 -1.6859 -1.5458 -1.5381 0.3546 0.3645 1.3983 1.4047 2.1929 2.2474 2.4288 2.4310 k = 0.1707 0.1727-0.0000 ( 14652 PWs) bands (ev): -22.8870 -22.8863 -22.8849 -22.8826 -22.8583 -22.8557 -22.8552 -22.8544 -21.8586 -21.8573 -21.8545 -21.8537 -21.8388 -21.8341 -21.8291 -21.8249 -21.8199 -21.8159 -21.8149 -21.8125 -14.1987 -14.1969 -13.0908 -13.0869 -7.9988 -7.9952 -6.6201 -6.6190 -4.9241 -4.9089 -4.7701 -4.7679 -3.6235 -3.6011 -2.9319 -2.9266 -1.6712 -1.6515 -1.5591 -1.5499 0.4143 0.4237 1.3402 1.3421 2.0557 2.1012 2.4473 2.4525 k = 0.1796 0.1818-0.0000 ( 14652 PWs) bands (ev): -22.8871 -22.8862 -22.8848 -22.8825 -22.8583 -22.8556 -22.8551 -22.8543 -21.8586 -21.8573 -21.8544 -21.8535 -21.8387 -21.8339 -21.8291 -21.8247 -21.8197 -21.8156 -21.8151 -21.8125 -14.1654 -14.1635 -13.0844 -13.0803 -8.0295 -8.0258 -6.6905 -6.6893 -4.9747 -4.9598 -4.7370 -4.7326 -3.6692 -3.6443 -2.8529 -2.8486 -1.6565 -1.6384 -1.5690 -1.5587 0.4747 0.4828 1.3015 1.3032 1.9117 1.9483 2.4733 2.4783 k = 0.1886 0.1909-0.0000 ( 14664 PWs) bands (ev): -22.8871 -22.8862 -22.8847 -22.8824 -22.8582 -22.8555 -22.8550 -22.8541 -21.8586 -21.8574 -21.8543 -21.8533 -21.8386 -21.8337 -21.8290 -21.8245 -21.8196 -21.8154 -21.8153 -21.8126 -14.1308 -14.1288 -13.0781 -13.0740 -8.0568 -8.0531 -6.7585 -6.7571 -5.0272 -5.0119 -4.7012 -4.6954 -3.7154 -3.6878 -2.7836 -2.7800 -1.6635 -1.6490 -1.5737 -1.5641 0.5339 0.5395 1.2843 1.2888 1.7701 1.8005 2.5012 2.5057 k = 0.1976 0.2000-0.0000 ( 14652 PWs) bands (ev): -22.8871 -22.8862 -22.8846 -22.8823 -22.8582 -22.8554 -22.8549 -22.8540 -21.8586 -21.8575 -21.8543 -21.8531 -21.8385 -21.8335 -21.8290 -21.8243 -21.8194 -21.8155 -21.8152 -21.8126 -14.0950 -14.0929 -13.0720 -13.0678 -8.0807 -8.0770 -6.8237 -6.8221 -5.0806 -5.0645 -4.6642 -4.6571 -3.7616 -3.7313 -2.7253 -2.7225 -1.6947 -1.6856 -1.5713 -1.5634 0.5882 0.5895 1.2894 1.2960 1.6399 1.6679 2.5293 2.5332 k = 0.2066 0.2091-0.0000 ( 14662 PWs) bands (ev): -22.8872 -22.8861 -22.8845 -22.8822 -22.8581 -22.8554 -22.8548 -22.8539 -21.8587 -21.8576 -21.8542 -21.8529 -21.8384 -21.8333 -21.8289 -21.8241 -21.8192 -21.8157 -21.8150 -21.8126 -14.0580 -14.0558 -13.0662 -13.0618 -8.1009 -8.0972 -6.8860 -6.8842 -5.1340 -5.1171 -4.6267 -4.6183 -3.8076 -3.7745 -2.6792 -2.6770 -1.7502 -1.7461 -1.5628 -1.5562 0.6258 0.6313 1.3124 1.3209 1.5343 1.5634 2.5568 2.5603 k = 0.2156 0.2182-0.0000 ( 14660 PWs) bands (ev): -22.8872 -22.8861 -22.8844 -22.8821 -22.8581 -22.8553 -22.8547 -22.8537 -21.8587 -21.8577 -21.8542 -21.8528 -21.8383 -21.8332 -21.8289 -21.8239 -21.8190 -21.8158 -21.8149 -21.8126 -14.0198 -14.0176 -13.0605 -13.0561 -8.1173 -8.1136 -6.9454 -6.9434 -5.1874 -5.1696 -4.5893 -4.5797 -3.8531 -3.8170 -2.6457 -2.6439 -1.8274 -1.8269 -1.5507 -1.5446 0.6386 0.6535 1.3404 1.3535 1.4766 1.5074 2.5834 2.5865 k = 0.2246 0.2273-0.0000 ( 14670 PWs) bands (ev): -22.8872 -22.8861 -22.8843 -22.8820 -22.8580 -22.8552 -22.8546 -22.8536 -21.8588 -21.8579 -21.8542 -21.8527 -21.8382 -21.8330 -21.8288 -21.8237 -21.8187 -21.8160 -21.8147 -21.8126 -13.9807 -13.9784 -13.0552 -13.0507 -8.1297 -8.1262 -7.0016 -6.9994 -5.2402 -5.2215 -4.5527 -4.5417 -3.8976 -3.8583 -2.6244 -2.6229 -1.9260 -1.9213 -1.5379 -1.5321 0.6205 0.6454 1.3568 1.3824 1.4921 1.5183 2.6089 2.6119 k = 0.2335 0.2364-0.0000 ( 14654 PWs) bands (ev): -22.8873 -22.8861 -22.8842 -22.8820 -22.8579 -22.8552 -22.8544 -22.8535 -21.8588 -21.8580 -21.8542 -21.8526 -21.8380 -21.8329 -21.8287 -21.8235 -21.8185 -21.8161 -21.8146 -21.8125 -13.9407 -13.9384 -13.0502 -13.0457 -8.1381 -8.1347 -7.0546 -7.0521 -5.2925 -5.2729 -4.5177 -4.5055 -3.9404 -3.8979 -2.6143 -2.6129 -2.0384 -2.0297 -1.5283 -1.5229 0.5748 0.6075 1.3854 1.4216 1.5560 1.5784 2.6337 2.6368 k = 0.2425 0.2455-0.0000 ( 14644 PWs) bands (ev): -22.8873 -22.8860 -22.8841 -22.8819 -22.8579 -22.8551 -22.8543 -22.8533 -21.8589 -21.8582 -21.8543 -21.8526 -21.8378 -21.8328 -21.8286 -21.8233 -21.8183 -21.8162 -21.8145 -21.8124 -13.8999 -13.8975 -13.0456 -13.0410 -8.1424 -8.1391 -7.1042 -7.1015 -5.3439 -5.3234 -4.4855 -4.4721 -3.9807 -3.9351 -2.6141 -2.6125 -2.1611 -2.1486 -1.5265 -1.5218 0.5150 0.5526 1.4424 1.4845 1.6385 1.6600 2.6586 2.6621 k = 0.2515 0.2546-0.0000 ( 14664 PWs) bands (ev): -22.8873 -22.8860 -22.8840 -22.8819 -22.8578 -22.8551 -22.8542 -22.8532 -21.8589 -21.8584 -21.8544 -21.8526 -21.8376 -21.8327 -21.8285 -21.8231 -21.8181 -21.8162 -21.8145 -21.8122 -13.8583 -13.8559 -13.0414 -13.0368 -8.1426 -8.1394 -7.1503 -7.1474 -5.3943 -5.3728 -4.4574 -4.4433 -4.0172 -3.9690 -2.6223 -2.6203 -2.2908 -2.2748 -1.5373 -1.5338 0.4558 0.4961 1.5221 1.5680 1.7287 1.7504 2.6850 2.6893 k = 0.2605 0.2637-0.0000 ( 14642 PWs) bands (ev): -22.8874 -22.8860 -22.8840 -22.8819 -22.8577 -22.8550 -22.8541 -22.8531 -21.8590 -21.8586 -21.8545 -21.8526 -21.8374 -21.8326 -21.8283 -21.8230 -21.8179 -21.8162 -21.8145 -21.8121 -13.8162 -13.8137 -13.0375 -13.0330 -8.1385 -8.1356 -7.1928 -7.1897 -5.4435 -5.4211 -4.4353 -4.4216 -4.0484 -3.9987 -2.6377 -2.6348 -2.4242 -2.4052 -1.5647 -1.5630 0.4085 0.4501 1.6169 1.6658 1.8202 1.8426 2.7150 2.7205 k = 0.2695 0.2727-0.0000 ( 14634 PWs) bands (ev): -22.8874 -22.8860 -22.8839 -22.8819 -22.8577 -22.8550 -22.8540 -22.8530 -21.8591 -21.8588 -21.8546 -21.8527 -21.8372 -21.8325 -21.8282 -21.8228 -21.8178 -21.8160 -21.8145 -21.8119 -13.7737 -13.7711 -13.0341 -13.0296 -8.1303 -8.1276 -7.2316 -7.2283 -5.4914 -5.4680 -4.4209 -4.4097 -4.0724 -4.0234 -2.6604 -2.6550 -2.5569 -2.5369 -1.6120 -1.6113 0.3796 0.4214 1.7213 1.7735 1.9077 1.9309 2.7510 2.7582 k = 0.2785 0.2818-0.0000 ( 14618 PWs) bands (ev): -22.8874 -22.8860 -22.8839 -22.8819 -22.8576 -22.8550 -22.8539 -22.8529 -21.8592 -21.8591 -21.8548 -21.8528 -21.8369 -21.8324 -21.8280 -21.8227 -21.8177 -21.8158 -21.8145 -21.8117 -13.7308 -13.7282 -13.0312 -13.0266 -8.1178 -8.1155 -7.2666 -7.2631 -5.5377 -5.5134 -4.4158 -4.4101 -4.0883 -4.0430 -2.7100 -2.6826 -2.6654 -2.6640 -1.6813 -1.6778 0.3717 0.4131 1.8318 1.8876 1.9865 2.0103 2.7959 2.8054 k = 0.2874 0.2909-0.0000 ( 14614 PWs) bands (ev): -22.8875 -22.8860 -22.8838 -22.8820 -22.8575 -22.8549 -22.8538 -22.8528 -21.8593 -21.8593 -21.8550 -21.8529 -21.8367 -21.8323 -21.8278 -21.8225 -21.8176 -21.8156 -21.8145 -21.8114 -13.6877 -13.6850 -13.0286 -13.0242 -8.1013 -8.0993 -7.2977 -7.2941 -5.5824 -5.5572 -4.4232 -4.4208 -4.0975 -4.0593 -2.8259 -2.7934 -2.7071 -2.7060 -1.7694 -1.7627 0.3848 0.4254 1.9454 2.0058 2.0532 2.0770 2.8514 2.8640 k = 0.2964 0.3000-0.0000 ( 14626 PWs) bands (ev): -22.8875 -22.8861 -22.8838 -22.8820 -22.8574 -22.8549 -22.8537 -22.8527 -21.8596 -21.8594 -21.8553 -21.8531 -21.8365 -21.8322 -21.8277 -21.8224 -21.8176 -21.8153 -21.8145 -21.8112 -13.6445 -13.6418 -13.0265 -13.0221 -8.0807 -8.0791 -7.3248 -7.3210 -5.6253 -5.5990 -4.4477 -4.4352 -4.1039 -4.0756 -2.9423 -2.9099 -2.7404 -2.7396 -1.8730 -1.8632 0.4166 0.4563 2.0570 2.1086 2.1196 2.1354 2.9169 2.9340 k = 0.3054 0.3091-0.0000 ( 14620 PWs) bands (ev): -22.8875 -22.8861 -22.8838 -22.8821 -22.8573 -22.8549 -22.8536 -22.8526 -21.8599 -21.8595 -21.8555 -21.8533 -21.8362 -21.8322 -21.8274 -21.8223 -21.8176 -21.8149 -21.8146 -21.8110 -13.6014 -13.5988 -13.0248 -13.0205 -8.0562 -8.0550 -7.3478 -7.3439 -5.6662 -5.6389 -4.4811 -4.4577 -4.1134 -4.0971 -3.0456 -3.0141 -2.7778 -2.7759 -1.9882 -1.9752 0.4642 0.5030 2.1308 2.1630 2.1871 2.2498 2.9886 3.0132 k = 0.3144 0.3182-0.0000 ( 14612 PWs) bands (ev): -22.8876 -22.8861 -22.8837 -22.8821 -22.8573 -22.8549 -22.8535 -22.8525 -21.8602 -21.8597 -21.8558 -21.8535 -21.8360 -21.8321 -21.8272 -21.8222 -21.8175 -21.8146 -21.8146 -21.8108 -13.5586 -13.5559 -13.0235 -13.0193 -8.0279 -8.0272 -7.3667 -7.3627 -5.7050 -5.6766 -4.5217 -4.4870 -4.1312 -4.1290 -3.1304 -3.1015 -2.8193 -2.8165 -2.1103 -2.0946 0.5245 0.5625 2.1592 2.1870 2.2962 2.3696 3.0593 3.0967 k = 0.3234 0.3273-0.0000 ( 14618 PWs) bands (ev): -22.8876 -22.8861 -22.8837 -22.8822 -22.8572 -22.8549 -22.8534 -22.8524 -21.8604 -21.8598 -21.8561 -21.8537 -21.8357 -21.8321 -21.8270 -21.8221 -21.8175 -21.8146 -21.8142 -21.8106 -13.5162 -13.5135 -13.0226 -13.0185 -7.9959 -7.9958 -7.3813 -7.3772 -5.7414 -5.7120 -4.5687 -4.5224 -4.1751 -4.1612 -3.1932 -3.1687 -2.8666 -2.8630 -2.2347 -2.2166 0.5947 0.6322 2.1744 2.2008 2.4040 2.4864 3.1194 3.1755 k = 0.3323 0.3364-0.0000 ( 14618 PWs) bands (ev): -22.8876 -22.8862 -22.8837 -22.8823 -22.8571 -22.8549 -22.8533 -22.8523 -21.8607 -21.8599 -21.8565 -21.8540 -21.8355 -21.8320 -21.8267 -21.8220 -21.8174 -21.8147 -21.8138 -21.8103 -13.4744 -13.4717 -13.0220 -13.0181 -7.9610 -7.9606 -7.3916 -7.3873 -5.7753 -5.7449 -4.6221 -4.5643 -4.2354 -4.2044 -3.2330 -3.2143 -2.9218 -2.9176 -2.3560 -2.3363 0.6725 0.7096 2.1818 2.2073 2.5055 2.5977 3.1621 3.2321 k = 0.3413 0.3455-0.0000 ( 14610 PWs) bands (ev): -22.8876 -22.8862 -22.8837 -22.8824 -22.8570 -22.8549 -22.8532 -22.8523 -21.8610 -21.8600 -21.8568 -21.8543 -21.8352 -21.8320 -21.8264 -21.8219 -21.8174 -21.8147 -21.8135 -21.8101 -13.4334 -13.4307 -13.0218 -13.0180 -7.9231 -7.9220 -7.3974 -7.3931 -5.8066 -5.7751 -4.6831 -4.6148 -4.3057 -4.2584 -3.2518 -3.2398 -2.9878 -2.9831 -2.4687 -2.4482 0.7558 0.7928 2.1838 2.2087 2.5981 2.7008 3.1887 3.2594 k = 0.3503 0.3546-0.0000 ( 14602 PWs) bands (ev): -22.8876 -22.8862 -22.8838 -22.8825 -22.8569 -22.8549 -22.8531 -22.8522 -21.8613 -21.8601 -21.8572 -21.8546 -21.8350 -21.8320 -21.8262 -21.8218 -21.8173 -21.8148 -21.8131 -21.8099 -13.3932 -13.3906 -13.0219 -13.0182 -7.8824 -7.8806 -7.3988 -7.3945 -5.8349 -5.8023 -4.7530 -4.6772 -4.3782 -4.3184 -3.2542 -3.2503 -3.0673 -3.0612 -2.5674 -2.5475 0.8431 0.8802 2.1824 2.2070 2.6797 2.7929 3.2045 3.2744 k = 0.3593 0.3637-0.0000 ( 14604 PWs) bands (ev): -22.8876 -22.8863 -22.8838 -22.8826 -22.8568 -22.8550 -22.8530 -22.8521 -21.8615 -21.8602 -21.8576 -21.8550 -21.8348 -21.8319 -21.8259 -21.8218 -21.8172 -21.8148 -21.8127 -21.8097 -13.3542 -13.3516 -13.0222 -13.0187 -7.8392 -7.8367 -7.3956 -7.3914 -5.8602 -5.8264 -4.8329 -4.7550 -4.4450 -4.3790 -3.2591 -3.2478 -3.1586 -3.1440 -2.6491 -2.6309 0.9330 0.9704 2.1789 2.2033 2.7488 2.8713 3.2134 3.2856 k = 0.3683 0.3728-0.0000 ( 14596 PWs) bands (ev): -22.8876 -22.8863 -22.8838 -22.8828 -22.8568 -22.8550 -22.8529 -22.8521 -21.8618 -21.8603 -21.8580 -21.8553 -21.8346 -21.8319 -21.8256 -21.8217 -21.8171 -21.8149 -21.8124 -21.8096 -13.3164 -13.3139 -13.0227 -13.0194 -7.7939 -7.7907 -7.3879 -7.3837 -5.8820 -5.8472 -4.9228 -4.8486 -4.5015 -4.4360 -3.3156 -3.2900 -3.2068 -3.1840 -2.7145 -2.6985 1.0244 1.0623 2.1744 2.1988 2.8052 2.9343 3.2183 3.2952 k = 0.3773 0.3818-0.0000 ( 14580 PWs) bands (ev): -22.8876 -22.8863 -22.8838 -22.8829 -22.8567 -22.8550 -22.8529 -22.8520 -21.8620 -21.8604 -21.8583 -21.8557 -21.8343 -21.8319 -21.8253 -21.8217 -21.8171 -21.8149 -21.8120 -21.8094 -13.2802 -13.2777 -13.0235 -13.0204 -7.7470 -7.7430 -7.3756 -7.3715 -5.9003 -5.8644 -5.0217 -4.9549 -4.5479 -4.4874 -3.4269 -3.4051 -3.1868 -3.1732 -2.7666 -2.7528 1.1163 1.1548 2.1695 2.1943 2.8497 2.9821 3.2206 3.3042 k = 0.3862 0.3909-0.0000 ( 14562 PWs) bands (ev): -22.8876 -22.8864 -22.8839 -22.8830 -22.8566 -22.8551 -22.8528 -22.8520 -21.8622 -21.8605 -21.8587 -21.8560 -21.8341 -21.8319 -21.8251 -21.8217 -21.8170 -21.8150 -21.8117 -21.8093 -13.2455 -13.2432 -13.0243 -13.0214 -7.6989 -7.6942 -7.3588 -7.3548 -5.9146 -5.8777 -5.1274 -5.0692 -4.5863 -4.5327 -3.5543 -3.5324 -3.1577 -3.1483 -2.8089 -2.7970 1.2077 1.2470 2.1650 2.1903 2.8846 3.0169 3.2211 3.3128 k = 0.3952 0.4000-0.0000 ( 14542 PWs) bands (ev): -22.8876 -22.8864 -22.8839 -22.8832 -22.8565 -22.8551 -22.8527 -22.8520 -21.8624 -21.8605 -21.8591 -21.8564 -21.8339 -21.8319 -21.8248 -21.8216 -21.8169 -21.8150 -21.8114 -21.8091 -13.2127 -13.2105 -13.0253 -13.0226 -7.6504 -7.6449 -7.3374 -7.3336 -5.9247 -5.8870 -5.2374 -5.1876 -4.6189 -4.5724 -3.6867 -3.6639 -3.1257 -3.1185 -2.8441 -2.8336 1.2978 1.3380 2.1612 2.1872 2.9122 3.0420 3.2196 3.3211 k = 0.4042 0.4091-0.0000 ( 14538 PWs) bands (ev): -22.8876 -22.8864 -22.8840 -22.8833 -22.8564 -22.8551 -22.8526 -22.8519 -21.8626 -21.8606 -21.8595 -21.8567 -21.8337 -21.8319 -21.8245 -21.8216 -21.8168 -21.8151 -21.8111 -21.8090 -13.1819 -13.1798 -13.0263 -13.0238 -7.6019 -7.5958 -7.3116 -7.3081 -5.9304 -5.8920 -5.3495 -5.3072 -4.6470 -4.6071 -3.8202 -3.7962 -3.0928 -3.0869 -2.8738 -2.8644 1.3855 1.4267 2.1585 2.1853 2.9355 3.0613 3.2151 3.3292 k = 0.4132 0.4182-0.0000 ( 14546 PWs) bands (ev): -22.8875 -22.8865 -22.8840 -22.8834 -22.8564 -22.8552 -22.8525 -22.8519 -21.8627 -21.8606 -21.8599 -21.8571 -21.8336 -21.8319 -21.8242 -21.8216 -21.8166 -21.8151 -21.8108 -21.8089 -13.1532 -13.1513 -13.0274 -13.0251 -7.5543 -7.5476 -7.2816 -7.2784 -5.9314 -5.8925 -5.4619 -5.4261 -4.6716 -4.6375 -3.9520 -3.9271 -3.0602 -3.0549 -2.8994 -2.8906 1.4701 1.5121 2.1569 2.1848 2.9566 3.0779 3.2064 3.3368 k = 0.4222 0.4273-0.0000 ( 14548 PWs) bands (ev): -22.8875 -22.8865 -22.8841 -22.8836 -22.8563 -22.8552 -22.8525 -22.8519 -21.8628 -21.8607 -21.8602 -21.8574 -21.8334 -21.8319 -21.8240 -21.8216 -21.8165 -21.8152 -21.8105 -21.8088 -13.1269 -13.1251 -13.0285 -13.0264 -7.5082 -7.5012 -7.2476 -7.2448 -5.9275 -5.8885 -5.5727 -5.5425 -4.6931 -4.6641 -4.0804 -4.0547 -3.0291 -3.0237 -2.9214 -2.9126 1.5504 1.5932 2.1567 2.1856 2.9778 3.0943 3.1926 3.3390 k = 0.4312 0.4364-0.0000 ( 14536 PWs) bands (ev): -22.8875 -22.8866 -22.8841 -22.8837 -22.8562 -22.8553 -22.8524 -22.8519 -21.8629 -21.8607 -21.8605 -21.8578 -21.8332 -21.8319 -21.8237 -21.8216 -21.8164 -21.8152 -21.8103 -21.8088 -13.1029 -13.1013 -13.0295 -13.0277 -7.4645 -7.4572 -7.2101 -7.2076 -5.9187 -5.8801 -5.6806 -5.6552 -4.7118 -4.6873 -4.2035 -4.1775 -3.0010 -2.9942 -2.9403 -2.9305 1.6257 1.6688 2.1577 2.1878 3.0007 3.1118 3.1737 3.2909 k = 0.4401 0.4455-0.0000 ( 14526 PWs) bands (ev): -22.8874 -22.8866 -22.8841 -22.8838 -22.8561 -22.8553 -22.8523 -22.8519 -21.8630 -21.8610 -21.8606 -21.8581 -21.8331 -21.8319 -21.8235 -21.8217 -21.8163 -21.8153 -21.8100 -21.8087 -13.0816 -13.0802 -13.0304 -13.0288 -7.4240 -7.4167 -7.1695 -7.1675 -5.9051 -5.8675 -5.7842 -5.7629 -4.7280 -4.7074 -4.3198 -4.2939 -2.9797 -2.9677 -2.9556 -2.9410 1.6948 1.7377 2.1600 2.1908 3.0266 3.1271 3.1552 3.2405 k = 0.4491 0.4546-0.0000 ( 14536 PWs) bands (ev): -22.8874 -22.8867 -22.8842 -22.8839 -22.8561 -22.8554 -22.8523 -22.8519 -21.8630 -21.8613 -21.8605 -21.8584 -21.8329 -21.8320 -21.8233 -21.8217 -21.8162 -21.8154 -21.8098 -21.8087 -13.0631 -13.0619 -13.0312 -13.0299 -7.3873 -7.3803 -7.1269 -7.1253 -5.8885 -5.8822 -5.8629 -5.8512 -4.7417 -4.7246 -4.4273 -4.4022 -2.9759 -2.9709 -2.9416 -2.9343 1.7570 1.7987 2.1634 2.1944 3.0562 3.1142 3.1658 3.1923 k = 0.4581 0.4637-0.0000 ( 14512 PWs) bands (ev): -22.8873 -22.8867 -22.8842 -22.8840 -22.8560 -22.8554 -22.8522 -22.8519 -21.8630 -21.8616 -21.8605 -21.8587 -21.8328 -21.8320 -21.8230 -21.8218 -21.8161 -21.8154 -21.8096 -21.8087 -13.0474 -13.0464 -13.0318 -13.0307 -7.3552 -7.3489 -7.0835 -7.0824 -5.9720 -5.9582 -5.8652 -5.8331 -4.7530 -4.7392 -4.5239 -4.5003 -2.9832 -2.9821 -2.9205 -2.9175 1.8115 1.8507 2.1677 2.1978 3.0882 3.0886 3.1497 3.1933 k = 0.4671 0.4728-0.0000 ( 14528 PWs) bands (ev): -22.8872 -22.8868 -22.8842 -22.8841 -22.8559 -22.8555 -22.8522 -22.8519 -21.8630 -21.8619 -21.8604 -21.8590 -21.8327 -21.8321 -21.8228 -21.8219 -21.8161 -21.8155 -21.8094 -21.8087 -13.0354 -13.0353 -13.0309 -13.0307 -7.3284 -7.3230 -7.0413 -7.0406 -6.0519 -6.0410 -5.8423 -5.8143 -4.7621 -4.7513 -4.6069 -4.5859 -2.9912 -2.9911 -2.9029 -2.9013 1.8577 1.8924 2.1729 2.2005 3.0633 3.0989 3.1389 3.2251 k = 0.4761 0.4819-0.0000 ( 14548 PWs) bands (ev): -22.8872 -22.8868 -22.8843 -22.8841 -22.8559 -22.8555 -22.8521 -22.8519 -21.8629 -21.8621 -21.8603 -21.8592 -21.8326 -21.8321 -21.8227 -21.8219 -21.8160 -21.8156 -21.8092 -21.8087 -13.0336 -13.0330 -13.0239 -13.0233 -7.3073 -7.3031 -7.0031 -7.0028 -6.1187 -6.1107 -5.8196 -5.7974 -4.7692 -4.7614 -4.6730 -4.6560 -2.9978 -2.9977 -2.8892 -2.8882 1.8950 1.9231 2.1788 2.2016 3.0431 3.0710 3.1766 3.2573 k = 0.4850 0.4909-0.0000 ( 14568 PWs) bands (ev): -22.8871 -22.8869 -22.8843 -22.8842 -22.8558 -22.8556 -22.8521 -22.8520 -21.8629 -21.8623 -21.8601 -21.8595 -21.8325 -21.8322 -21.8225 -21.8220 -21.8159 -21.8156 -21.8091 -21.8088 -13.0337 -13.0333 -13.0173 -13.0169 -7.2923 -7.2896 -6.9728 -6.9727 -6.1682 -6.1631 -5.7998 -5.7849 -4.7747 -4.7700 -4.7183 -4.7070 -3.0024 -3.0023 -2.8797 -2.8791 1.9231 1.9421 2.1851 2.2008 3.0297 3.0471 3.2195 3.2829 k = 0.4940 0.5000-0.0000 ( 14558 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k = 0.4940 0.5000-0.0000 ( 14558 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k = 0.4814 0.5000-0.0000 ( 14562 PWs) bands (ev): -22.8871 -22.8869 -22.8843 -22.8842 -22.8558 -22.8556 -22.8521 -22.8520 -21.8628 -21.8624 -21.8601 -21.8595 -21.8324 -21.8322 -21.8224 -21.8221 -21.8159 -21.8156 -21.8091 -21.8088 -13.0345 -13.0342 -13.0158 -13.0155 -7.2902 -7.2880 -6.9688 -6.9687 -6.1786 -6.1745 -5.7911 -5.7787 -4.7718 -4.7683 -4.7264 -4.7172 -3.0046 -3.0044 -2.8770 -2.8766 1.9297 1.9456 2.1828 2.1959 3.0278 3.0417 3.2328 3.2887 k = 0.4687 0.5000-0.0000 ( 14548 PWs) bands (ev): -22.8871 -22.8869 -22.8843 -22.8842 -22.8558 -22.8556 -22.8521 -22.8520 -21.8629 -21.8622 -21.8602 -21.8594 -21.8325 -21.8321 -21.8226 -21.8220 -21.8159 -21.8156 -21.8092 -21.8088 -13.0368 -13.0363 -13.0195 -13.0190 -7.3021 -7.2989 -6.9949 -6.9947 -6.1494 -6.1433 -5.7923 -5.7743 -4.7551 -4.7494 -4.6999 -4.6862 -3.0056 -3.0054 -2.8805 -2.8798 1.9132 1.9364 2.1660 2.1847 3.0361 3.0563 3.2049 3.2787 k = 0.4560 0.5000-0.0000 ( 14548 PWs) bands (ev): -22.8872 -22.8868 -22.8842 -22.8841 -22.8559 -22.8555 -22.8521 -22.8520 -21.8629 -21.8620 -21.8602 -21.8592 -21.8326 -21.8321 -21.8227 -21.8220 -21.8160 -21.8156 -21.8093 -21.8088 -13.0405 -13.0398 -13.0246 -13.0240 -7.3193 -7.3153 -7.0308 -7.0304 -6.1105 -6.1026 -5.7888 -5.7659 -4.7285 -4.7208 -4.6614 -4.6437 -3.0079 -3.0076 -2.8847 -2.8838 1.8921 1.9219 2.1419 2.1649 3.0483 3.0732 3.1776 3.2636 k = 0.4434 0.5000-0.0000 ( 14553 PWs) bands (ev): -22.8872 -22.8868 -22.8842 -22.8841 -22.8559 -22.8555 -22.8522 -22.8520 -21.8629 -21.8618 -21.8602 -21.8589 -21.8326 -21.8320 -21.8229 -21.8220 -21.8161 -21.8155 -21.8094 -21.8088 -13.0457 -13.0449 -13.0311 -13.0303 -7.3415 -7.3368 -7.0742 -7.0735 -6.0639 -6.0544 -5.7800 -5.7529 -4.6924 -4.6828 -4.6117 -4.5908 -3.0114 -3.0111 -2.8897 -2.8886 1.8664 1.9018 2.1116 2.1377 3.0629 3.0905 3.1524 3.2466 k = 0.4307 0.5000-0.0000 ( 14562 PWs) bands (ev): -22.8872 -22.8867 -22.8842 -22.8840 -22.8560 -22.8555 -22.8522 -22.8520 -21.8629 -21.8616 -21.8602 -21.8587 -21.8327 -21.8320 -21.8231 -21.8220 -21.8162 -21.8155 -21.8096 -21.8088 -13.0523 -13.0513 -13.0389 -13.0379 -7.3682 -7.3630 -7.1231 -7.1220 -6.0112 -6.0003 -5.7654 -5.7349 -4.6472 -4.6358 -4.5521 -4.5284 -3.0160 -3.0157 -2.8953 -2.8938 1.8365 1.8765 2.0764 2.1043 3.0780 3.1043 3.1314 3.2295 k = 0.4180 0.5000-0.0000 ( 14573 PWs) bands (ev): -22.8873 -22.8867 -22.8842 -22.8839 -22.8560 -22.8554 -22.8523 -22.8520 -21.8629 -21.8614 -21.8602 -21.8584 -21.8328 -21.8320 -21.8233 -21.8220 -21.8163 -21.8154 -21.8098 -21.8088 -13.0602 -13.0590 -13.0479 -13.0468 -7.3991 -7.3936 -7.1758 -7.1744 -5.9536 -5.9414 -5.7448 -5.7115 -4.5934 -4.5805 -4.4834 -4.4578 -3.0216 -3.0213 -2.9013 -2.8995 1.8026 1.8461 2.0372 2.0657 3.0917 3.1006 3.1266 3.2130 k = 0.4054 0.5000-0.0000 ( 14580 PWs) bands (ev): -22.8873 -22.8866 -22.8841 -22.8838 -22.8560 -22.8554 -22.8523 -22.8520 -21.8628 -21.8612 -21.8602 -21.8582 -21.8329 -21.8319 -21.8235 -21.8220 -21.8164 -21.8154 -21.8099 -21.8089 -13.0693 -13.0680 -13.0581 -13.0569 -7.4335 -7.4280 -7.2312 -7.2294 -5.8919 -5.8786 -5.7177 -5.6825 -4.5318 -4.5176 -4.4070 -4.3797 -3.0279 -3.0277 -2.9074 -2.9053 1.7650 1.8108 1.9949 2.0229 3.0830 3.1021 3.1326 3.1969 k = 0.3927 0.5000-0.0000 ( 14588 PWs) bands (ev): -22.8873 -22.8866 -22.8841 -22.8838 -22.8561 -22.8553 -22.8524 -22.8520 -21.8627 -21.8610 -21.8600 -21.8579 -21.8330 -21.8319 -21.8238 -21.8220 -21.8165 -21.8154 -21.8101 -21.8089 -13.0796 -13.0782 -13.0694 -13.0681 -7.4711 -7.4657 -7.2882 -7.2861 -5.8266 -5.8123 -5.6843 -5.6476 -4.4632 -4.4478 -4.3236 -4.2952 -3.0349 -3.0348 -2.9134 -2.9109 1.7239 1.7712 1.9502 1.9769 3.0641 3.1074 3.1345 3.1806 k = 0.3800 0.5000-0.0000 ( 14584 PWs) bands (ev): -22.8873 -22.8865 -22.8840 -22.8837 -22.8561 -22.8553 -22.8525 -22.8520 -21.8626 -21.8608 -21.8599 -21.8576 -21.8330 -21.8318 -21.8240 -21.8221 -21.8166 -21.8153 -21.8103 -21.8090 -13.0910 -13.0895 -13.0818 -13.0803 -7.5111 -7.5059 -7.3462 -7.3438 -5.7580 -5.7427 -5.6446 -5.6069 -4.3884 -4.3720 -4.2344 -4.2052 -3.0423 -3.0422 -2.9190 -2.9160 1.6799 1.7277 1.9035 1.9283 3.0443 3.1060 3.1297 3.1632 k = 0.3674 0.5000-0.0000 ( 14579 PWs) bands (ev): -22.8873 -22.8865 -22.8840 -22.8836 -22.8562 -22.8553 -22.8525 -22.8520 -21.8625 -21.8606 -21.8597 -21.8573 -21.8331 -21.8317 -21.8243 -21.8221 -21.8167 -21.8153 -21.8106 -21.8091 -13.1034 -13.1018 -13.0950 -13.0935 -7.5531 -7.5483 -7.4045 -7.4019 -5.6862 -5.6702 -5.5987 -5.5603 -4.3085 -4.2912 -4.1402 -4.1106 -3.0497 -3.0496 -2.9237 -2.9202 1.6331 1.6809 1.8551 1.8776 3.0227 3.0966 3.1175 3.1435 k = 0.3547 0.5000-0.0000 ( 14571 PWs) bands (ev): -22.8873 -22.8864 -22.8840 -22.8835 -22.8562 -22.8552 -22.8526 -22.8520 -21.8623 -21.8604 -21.8594 -21.8570 -21.8332 -21.8317 -21.8246 -21.8222 -21.8168 -21.8152 -21.8108 -21.8092 -13.1167 -13.1150 -13.1091 -13.1075 -7.5967 -7.5921 -7.4628 -7.4599 -5.6113 -5.5946 -5.5466 -5.5080 -4.2245 -4.2064 -4.0420 -4.0124 -3.0567 -3.0565 -2.9269 -2.9229 1.5840 1.6312 1.8052 1.8253 2.9978 3.0781 3.0970 3.1203 k = 0.3420 0.5000-0.0000 ( 14573 PWs) bands (ev): -22.8873 -22.8864 -22.8839 -22.8834 -22.8562 -22.8552 -22.8527 -22.8521 -21.8622 -21.8603 -21.8592 -21.8567 -21.8333 -21.8316 -21.8249 -21.8223 -21.8169 -21.8152 -21.8110 -21.8093 -13.1308 -13.1290 -13.1239 -13.1222 -7.6412 -7.6371 -7.5205 -7.5175 -5.5333 -5.5164 -5.4886 -5.4502 -4.1375 -4.1189 -3.9411 -3.9115 -3.0626 -3.0622 -2.9280 -2.9234 1.5328 1.5792 1.7540 1.7715 2.9681 3.0502 3.0680 3.0916 k = 0.3294 0.5000-0.0000 ( 14585 PWs) bands (ev): -22.8873 -22.8863 -22.8839 -22.8833 -22.8563 -22.8552 -22.8528 -22.8521 -21.8620 -21.8601 -21.8589 -21.8564 -21.8334 -21.8315 -21.8252 -21.8224 -21.8171 -21.8151 -21.8113 -21.8094 -13.1455 -13.1437 -13.1392 -13.1376 -7.6863 -7.6827 -7.5775 -7.5743 -5.4524 -5.4365 -5.4238 -5.3871 -4.0490 -4.0300 -3.8387 -3.8096 -3.0663 -3.0657 -2.9260 -2.9207 1.4797 1.5252 1.7017 1.7166 2.9324 3.0130 3.0301 3.0559 k = 0.3167 0.5000-0.0000 ( 14602 PWs) bands (ev): -22.8873 -22.8863 -22.8839 -22.8832 -22.8563 -22.8551 -22.8528 -22.8522 -21.8618 -21.8600 -21.8586 -21.8561 -21.8334 -21.8314 -21.8255 -21.8225 -21.8172 -21.8150 -21.8115 -21.8095 -13.1608 -13.1590 -13.1551 -13.1534 -7.7317 -7.7284 -7.6335 -7.6302 -5.3685 -5.3608 -5.3467 -5.3189 -3.9606 -3.9414 -3.7369 -3.7086 -3.0663 -3.0655 -2.9197 -2.9137 1.4251 1.4695 1.6482 1.6606 2.8895 2.9667 2.9834 3.0119 k = 0.3040 0.5000-0.0000 ( 14605 PWs) bands (ev): -22.8873 -22.8862 -22.8838 -22.8832 -22.8563 -22.8551 -22.8529 -22.8522 -21.8616 -21.8598 -21.8583 -21.8558 -21.8335 -21.8314 -21.8259 -21.8226 -21.8173 -21.8150 -21.8118 -21.8096 -13.1765 -13.1747 -13.1713 -13.1697 -7.7769 -7.7740 -7.6882 -7.6848 -5.2865 -5.2818 -5.2606 -5.2457 -3.8740 -3.8548 -3.6385 -3.6115 -3.0598 -3.0589 -2.9075 -2.9008 1.3690 1.4125 1.5935 1.6036 2.8389 2.9117 2.9282 2.9591 k = 0.2913 0.5000-0.0000 ( 14604 PWs) bands (ev): -22.8873 -22.8861 -22.8838 -22.8831 -22.8563 -22.8550 -22.8530 -22.8522 -21.8614 -21.8597 -21.8580 -21.8555 -21.8336 -21.8313 -21.8262 -21.8228 -21.8174 -21.8149 -21.8120 -21.8098 -13.1925 -13.1908 -13.1878 -13.1862 -7.8217 -7.8192 -7.7415 -7.7380 -5.2085 -5.1926 -5.1707 -5.1678 -3.7913 -3.7725 -3.5478 -3.5230 -3.0426 -3.0421 -2.8877 -2.8801 1.3115 1.3542 1.5378 1.5456 2.7804 2.8488 2.8649 2.8976 k = 0.2787 0.5000-0.0000 ( 14602 PWs) bands (ev): -22.8872 -22.8860 -22.8838 -22.8830 -22.8563 -22.8550 -22.8531 -22.8523 -21.8611 -21.8595 -21.8577 -21.8553 -21.8336 -21.8311 -21.8265 -21.8229 -21.8175 -21.8148 -21.8123 -21.8099 -13.2088 -13.2071 -13.2044 -13.2029 -7.8658 -7.8636 -7.7932 -7.7897 -5.1264 -5.1014 -5.0850 -5.0781 -3.7151 -3.6970 -3.4708 -3.4491 -3.0093 -3.0092 -2.8582 -2.8496 1.2528 1.2949 1.4808 1.4865 2.7145 2.7787 2.7943 2.8280 k = 0.2660 0.5000-0.0000 ( 14608 PWs) bands (ev): -22.8872 -22.8860 -22.8838 -22.8830 -22.8563 -22.8549 -22.8532 -22.8523 -21.8609 -21.8593 -21.8574 -21.8550 -21.8337 -21.8310 -21.8268 -21.8230 -21.8176 -21.8147 -21.8125 -21.8100 -13.2252 -13.2236 -13.2211 -13.2197 -7.9089 -7.9071 -7.8432 -7.8397 -5.0406 -5.0096 -4.9964 -4.9828 -3.6474 -3.6304 -3.4129 -3.3952 -2.9555 -2.9547 -2.8169 -2.8071 1.1929 1.2345 1.4225 1.4262 2.6421 2.7027 2.7172 2.7512 k = 0.2533 0.5000-0.0000 ( 14606 PWs) bands (ev): -22.8871 -22.8859 -22.8838 -22.8829 -22.8563 -22.8549 -22.8533 -22.8524 -21.8607 -21.8592 -21.8572 -21.8548 -21.8337 -21.8309 -21.8271 -21.8232 -21.8176 -21.8146 -21.8128 -21.8101 -13.2416 -13.2401 -13.2378 -13.2365 -7.9509 -7.9494 -7.8913 -7.8879 -4.9512 -4.9179 -4.9020 -4.8853 -3.5898 -3.5745 -3.3753 -3.3616 -2.8801 -2.8796 -2.7624 -2.7508 1.1319 1.1733 1.3627 1.3645 2.5646 2.6222 2.6348 2.6684 k = 0.2407 0.5000-0.0000 ( 14603 PWs) bands (ev): -22.8871 -22.8858 -22.8838 -22.8829 -22.8563 -22.8549 -22.8534 -22.8524 -21.8604 -21.8590 -21.8569 -21.8546 -21.8337 -21.8307 -21.8274 -21.8233 -21.8177 -21.8145 -21.8130 -21.8103 -13.2578 -13.2565 -13.2543 -13.2531 -7.9916 -7.9904 -7.9376 -7.9342 -4.8587 -4.8249 -4.8037 -4.7858 -3.5431 -3.5296 -3.3541 -3.3435 -2.7897 -2.7875 -2.6944 -2.6799 1.0698 1.1111 1.3013 1.3014 2.4835 2.5387 2.5485 2.5813 k = 0.2280 0.5000-0.0000 ( 14603 PWs) bands (ev): -22.8870 -22.8857 -22.8838 -22.8829 -22.8563 -22.8548 -22.8535 -22.8525 -21.8602 -21.8589 -21.8567 -21.8545 -21.8337 -21.8306 -21.8277 -21.8235 -21.8178 -21.8144 -21.8133 -21.8104 -13.2739 -13.2726 -13.2706 -13.2695 -8.0308 -8.0298 -7.9819 -7.9786 -4.7636 -4.7299 -4.7031 -4.6847 -3.5064 -3.4950 -3.3435 -3.3353 -2.6913 -2.6843 -2.6135 -2.5950 1.0067 1.0482 1.2367 1.2382 2.4003 2.4537 2.4595 2.4914 k = 0.2153 0.5000-0.0000 ( 14617 PWs) bands (ev): -22.8870 -22.8856 -22.8838 -22.8828 -22.8563 -22.8548 -22.8536 -22.8526 -21.8600 -21.8587 -21.8565 -21.8544 -21.8337 -21.8304 -21.8280 -21.8237 -21.8178 -21.8143 -21.8135 -21.8105 -13.2896 -13.2885 -13.2865 -13.2856 -8.0684 -8.0676 -8.0241 -8.0209 -4.6662 -4.6331 -4.6009 -4.5823 -3.4784 -3.4691 -3.3393 -3.3328 -2.5892 -2.5763 -2.5207 -2.4982 0.9426 0.9846 1.1703 1.1734 2.3168 2.3686 2.3696 2.4005 k = 0.2027 0.5000-0.0000 ( 14621 PWs) bands (ev): -22.8869 -22.8856 -22.8838 -22.8828 -22.8563 -22.8547 -22.8537 -22.8526 -21.8597 -21.8586 -21.8563 -21.8543 -21.8337 -21.8302 -21.8283 -21.8238 -21.8178 -21.8142 -21.8137 -21.8106 -13.3050 -13.3040 -13.3020 -13.3013 -8.1043 -8.1037 -8.0642 -8.0611 -4.5671 -4.5347 -4.4979 -4.4793 -3.4568 -3.4495 -3.3382 -3.3332 -2.4856 -2.4681 -2.4178 -2.3930 0.8780 0.9207 1.1023 1.1070 2.2342 2.2804 2.2844 2.3107 k = 0.1900 0.5000-0.0000 ( 14629 PWs) bands (ev): -22.8868 -22.8855 -22.8839 -22.8828 -22.8563 -22.8547 -22.8538 -22.8527 -21.8595 -21.8584 -21.8562 -21.8542 -21.8336 -21.8300 -21.8286 -21.8240 -21.8178 -21.8141 -21.8140 -21.8107 -13.3199 -13.3190 -13.3171 -13.3164 -8.1384 -8.1378 -8.1021 -8.0991 -4.4671 -4.4355 -4.3946 -4.3763 -3.4396 -3.4344 -3.3384 -3.3345 -2.3813 -2.3615 -2.3079 -2.2835 0.8132 0.8571 1.0331 1.0393 2.1532 2.1939 2.2011 2.2247 k = 0.1773 0.5000-0.0000 ( 14622 PWs) bands (ev): -22.8867 -22.8854 -22.8839 -22.8828 -22.8562 -22.8546 -22.8539 -22.8528 -21.8592 -21.8583 -21.8560 -21.8542 -21.8336 -21.8298 -21.8288 -21.8242 -21.8178 -21.8142 -21.8139 -21.8108 -13.3341 -13.3334 -13.3315 -13.3310 -8.1705 -8.1701 -8.1378 -8.1349 -4.3669 -4.3364 -4.2922 -4.2744 -3.4247 -3.4215 -3.3383 -3.3354 -2.2776 -2.2568 -2.1953 -2.1732 0.7490 0.7942 0.9633 0.9709 2.0738 2.1125 2.1179 2.1457 k = 0.1647 0.5000-0.0000 ( 14634 PWs) bands (ev): -22.8866 -22.8853 -22.8840 -22.8829 -22.8562 -22.8545 -22.8540 -22.8528 -21.8590 -21.8581 -21.8559 -21.8542 -21.8335 -21.8296 -21.8291 -21.8243 -21.8178 -21.8144 -21.8138 -21.8109 -13.3478 -13.3471 -13.3453 -13.3449 -8.2007 -8.2003 -8.1712 -8.1684 -4.2676 -4.2382 -4.1917 -4.1747 -3.4102 -3.4091 -3.3366 -3.3346 -2.1758 -2.1546 -2.0838 -2.0649 0.6861 0.7334 0.8938 0.9030 1.9958 2.0359 2.0385 2.0746 k = 0.1520 0.5000-0.0000 ( 14636 PWs) bands (ev): -22.8866 -22.8852 -22.8840 -22.8829 -22.8561 -22.8545 -22.8541 -22.8529 -21.8588 -21.8580 -21.8558 -21.8542 -21.8335 -21.8294 -21.8293 -21.8245 -21.8178 -21.8146 -21.8137 -21.8110 -13.3607 -13.3601 -13.3584 -13.3580 -8.2287 -8.2284 -8.2023 -8.1997 -4.1705 -4.1425 -4.0947 -4.0789 -3.3952 -3.3941 -3.3320 -3.3310 -2.0777 -2.0561 -1.9762 -1.9611 0.6261 0.6758 0.8261 0.8368 1.9197 1.9569 1.9727 2.0111 k = 0.1393 0.5000-0.0000 ( 14636 PWs) bands (ev): -22.8865 -22.8851 -22.8841 -22.8829 -22.8561 -22.8544 -22.8542 -22.8530 -21.8585 -21.8578 -21.8558 -21.8542 -21.8334 -21.8296 -21.8292 -21.8247 -21.8177 -21.8148 -21.8135 -21.8111 -13.3728 -13.3723 -13.3707 -13.3704 -8.2547 -8.2544 -8.2311 -8.2286 -4.0771 -4.0509 -4.0033 -3.9891 -3.3778 -3.3742 -3.3231 -3.3230 -1.9852 -1.9632 -1.8751 -1.8643 0.5706 0.6234 0.7618 0.7742 1.8467 1.8823 1.9147 1.9546 k = 0.1267 0.5000-0.0000 ( 14646 PWs) bands (ev): -22.8864 -22.8850 -22.8842 -22.8830 -22.8560 -22.8544 -22.8543 -22.8530 -21.8583 -21.8577 -21.8557 -21.8543 -21.8333 -21.8298 -21.8290 -21.8249 -21.8177 -21.8150 -21.8134 -21.8112 -13.3841 -13.3837 -13.3821 -13.3819 -8.2785 -8.2782 -8.2575 -8.2551 -3.9897 -3.9655 -3.9200 -3.9079 -3.3547 -3.3483 -3.3089 -3.3080 -1.9004 -1.8778 -1.7828 -1.7767 0.5217 0.5782 0.7030 0.7174 1.7779 1.8128 1.8639 1.9051 k = 0.1140 0.5000-0.0000 ( 14636 PWs) bands (ev): -22.8863 -22.8849 -22.8843 -22.8831 -22.8560 -22.8544 -22.8543 -22.8531 -21.8581 -21.8575 -21.8557 -21.8544 -21.8331 -21.8300 -21.8287 -21.8250 -21.8176 -21.8152 -21.8133 -21.8113 -13.3944 -13.3941 -13.3926 -13.3925 -8.3000 -8.2998 -8.2816 -8.2793 -3.9107 -3.8889 -3.8476 -3.8380 -3.3238 -3.3150 -3.2862 -3.2847 -1.8252 -1.8017 -1.7019 -1.7008 0.4816 0.5424 0.6518 0.6685 1.7140 1.7489 1.8195 1.8623 k = 0.1013 0.5000-0.0000 ( 14634 PWs) bands (ev): -22.8862 -22.8848 -22.8844 -22.8831 -22.8559 -22.8545 -22.8542 -22.8532 -21.8578 -21.8574 -21.8557 -21.8545 -21.8330 -21.8302 -21.8285 -21.8252 -21.8175 -21.8154 -21.8131 -21.8113 -13.4038 -13.4035 -13.4022 -13.4021 -8.3193 -8.3190 -8.3032 -8.3011 -3.8425 -3.8234 -3.7883 -3.7815 -3.2840 -3.2747 -3.2518 -3.2516 -1.7613 -1.7368 -1.6387 -1.6346 0.4525 0.5181 0.6104 0.6298 1.6554 1.6909 1.7807 1.8255 k = 0.0887 0.5000-0.0000 ( 14626 PWs) bands (ev): -22.8860 -22.8847 -22.8845 -22.8832 -22.8558 -22.8546 -22.8542 -22.8532 -21.8576 -21.8572 -21.8558 -21.8547 -21.8329 -21.8304 -21.8283 -21.8254 -21.8174 -21.8156 -21.8130 -21.8114 -13.4122 -13.4119 -13.4108 -13.4107 -8.3363 -8.3360 -8.3225 -8.3205 -3.7867 -3.7706 -3.7427 -3.7384 -3.2360 -3.2292 -3.2081 -3.2041 -1.7100 -1.6842 -1.5919 -1.5827 0.4362 0.5069 0.5802 0.6028 1.6023 1.6391 1.7463 1.7940 k = 0.0760 0.5000-0.0000 ( 14628 PWs) bands (ev): -22.8859 -22.8846 -22.8845 -22.8833 -22.8557 -22.8546 -22.8541 -22.8533 -21.8574 -21.8571 -21.8558 -21.8548 -21.8327 -21.8306 -21.8281 -21.8256 -21.8173 -21.8158 -21.8128 -21.8115 -13.4196 -13.4193 -13.4183 -13.4183 -8.3510 -8.3506 -8.3393 -8.3375 -3.7438 -3.7304 -3.7095 -3.7073 -3.1822 -3.1786 -3.1561 -3.1475 -1.6715 -1.6442 -1.5609 -1.5469 0.4333 0.5091 0.5618 0.5885 1.5551 1.5941 1.7146 1.7660 k = 0.0633 0.5000-0.0000 ( 14636 PWs) bands (ev): -22.8858 -22.8847 -22.8844 -22.8834 -22.8557 -22.8547 -22.8540 -22.8534 -21.8571 -21.8570 -21.8559 -21.8550 -21.8326 -21.8308 -21.8278 -21.8258 -21.8172 -21.8159 -21.8127 -21.8116 -13.4258 -13.4256 -13.4248 -13.4247 -8.3633 -8.3628 -8.3536 -8.3520 -3.7123 -3.7013 -3.6864 -3.6857 -3.1257 -3.1239 -3.1002 -3.0886 -1.6448 -1.6159 -1.5451 -1.5268 0.4433 0.5235 0.5544 0.5864 1.5145 1.5565 1.6829 1.7391 k = 0.0507 0.5000-0.0000 ( 14647 PWs) bands (ev): -22.8857 -22.8848 -22.8843 -22.8835 -22.8556 -22.8548 -22.8540 -22.8534 -21.8569 -21.8568 -21.8559 -21.8552 -21.8324 -21.8310 -21.8276 -21.8259 -21.8171 -21.8161 -21.8126 -21.8117 -13.4310 -13.4308 -13.4301 -13.4300 -8.3732 -8.3727 -8.3656 -8.3641 -3.6901 -3.6810 -3.6713 -3.6708 -3.0701 -3.0685 -3.0459 -3.0328 -1.6278 -1.5975 -1.5423 -1.5202 0.4638 0.5474 0.5557 0.5942 1.4819 1.5279 1.6479 1.7093 k = 0.0380 0.5000-0.0000 ( 14645 PWs) bands (ev): -22.8856 -22.8849 -22.8842 -22.8836 -22.8555 -22.8549 -22.8539 -22.8535 -21.8567 -21.8567 -21.8560 -21.8554 -21.8323 -21.8312 -21.8274 -21.8261 -21.8170 -21.8162 -21.8125 -21.8118 -13.4349 -13.4348 -13.4343 -13.4342 -8.3808 -8.3801 -8.3751 -8.3737 -3.6748 -3.6673 -3.6621 -3.6607 -3.0196 -3.0170 -2.9986 -2.9853 -1.6172 -1.5859 -1.5492 -1.5241 0.4907 0.5619 0.5760 0.6085 1.4594 1.5101 1.6072 1.6725 k = 0.0253 0.5000-0.0000 ( 14641 PWs) bands (ev): -22.8855 -22.8850 -22.8841 -22.8837 -22.8554 -22.8550 -22.8538 -22.8536 -21.8566 -21.8565 -21.8561 -21.8556 -21.8321 -21.8314 -21.8272 -21.8263 -21.8169 -21.8164 -21.8123 -21.8119 -13.4378 -13.4376 -13.4374 -13.4373 -8.3859 -8.3852 -8.3821 -8.3809 -3.6647 -3.6585 -3.6568 -3.6545 -2.9783 -2.9739 -2.9628 -2.9501 -1.6095 -1.5775 -1.5621 -1.5344 0.5191 0.5680 0.6038 0.6240 1.4499 1.5057 1.5615 1.6283 k = 0.0127 0.5000-0.0000 ( 14654 PWs) bands (ev): -22.8853 -22.8851 -22.8840 -22.8838 -22.8553 -22.8551 -22.8538 -22.8536 -21.8565 -21.8562 -21.8562 -21.8558 -21.8319 -21.8316 -21.8269 -21.8265 -21.8168 -21.8165 -21.8122 -21.8120 -13.4395 -13.4393 -13.4392 -13.4391 -8.3886 -8.3878 -8.3867 -8.3856 -3.6584 -3.6546 -3.6533 -3.6514 -2.9500 -2.9433 -2.9416 -2.9305 -1.6013 -1.5769 -1.5694 -1.5472 0.5441 0.5690 0.6251 0.6348 1.4561 1.5162 1.5165 1.5824 k = 0.0000 0.5000-0.0000 ( 14652 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000-0.0000 ( 14652 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000 0.0123 ( 14652 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000 0.0245 ( 14644 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000 0.0368 ( 14650 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000 0.0490 ( 14652 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000 0.0613 ( 14660 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000 0.0735 ( 14650 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000 0.0858 ( 14660 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0000 0.5000 0.0858 ( 14660 PWs) bands (ev): -22.8852 -22.8852 -22.8839 -22.8839 -22.8552 -22.8552 -22.8537 -22.8537 -21.8563 -21.8563 -21.8560 -21.8560 -21.8318 -21.8318 -21.8267 -21.8267 -21.8166 -21.8166 -21.8121 -21.8121 -13.4399 -13.4399 -13.4398 -13.4398 -8.3889 -8.3889 -8.3879 -8.3879 -3.6551 -3.6551 -3.6511 -3.6511 -2.9373 -2.9373 -2.9282 -2.9282 -1.5905 -1.5905 -1.5594 -1.5594 0.5614 0.5614 0.6359 0.6359 1.4791 1.4791 1.5431 1.5431 k = 0.0127 0.5000 0.0858 ( 14654 PWs) bands (ev): -22.8853 -22.8851 -22.8840 -22.8838 -22.8553 -22.8551 -22.8538 -22.8536 -21.8565 -21.8562 -21.8562 -21.8558 -21.8319 -21.8316 -21.8269 -21.8265 -21.8168 -21.8165 -21.8122 -21.8120 -13.4395 -13.4393 -13.4392 -13.4391 -8.3886 -8.3878 -8.3867 -8.3856 -3.6584 -3.6546 -3.6533 -3.6515 -2.9500 -2.9433 -2.9416 -2.9305 -1.6013 -1.5769 -1.5694 -1.5472 0.5441 0.5690 0.6251 0.6348 1.4561 1.5162 1.5165 1.5824 k = 0.0253 0.5000 0.0858 ( 14662 PWs) bands (ev): -22.8855 -22.8850 -22.8841 -22.8837 -22.8554 -22.8550 -22.8538 -22.8536 -21.8566 -21.8565 -21.8561 -21.8556 -21.8321 -21.8314 -21.8272 -21.8263 -21.8169 -21.8164 -21.8123 -21.8119 -13.4378 -13.4376 -13.4374 -13.4373 -8.3859 -8.3852 -8.3821 -8.3809 -3.6647 -3.6585 -3.6568 -3.6545 -2.9783 -2.9739 -2.9628 -2.9501 -1.6095 -1.5775 -1.5621 -1.5344 0.5191 0.5680 0.6038 0.6240 1.4499 1.5057 1.5615 1.6283 k = 0.0380 0.5000 0.0858 ( 14646 PWs) bands (ev): -22.8856 -22.8849 -22.8842 -22.8836 -22.8555 -22.8549 -22.8539 -22.8535 -21.8567 -21.8567 -21.8560 -21.8554 -21.8323 -21.8312 -21.8274 -21.8261 -21.8170 -21.8162 -21.8125 -21.8118 -13.4349 -13.4348 -13.4343 -13.4342 -8.3808 -8.3801 -8.3751 -8.3737 -3.6748 -3.6673 -3.6621 -3.6607 -3.0196 -3.0170 -2.9986 -2.9853 -1.6172 -1.5859 -1.5492 -1.5241 0.4907 0.5619 0.5760 0.6085 1.4594 1.5101 1.6072 1.6725 k = 0.0507 0.5000 0.0858 ( 14638 PWs) bands (ev): -22.8857 -22.8848 -22.8843 -22.8835 -22.8556 -22.8548 -22.8540 -22.8534 -21.8569 -21.8568 -21.8559 -21.8552 -21.8324 -21.8310 -21.8276 -21.8259 -21.8171 -21.8161 -21.8126 -21.8117 -13.4310 -13.4308 -13.4301 -13.4300 -8.3732 -8.3727 -8.3656 -8.3641 -3.6901 -3.6810 -3.6713 -3.6708 -3.0701 -3.0685 -3.0459 -3.0328 -1.6278 -1.5975 -1.5423 -1.5202 0.4638 0.5474 0.5557 0.5942 1.4819 1.5279 1.6479 1.7093 k = 0.0633 0.5000 0.0858 ( 14654 PWs) bands (ev): -22.8858 -22.8847 -22.8844 -22.8834 -22.8557 -22.8547 -22.8540 -22.8534 -21.8571 -21.8570 -21.8559 -21.8550 -21.8326 -21.8308 -21.8278 -21.8258 -21.8172 -21.8159 -21.8127 -21.8116 -13.4258 -13.4256 -13.4248 -13.4247 -8.3633 -8.3628 -8.3536 -8.3520 -3.7123 -3.7013 -3.6864 -3.6857 -3.1257 -3.1239 -3.1002 -3.0886 -1.6448 -1.6159 -1.5451 -1.5268 0.4433 0.5235 0.5544 0.5864 1.5145 1.5565 1.6829 1.7391 k = 0.0760 0.5000 0.0858 ( 14648 PWs) bands (ev): -22.8859 -22.8846 -22.8845 -22.8833 -22.8557 -22.8546 -22.8541 -22.8533 -21.8574 -21.8571 -21.8558 -21.8548 -21.8327 -21.8306 -21.8281 -21.8256 -21.8173 -21.8158 -21.8128 -21.8115 -13.4196 -13.4193 -13.4183 -13.4183 -8.3510 -8.3506 -8.3393 -8.3375 -3.7438 -3.7304 -3.7095 -3.7073 -3.1822 -3.1786 -3.1561 -3.1476 -1.6715 -1.6442 -1.5609 -1.5469 0.4333 0.5091 0.5618 0.5885 1.5550 1.5941 1.7146 1.7660 k = 0.0887 0.5000 0.0858 ( 14646 PWs) bands (ev): -22.8860 -22.8847 -22.8845 -22.8832 -22.8558 -22.8546 -22.8542 -22.8532 -21.8576 -21.8572 -21.8558 -21.8547 -21.8329 -21.8304 -21.8283 -21.8254 -21.8174 -21.8156 -21.8130 -21.8114 -13.4122 -13.4119 -13.4108 -13.4107 -8.3363 -8.3360 -8.3225 -8.3205 -3.7867 -3.7706 -3.7427 -3.7384 -3.2360 -3.2292 -3.2081 -3.2041 -1.7100 -1.6842 -1.5919 -1.5827 0.4362 0.5069 0.5802 0.6028 1.6023 1.6391 1.7463 1.7940 k = 0.1013 0.5000 0.0858 ( 14636 PWs) bands (ev): -22.8862 -22.8848 -22.8844 -22.8831 -22.8559 -22.8545 -22.8542 -22.8532 -21.8578 -21.8574 -21.8557 -21.8545 -21.8330 -21.8302 -21.8285 -21.8252 -21.8175 -21.8154 -21.8131 -21.8113 -13.4038 -13.4035 -13.4022 -13.4021 -8.3193 -8.3190 -8.3032 -8.3011 -3.8425 -3.8234 -3.7883 -3.7815 -3.2840 -3.2747 -3.2518 -3.2516 -1.7613 -1.7368 -1.6387 -1.6346 0.4525 0.5181 0.6104 0.6298 1.6554 1.6909 1.7807 1.8255 k = 0.1140 0.5000 0.0858 ( 14644 PWs) bands (ev): -22.8863 -22.8849 -22.8843 -22.8831 -22.8560 -22.8544 -22.8543 -22.8531 -21.8581 -21.8575 -21.8557 -21.8544 -21.8331 -21.8300 -21.8287 -21.8250 -21.8176 -21.8152 -21.8133 -21.8113 -13.3945 -13.3941 -13.3926 -13.3925 -8.3000 -8.2998 -8.2816 -8.2793 -3.9107 -3.8889 -3.8476 -3.8380 -3.3238 -3.3150 -3.2862 -3.2847 -1.8252 -1.8017 -1.7019 -1.7008 0.4816 0.5424 0.6518 0.6685 1.7140 1.7489 1.8195 1.8623 k = 0.1267 0.5000 0.0858 ( 14644 PWs) bands (ev): -22.8864 -22.8850 -22.8842 -22.8830 -22.8560 -22.8544 -22.8543 -22.8530 -21.8583 -21.8577 -21.8557 -21.8543 -21.8333 -21.8298 -21.8290 -21.8249 -21.8177 -21.8150 -21.8134 -21.8112 -13.3841 -13.3837 -13.3821 -13.3819 -8.2785 -8.2782 -8.2575 -8.2551 -3.9897 -3.9655 -3.9200 -3.9079 -3.3547 -3.3483 -3.3089 -3.3080 -1.9004 -1.8778 -1.7828 -1.7767 0.5217 0.5782 0.7030 0.7174 1.7779 1.8128 1.8639 1.9051 k = 0.1393 0.5000 0.0858 ( 14630 PWs) bands (ev): -22.8865 -22.8851 -22.8841 -22.8829 -22.8561 -22.8544 -22.8542 -22.8530 -21.8585 -21.8578 -21.8558 -21.8542 -21.8334 -21.8296 -21.8292 -21.8247 -21.8177 -21.8148 -21.8135 -21.8111 -13.3728 -13.3723 -13.3707 -13.3704 -8.2547 -8.2544 -8.2311 -8.2286 -4.0771 -4.0509 -4.0033 -3.9891 -3.3778 -3.3742 -3.3231 -3.3230 -1.9852 -1.9632 -1.8751 -1.8643 0.5706 0.6234 0.7618 0.7742 1.8467 1.8823 1.9147 1.9546 k = 0.1520 0.5000 0.0858 ( 14624 PWs) bands (ev): -22.8866 -22.8852 -22.8840 -22.8829 -22.8561 -22.8545 -22.8541 -22.8529 -21.8588 -21.8580 -21.8558 -21.8542 -21.8335 -21.8294 -21.8293 -21.8245 -21.8178 -21.8146 -21.8137 -21.8110 -13.3607 -13.3601 -13.3584 -13.3580 -8.2287 -8.2284 -8.2023 -8.1997 -4.1705 -4.1425 -4.0947 -4.0789 -3.3952 -3.3941 -3.3320 -3.3310 -2.0777 -2.0561 -1.9762 -1.9611 0.6261 0.6758 0.8261 0.8368 1.9197 1.9569 1.9727 2.0111 k = 0.1647 0.5000 0.0858 ( 14626 PWs) bands (ev): -22.8866 -22.8853 -22.8840 -22.8829 -22.8562 -22.8545 -22.8540 -22.8528 -21.8590 -21.8581 -21.8559 -21.8542 -21.8335 -21.8296 -21.8291 -21.8243 -21.8178 -21.8144 -21.8138 -21.8109 -13.3478 -13.3471 -13.3453 -13.3449 -8.2007 -8.2003 -8.1712 -8.1684 -4.2676 -4.2382 -4.1917 -4.1747 -3.4102 -3.4091 -3.3366 -3.3346 -2.1758 -2.1546 -2.0838 -2.0649 0.6861 0.7334 0.8938 0.9030 1.9958 2.0359 2.0385 2.0746 k = 0.1773 0.5000 0.0858 ( 14624 PWs) bands (ev): -22.8867 -22.8854 -22.8839 -22.8828 -22.8562 -22.8546 -22.8539 -22.8528 -21.8592 -21.8583 -21.8560 -21.8542 -21.8336 -21.8298 -21.8288 -21.8242 -21.8178 -21.8142 -21.8139 -21.8108 -13.3341 -13.3334 -13.3315 -13.3310 -8.1705 -8.1701 -8.1378 -8.1349 -4.3669 -4.3364 -4.2922 -4.2744 -3.4247 -3.4215 -3.3383 -3.3354 -2.2776 -2.2568 -2.1953 -2.1732 0.7490 0.7942 0.9633 0.9709 2.0738 2.1125 2.1179 2.1457 k = 0.1900 0.5000 0.0858 ( 14620 PWs) bands (ev): -22.8868 -22.8855 -22.8839 -22.8828 -22.8563 -22.8547 -22.8538 -22.8527 -21.8595 -21.8584 -21.8562 -21.8542 -21.8336 -21.8300 -21.8286 -21.8240 -21.8178 -21.8141 -21.8140 -21.8107 -13.3199 -13.3190 -13.3171 -13.3164 -8.1384 -8.1378 -8.1021 -8.0991 -4.4671 -4.4355 -4.3946 -4.3763 -3.4396 -3.4344 -3.3384 -3.3345 -2.3813 -2.3615 -2.3079 -2.2835 0.8132 0.8571 1.0331 1.0393 2.1532 2.1939 2.2011 2.2247 k = 0.2027 0.5000 0.0858 ( 14626 PWs) bands (ev): -22.8869 -22.8856 -22.8838 -22.8828 -22.8563 -22.8547 -22.8537 -22.8526 -21.8597 -21.8586 -21.8563 -21.8543 -21.8337 -21.8302 -21.8283 -21.8238 -21.8178 -21.8142 -21.8137 -21.8106 -13.3050 -13.3040 -13.3020 -13.3013 -8.1043 -8.1037 -8.0642 -8.0611 -4.5671 -4.5347 -4.4979 -4.4793 -3.4568 -3.4495 -3.3382 -3.3332 -2.4856 -2.4681 -2.4178 -2.3930 0.8780 0.9207 1.1023 1.1070 2.2342 2.2804 2.2844 2.3107 k = 0.2153 0.5000 0.0858 ( 14626 PWs) bands (ev): -22.8870 -22.8856 -22.8838 -22.8828 -22.8563 -22.8548 -22.8536 -22.8526 -21.8600 -21.8587 -21.8565 -21.8544 -21.8337 -21.8304 -21.8280 -21.8237 -21.8178 -21.8143 -21.8135 -21.8105 -13.2896 -13.2885 -13.2865 -13.2856 -8.0684 -8.0676 -8.0241 -8.0209 -4.6662 -4.6331 -4.6009 -4.5823 -3.4784 -3.4691 -3.3393 -3.3328 -2.5892 -2.5763 -2.5207 -2.4982 0.9426 0.9846 1.1703 1.1734 2.3168 2.3686 2.3696 2.4005 k = 0.2280 0.5000 0.0858 ( 14620 PWs) bands (ev): -22.8870 -22.8857 -22.8838 -22.8829 -22.8563 -22.8548 -22.8535 -22.8525 -21.8602 -21.8589 -21.8567 -21.8545 -21.8337 -21.8306 -21.8277 -21.8235 -21.8178 -21.8144 -21.8133 -21.8104 -13.2739 -13.2726 -13.2706 -13.2695 -8.0308 -8.0298 -7.9819 -7.9786 -4.7636 -4.7299 -4.7031 -4.6847 -3.5064 -3.4950 -3.3435 -3.3353 -2.6913 -2.6843 -2.6135 -2.5950 1.0067 1.0482 1.2367 1.2382 2.4003 2.4537 2.4595 2.4914 k = 0.2407 0.5000 0.0858 ( 14610 PWs) bands (ev): -22.8871 -22.8858 -22.8838 -22.8829 -22.8563 -22.8549 -22.8534 -22.8524 -21.8604 -21.8590 -21.8569 -21.8546 -21.8337 -21.8307 -21.8274 -21.8233 -21.8177 -21.8145 -21.8130 -21.8103 -13.2578 -13.2565 -13.2543 -13.2531 -7.9916 -7.9904 -7.9376 -7.9342 -4.8587 -4.8249 -4.8037 -4.7858 -3.5431 -3.5296 -3.3541 -3.3435 -2.7897 -2.7875 -2.6944 -2.6799 1.0698 1.1111 1.3013 1.3014 2.4835 2.5387 2.5485 2.5813 k = 0.2533 0.5000 0.0858 ( 14606 PWs) bands (ev): -22.8871 -22.8859 -22.8838 -22.8829 -22.8563 -22.8549 -22.8533 -22.8524 -21.8607 -21.8592 -21.8572 -21.8548 -21.8337 -21.8309 -21.8271 -21.8232 -21.8176 -21.8146 -21.8128 -21.8101 -13.2416 -13.2401 -13.2378 -13.2365 -7.9509 -7.9494 -7.8913 -7.8879 -4.9512 -4.9179 -4.9020 -4.8853 -3.5898 -3.5745 -3.3753 -3.3616 -2.8801 -2.8796 -2.7624 -2.7508 1.1319 1.1733 1.3627 1.3645 2.5646 2.6222 2.6348 2.6684 k = 0.2660 0.5000 0.0858 ( 14600 PWs) bands (ev): -22.8872 -22.8860 -22.8838 -22.8830 -22.8563 -22.8549 -22.8532 -22.8523 -21.8609 -21.8593 -21.8574 -21.8550 -21.8337 -21.8310 -21.8268 -21.8230 -21.8176 -21.8147 -21.8125 -21.8100 -13.2252 -13.2236 -13.2211 -13.2197 -7.9089 -7.9071 -7.8432 -7.8397 -5.0406 -5.0096 -4.9964 -4.9828 -3.6474 -3.6304 -3.4129 -3.3952 -2.9555 -2.9547 -2.8169 -2.8071 1.1929 1.2345 1.4225 1.4262 2.6421 2.7027 2.7172 2.7512 k = 0.2787 0.5000 0.0858 ( 14588 PWs) bands (ev): -22.8872 -22.8860 -22.8838 -22.8830 -22.8563 -22.8550 -22.8531 -22.8523 -21.8611 -21.8595 -21.8577 -21.8553 -21.8336 -21.8311 -21.8265 -21.8229 -21.8175 -21.8148 -21.8123 -21.8099 -13.2088 -13.2071 -13.2044 -13.2029 -7.8658 -7.8636 -7.7932 -7.7897 -5.1264 -5.1014 -5.0850 -5.0781 -3.7151 -3.6970 -3.4708 -3.4491 -3.0093 -3.0092 -2.8582 -2.8496 1.2528 1.2949 1.4808 1.4865 2.7145 2.7787 2.7943 2.8280 k = 0.2913 0.5000 0.0858 ( 14582 PWs) bands (ev): -22.8873 -22.8861 -22.8838 -22.8831 -22.8563 -22.8550 -22.8530 -22.8522 -21.8614 -21.8597 -21.8580 -21.8555 -21.8336 -21.8313 -21.8262 -21.8228 -21.8174 -21.8149 -21.8120 -21.8098 -13.1925 -13.1908 -13.1878 -13.1862 -7.8217 -7.8192 -7.7415 -7.7380 -5.2085 -5.1926 -5.1707 -5.1678 -3.7913 -3.7725 -3.5478 -3.5230 -3.0426 -3.0421 -2.8877 -2.8801 1.3115 1.3542 1.5378 1.5456 2.7804 2.8488 2.8649 2.8976 k = 0.3040 0.5000 0.0858 ( 14564 PWs) bands (ev): -22.8873 -22.8862 -22.8838 -22.8832 -22.8563 -22.8551 -22.8529 -22.8522 -21.8616 -21.8598 -21.8583 -21.8558 -21.8335 -21.8314 -21.8259 -21.8226 -21.8173 -21.8150 -21.8118 -21.8096 -13.1765 -13.1747 -13.1713 -13.1697 -7.7769 -7.7740 -7.6882 -7.6848 -5.2865 -5.2818 -5.2606 -5.2457 -3.8739 -3.8548 -3.6385 -3.6115 -3.0598 -3.0589 -2.9075 -2.9008 1.3690 1.4125 1.5935 1.6036 2.8389 2.9117 2.9282 2.9591 k = 0.3167 0.5000 0.0858 ( 14568 PWs) bands (ev): -22.8873 -22.8863 -22.8839 -22.8832 -22.8563 -22.8551 -22.8528 -22.8522 -21.8618 -21.8600 -21.8586 -21.8561 -21.8334 -21.8315 -21.8255 -21.8225 -21.8172 -21.8150 -21.8115 -21.8095 -13.1608 -13.1590 -13.1551 -13.1534 -7.7317 -7.7284 -7.6335 -7.6302 -5.3685 -5.3608 -5.3467 -5.3189 -3.9606 -3.9414 -3.7369 -3.7086 -3.0663 -3.0655 -2.9197 -2.9137 1.4251 1.4695 1.6482 1.6606 2.8895 2.9667 2.9834 3.0119 k = 0.3294 0.5000 0.0858 ( 14572 PWs) bands (ev): -22.8873 -22.8863 -22.8839 -22.8833 -22.8563 -22.8552 -22.8528 -22.8521 -21.8620 -21.8601 -21.8589 -21.8564 -21.8334 -21.8315 -21.8252 -21.8224 -21.8171 -21.8151 -21.8113 -21.8094 -13.1455 -13.1437 -13.1392 -13.1376 -7.6863 -7.6827 -7.5775 -7.5743 -5.4524 -5.4365 -5.4238 -5.3871 -4.0490 -4.0300 -3.8387 -3.8096 -3.0663 -3.0657 -2.9260 -2.9207 1.4797 1.5252 1.7017 1.7166 2.9324 3.0130 3.0301 3.0559 k = 0.3420 0.5000 0.0858 ( 14568 PWs) bands (ev): -22.8873 -22.8864 -22.8839 -22.8834 -22.8562 -22.8552 -22.8527 -22.8521 -21.8622 -21.8603 -21.8592 -21.8567 -21.8333 -21.8316 -21.8249 -21.8223 -21.8169 -21.8152 -21.8110 -21.8093 -13.1308 -13.1290 -13.1239 -13.1222 -7.6412 -7.6371 -7.5205 -7.5175 -5.5333 -5.5164 -5.4886 -5.4502 -4.1375 -4.1189 -3.9411 -3.9115 -3.0626 -3.0622 -2.9280 -2.9234 1.5328 1.5792 1.7540 1.7715 2.9681 3.0502 3.0680 3.0916 k = 0.3547 0.5000 0.0858 ( 14576 PWs) bands (ev): -22.8873 -22.8864 -22.8840 -22.8835 -22.8562 -22.8552 -22.8526 -22.8520 -21.8623 -21.8604 -21.8594 -21.8570 -21.8332 -21.8317 -21.8246 -21.8222 -21.8168 -21.8152 -21.8108 -21.8092 -13.1167 -13.1150 -13.1091 -13.1075 -7.5967 -7.5921 -7.4628 -7.4599 -5.6113 -5.5946 -5.5466 -5.5080 -4.2245 -4.2064 -4.0420 -4.0124 -3.0567 -3.0565 -2.9269 -2.9229 1.5840 1.6312 1.8052 1.8253 2.9978 3.0781 3.0970 3.1203 k = 0.3674 0.5000 0.0858 ( 14576 PWs) bands (ev): -22.8873 -22.8865 -22.8840 -22.8836 -22.8562 -22.8553 -22.8525 -22.8520 -21.8625 -21.8606 -21.8597 -21.8573 -21.8331 -21.8317 -21.8243 -21.8221 -21.8167 -21.8153 -21.8106 -21.8091 -13.1034 -13.1018 -13.0950 -13.0935 -7.5531 -7.5483 -7.4045 -7.4019 -5.6862 -5.6701 -5.5987 -5.5603 -4.3085 -4.2912 -4.1402 -4.1106 -3.0497 -3.0496 -2.9237 -2.9202 1.6331 1.6809 1.8551 1.8776 3.0227 3.0966 3.1175 3.1435 k = 0.3800 0.5000 0.0858 ( 14574 PWs) bands (ev): -22.8873 -22.8865 -22.8840 -22.8837 -22.8561 -22.8553 -22.8525 -22.8520 -21.8626 -21.8608 -21.8599 -21.8576 -21.8330 -21.8318 -21.8240 -21.8221 -21.8166 -21.8153 -21.8103 -21.8090 -13.0910 -13.0895 -13.0818 -13.0803 -7.5111 -7.5059 -7.3462 -7.3438 -5.7580 -5.7427 -5.6446 -5.6069 -4.3884 -4.3720 -4.2344 -4.2052 -3.0423 -3.0422 -2.9190 -2.9160 1.6799 1.7277 1.9035 1.9283 3.0443 3.1060 3.1297 3.1632 k = 0.3927 0.5000 0.0858 ( 14572 PWs) bands (ev): -22.8873 -22.8866 -22.8841 -22.8838 -22.8561 -22.8553 -22.8524 -22.8520 -21.8627 -21.8610 -21.8600 -21.8579 -21.8330 -21.8319 -21.8238 -21.8220 -21.8165 -21.8154 -21.8101 -21.8089 -13.0796 -13.0782 -13.0694 -13.0681 -7.4711 -7.4657 -7.2882 -7.2861 -5.8266 -5.8122 -5.6843 -5.6476 -4.4632 -4.4478 -4.3236 -4.2952 -3.0349 -3.0348 -2.9134 -2.9109 1.7239 1.7712 1.9502 1.9769 3.0641 3.1074 3.1345 3.1806 k = 0.4054 0.5000 0.0858 ( 14562 PWs) bands (ev): -22.8873 -22.8866 -22.8841 -22.8838 -22.8560 -22.8554 -22.8523 -22.8520 -21.8628 -21.8612 -21.8602 -21.8582 -21.8329 -21.8319 -21.8235 -21.8220 -21.8164 -21.8154 -21.8099 -21.8089 -13.0693 -13.0680 -13.0581 -13.0569 -7.4335 -7.4280 -7.2312 -7.2294 -5.8919 -5.8786 -5.7177 -5.6825 -4.5318 -4.5176 -4.4070 -4.3797 -3.0279 -3.0277 -2.9074 -2.9053 1.7650 1.8108 1.9949 2.0229 3.0830 3.1021 3.1326 3.1969 k = 0.4180 0.5000 0.0858 ( 14560 PWs) bands (ev): -22.8873 -22.8867 -22.8842 -22.8839 -22.8560 -22.8554 -22.8523 -22.8520 -21.8629 -21.8614 -21.8602 -21.8584 -21.8328 -21.8320 -21.8233 -21.8220 -21.8163 -21.8154 -21.8098 -21.8088 -13.0602 -13.0590 -13.0479 -13.0468 -7.3991 -7.3936 -7.1758 -7.1744 -5.9536 -5.9414 -5.7448 -5.7115 -4.5934 -4.5805 -4.4834 -4.4578 -3.0216 -3.0213 -2.9013 -2.8995 1.8026 1.8461 2.0372 2.0657 3.0917 3.1006 3.1266 3.2130 k = 0.4307 0.5000 0.0858 ( 14558 PWs) bands (ev): -22.8872 -22.8867 -22.8842 -22.8840 -22.8560 -22.8555 -22.8522 -22.8520 -21.8629 -21.8616 -21.8602 -21.8587 -21.8327 -21.8320 -21.8231 -21.8220 -21.8162 -21.8155 -21.8096 -21.8088 -13.0523 -13.0513 -13.0389 -13.0379 -7.3682 -7.3630 -7.1231 -7.1220 -6.0112 -6.0003 -5.7654 -5.7349 -4.6472 -4.6358 -4.5521 -4.5284 -3.0160 -3.0157 -2.8953 -2.8938 1.8365 1.8765 2.0764 2.1043 3.0780 3.1043 3.1314 3.2295 k = 0.4434 0.5000 0.0858 ( 14554 PWs) bands (ev): -22.8872 -22.8868 -22.8842 -22.8841 -22.8559 -22.8555 -22.8522 -22.8520 -21.8629 -21.8618 -21.8602 -21.8589 -21.8326 -21.8320 -21.8229 -21.8220 -21.8161 -21.8155 -21.8094 -21.8088 -13.0457 -13.0449 -13.0311 -13.0303 -7.3415 -7.3368 -7.0742 -7.0735 -6.0639 -6.0544 -5.7800 -5.7529 -4.6924 -4.6828 -4.6117 -4.5908 -3.0114 -3.0111 -2.8897 -2.8886 1.8664 1.9018 2.1116 2.1377 3.0629 3.0905 3.1524 3.2466 k = 0.4560 0.5000 0.0858 ( 14552 PWs) bands (ev): -22.8872 -22.8868 -22.8842 -22.8841 -22.8559 -22.8555 -22.8521 -22.8520 -21.8629 -21.8620 -21.8602 -21.8592 -21.8326 -21.8321 -21.8227 -21.8220 -21.8160 -21.8156 -21.8093 -21.8088 -13.0405 -13.0398 -13.0246 -13.0240 -7.3193 -7.3153 -7.0308 -7.0304 -6.1105 -6.1026 -5.7888 -5.7659 -4.7285 -4.7208 -4.6614 -4.6437 -3.0079 -3.0076 -2.8847 -2.8838 1.8921 1.9219 2.1419 2.1649 3.0483 3.0732 3.1776 3.2636 k = 0.4687 0.5000 0.0858 ( 14552 PWs) bands (ev): -22.8871 -22.8869 -22.8843 -22.8842 -22.8558 -22.8556 -22.8521 -22.8520 -21.8629 -21.8622 -21.8602 -21.8594 -21.8325 -21.8321 -21.8226 -21.8220 -21.8159 -21.8156 -21.8092 -21.8088 -13.0368 -13.0363 -13.0195 -13.0190 -7.3021 -7.2989 -6.9949 -6.9947 -6.1494 -6.1433 -5.7923 -5.7743 -4.7551 -4.7494 -4.6999 -4.6862 -3.0056 -3.0054 -2.8805 -2.8798 1.9132 1.9364 2.1660 2.1847 3.0361 3.0563 3.2049 3.2787 k = 0.4814 0.5000 0.0858 ( 14552 PWs) bands (ev): -22.8871 -22.8869 -22.8843 -22.8842 -22.8558 -22.8556 -22.8521 -22.8520 -21.8628 -21.8624 -21.8601 -21.8595 -21.8324 -21.8322 -21.8224 -21.8221 -21.8159 -21.8156 -21.8091 -21.8088 -13.0345 -13.0342 -13.0158 -13.0155 -7.2902 -7.2880 -6.9688 -6.9687 -6.1786 -6.1745 -5.7911 -5.7787 -4.7718 -4.7683 -4.7264 -4.7172 -3.0046 -3.0044 -2.8770 -2.8766 1.9297 1.9456 2.1828 2.1959 3.0278 3.0417 3.2328 3.2887 k = 0.4940 0.5000 0.0858 ( 14544 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k = 0.4940 0.5000 0.0858 ( 14544 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k = 0.4850 0.4909 0.0858 ( 14546 PWs) bands (ev): -22.8871 -22.8869 -22.8843 -22.8842 -22.8558 -22.8556 -22.8521 -22.8520 -21.8629 -21.8623 -21.8601 -21.8595 -21.8325 -21.8322 -21.8225 -21.8220 -21.8159 -21.8156 -21.8091 -21.8088 -13.0337 -13.0333 -13.0173 -13.0169 -7.2923 -7.2896 -6.9728 -6.9727 -6.1682 -6.1631 -5.7998 -5.7849 -4.7747 -4.7700 -4.7183 -4.7070 -3.0024 -3.0023 -2.8797 -2.8791 1.9231 1.9421 2.1851 2.2008 3.0297 3.0471 3.2195 3.2829 k = 0.4761 0.4819 0.0858 ( 14550 PWs) bands (ev): -22.8872 -22.8868 -22.8843 -22.8841 -22.8559 -22.8555 -22.8521 -22.8519 -21.8629 -21.8621 -21.8603 -21.8592 -21.8326 -21.8321 -21.8227 -21.8219 -21.8160 -21.8156 -21.8092 -21.8087 -13.0336 -13.0330 -13.0239 -13.0233 -7.3073 -7.3031 -7.0031 -7.0028 -6.1187 -6.1107 -5.8196 -5.7974 -4.7692 -4.7614 -4.6730 -4.6560 -2.9978 -2.9977 -2.8892 -2.8882 1.8950 1.9231 2.1788 2.2016 3.0431 3.0710 3.1766 3.2573 k = 0.4671 0.4728 0.0858 ( 14552 PWs) bands (ev): -22.8872 -22.8868 -22.8842 -22.8841 -22.8559 -22.8555 -22.8522 -22.8519 -21.8630 -21.8619 -21.8604 -21.8590 -21.8327 -21.8321 -21.8228 -21.8219 -21.8161 -21.8155 -21.8094 -21.8087 -13.0354 -13.0353 -13.0309 -13.0307 -7.3284 -7.3230 -7.0413 -7.0406 -6.0519 -6.0410 -5.8423 -5.8143 -4.7621 -4.7513 -4.6069 -4.5859 -2.9912 -2.9911 -2.9029 -2.9013 1.8577 1.8924 2.1729 2.2005 3.0633 3.0989 3.1389 3.2251 k = 0.4581 0.4637 0.0858 ( 14542 PWs) bands (ev): -22.8873 -22.8867 -22.8842 -22.8840 -22.8560 -22.8554 -22.8522 -22.8519 -21.8630 -21.8616 -21.8605 -21.8587 -21.8328 -21.8320 -21.8230 -21.8218 -21.8161 -21.8154 -21.8096 -21.8087 -13.0474 -13.0464 -13.0318 -13.0307 -7.3552 -7.3489 -7.0835 -7.0824 -5.9720 -5.9582 -5.8652 -5.8331 -4.7530 -4.7392 -4.5239 -4.5003 -2.9832 -2.9821 -2.9205 -2.9175 1.8115 1.8507 2.1677 2.1978 3.0882 3.0886 3.1497 3.1933 k = 0.4491 0.4546 0.0858 ( 14540 PWs) bands (ev): -22.8874 -22.8867 -22.8842 -22.8839 -22.8561 -22.8554 -22.8523 -22.8519 -21.8630 -21.8613 -21.8605 -21.8584 -21.8329 -21.8320 -21.8233 -21.8217 -21.8162 -21.8154 -21.8098 -21.8087 -13.0631 -13.0619 -13.0312 -13.0299 -7.3873 -7.3803 -7.1269 -7.1253 -5.8885 -5.8822 -5.8629 -5.8512 -4.7417 -4.7246 -4.4273 -4.4022 -2.9759 -2.9709 -2.9416 -2.9344 1.7570 1.7987 2.1634 2.1944 3.0562 3.1142 3.1658 3.1923 k = 0.4401 0.4455 0.0858 ( 14550 PWs) bands (ev): -22.8874 -22.8866 -22.8841 -22.8838 -22.8561 -22.8553 -22.8523 -22.8519 -21.8630 -21.8610 -21.8606 -21.8581 -21.8331 -21.8319 -21.8235 -21.8217 -21.8163 -21.8153 -21.8100 -21.8087 -13.0816 -13.0802 -13.0304 -13.0288 -7.4240 -7.4167 -7.1695 -7.1675 -5.9051 -5.8675 -5.7842 -5.7629 -4.7280 -4.7074 -4.3198 -4.2939 -2.9797 -2.9677 -2.9556 -2.9410 1.6948 1.7377 2.1600 2.1908 3.0266 3.1271 3.1552 3.2405 k = 0.4312 0.4364 0.0858 ( 14548 PWs) bands (ev): -22.8875 -22.8866 -22.8841 -22.8837 -22.8562 -22.8553 -22.8524 -22.8519 -21.8629 -21.8607 -21.8605 -21.8578 -21.8332 -21.8319 -21.8237 -21.8216 -21.8164 -21.8152 -21.8103 -21.8088 -13.1029 -13.1013 -13.0295 -13.0277 -7.4645 -7.4572 -7.2101 -7.2076 -5.9186 -5.8801 -5.6806 -5.6552 -4.7118 -4.6873 -4.2035 -4.1775 -3.0010 -2.9942 -2.9403 -2.9305 1.6257 1.6688 2.1577 2.1878 3.0007 3.1118 3.1737 3.2909 k = 0.4222 0.4273 0.0858 ( 14536 PWs) bands (ev): -22.8875 -22.8865 -22.8841 -22.8836 -22.8563 -22.8552 -22.8525 -22.8519 -21.8628 -21.8607 -21.8602 -21.8574 -21.8334 -21.8319 -21.8240 -21.8216 -21.8165 -21.8152 -21.8105 -21.8088 -13.1269 -13.1251 -13.0285 -13.0264 -7.5082 -7.5012 -7.2476 -7.2448 -5.9275 -5.8885 -5.5727 -5.5425 -4.6931 -4.6641 -4.0804 -4.0547 -3.0291 -3.0237 -2.9214 -2.9126 1.5504 1.5932 2.1567 2.1856 2.9778 3.0943 3.1926 3.3390 k = 0.4132 0.4182 0.0858 ( 14534 PWs) bands (ev): -22.8875 -22.8865 -22.8840 -22.8834 -22.8564 -22.8552 -22.8525 -22.8519 -21.8627 -21.8606 -21.8599 -21.8571 -21.8336 -21.8319 -21.8242 -21.8216 -21.8166 -21.8151 -21.8108 -21.8089 -13.1532 -13.1513 -13.0274 -13.0251 -7.5543 -7.5476 -7.2816 -7.2784 -5.9314 -5.8925 -5.4619 -5.4261 -4.6716 -4.6375 -3.9520 -3.9271 -3.0602 -3.0549 -2.8994 -2.8906 1.4701 1.5121 2.1569 2.1848 2.9566 3.0779 3.2064 3.3368 k = 0.4042 0.4091 0.0858 ( 14550 PWs) bands (ev): -22.8876 -22.8864 -22.8840 -22.8833 -22.8564 -22.8551 -22.8526 -22.8519 -21.8626 -21.8606 -21.8595 -21.8567 -21.8337 -21.8319 -21.8245 -21.8216 -21.8168 -21.8151 -21.8111 -21.8090 -13.1819 -13.1798 -13.0263 -13.0238 -7.6019 -7.5958 -7.3116 -7.3081 -5.9304 -5.8920 -5.3495 -5.3072 -4.6470 -4.6071 -3.8202 -3.7962 -3.0928 -3.0869 -2.8738 -2.8644 1.3855 1.4267 2.1585 2.1853 2.9355 3.0613 3.2151 3.3292 k = 0.3952 0.4000 0.0858 ( 14570 PWs) bands (ev): -22.8876 -22.8864 -22.8839 -22.8832 -22.8565 -22.8551 -22.8527 -22.8520 -21.8624 -21.8605 -21.8591 -21.8564 -21.8339 -21.8319 -21.8248 -21.8216 -21.8169 -21.8150 -21.8114 -21.8091 -13.2127 -13.2105 -13.0253 -13.0226 -7.6504 -7.6449 -7.3374 -7.3336 -5.9247 -5.8870 -5.2374 -5.1876 -4.6189 -4.5724 -3.6867 -3.6639 -3.1257 -3.1185 -2.8441 -2.8336 1.2978 1.3380 2.1612 2.1872 2.9122 3.0420 3.2196 3.3211 k = 0.3862 0.3909 0.0858 ( 14574 PWs) bands (ev): -22.8876 -22.8864 -22.8839 -22.8830 -22.8566 -22.8551 -22.8528 -22.8520 -21.8622 -21.8605 -21.8587 -21.8560 -21.8341 -21.8319 -21.8251 -21.8217 -21.8170 -21.8150 -21.8117 -21.8093 -13.2455 -13.2432 -13.0243 -13.0214 -7.6989 -7.6942 -7.3588 -7.3548 -5.9146 -5.8777 -5.1274 -5.0692 -4.5863 -4.5327 -3.5543 -3.5324 -3.1577 -3.1483 -2.8089 -2.7970 1.2077 1.2470 2.1650 2.1903 2.8846 3.0168 3.2211 3.3128 k = 0.3773 0.3818 0.0858 ( 14588 PWs) bands (ev): -22.8876 -22.8863 -22.8838 -22.8829 -22.8567 -22.8550 -22.8529 -22.8520 -21.8620 -21.8604 -21.8583 -21.8557 -21.8343 -21.8319 -21.8253 -21.8217 -21.8171 -21.8149 -21.8120 -21.8094 -13.2802 -13.2777 -13.0235 -13.0204 -7.7470 -7.7430 -7.3756 -7.3715 -5.9003 -5.8644 -5.0217 -4.9549 -4.5479 -4.4874 -3.4269 -3.4051 -3.1868 -3.1732 -2.7666 -2.7528 1.1163 1.1548 2.1695 2.1943 2.8497 2.9821 3.2206 3.3042 k = 0.3683 0.3728 0.0858 ( 14578 PWs) bands (ev): -22.8876 -22.8863 -22.8838 -22.8828 -22.8568 -22.8550 -22.8529 -22.8521 -21.8618 -21.8603 -21.8580 -21.8553 -21.8346 -21.8319 -21.8256 -21.8217 -21.8171 -21.8149 -21.8124 -21.8096 -13.3164 -13.3139 -13.0227 -13.0194 -7.7939 -7.7907 -7.3879 -7.3837 -5.8820 -5.8472 -4.9228 -4.8486 -4.5015 -4.4360 -3.3156 -3.2900 -3.2068 -3.1840 -2.7145 -2.6985 1.0244 1.0623 2.1744 2.1988 2.8052 2.9343 3.2183 3.2952 k = 0.3593 0.3637 0.0858 ( 14570 PWs) bands (ev): -22.8876 -22.8863 -22.8838 -22.8826 -22.8568 -22.8550 -22.8530 -22.8521 -21.8615 -21.8602 -21.8576 -21.8550 -21.8348 -21.8319 -21.8259 -21.8218 -21.8172 -21.8148 -21.8127 -21.8097 -13.3542 -13.3516 -13.0222 -13.0187 -7.8392 -7.8367 -7.3956 -7.3914 -5.8602 -5.8264 -4.8329 -4.7550 -4.4450 -4.3789 -3.2591 -3.2478 -3.1586 -3.1440 -2.6491 -2.6309 0.9330 0.9704 2.1789 2.2033 2.7488 2.8713 3.2134 3.2856 k = 0.3503 0.3546 0.0858 ( 14570 PWs) bands (ev): -22.8876 -22.8862 -22.8838 -22.8825 -22.8569 -22.8549 -22.8531 -22.8522 -21.8613 -21.8601 -21.8572 -21.8546 -21.8350 -21.8320 -21.8262 -21.8218 -21.8173 -21.8148 -21.8131 -21.8099 -13.3932 -13.3906 -13.0219 -13.0182 -7.8824 -7.8806 -7.3988 -7.3945 -5.8349 -5.8023 -4.7530 -4.6772 -4.3782 -4.3184 -3.2542 -3.2503 -3.0673 -3.0612 -2.5674 -2.5475 0.8431 0.8802 2.1824 2.2070 2.6797 2.7929 3.2045 3.2744 k = 0.3413 0.3455 0.0858 ( 14590 PWs) bands (ev): -22.8876 -22.8862 -22.8837 -22.8824 -22.8570 -22.8549 -22.8532 -22.8523 -21.8610 -21.8600 -21.8568 -21.8543 -21.8352 -21.8320 -21.8264 -21.8219 -21.8174 -21.8147 -21.8135 -21.8101 -13.4333 -13.4307 -13.0218 -13.0180 -7.9231 -7.9220 -7.3974 -7.3931 -5.8066 -5.7751 -4.6831 -4.6148 -4.3057 -4.2584 -3.2518 -3.2398 -2.9878 -2.9831 -2.4687 -2.4482 0.7558 0.7928 2.1838 2.2087 2.5981 2.7008 3.1887 3.2594 k = 0.3323 0.3364 0.0858 ( 14594 PWs) bands (ev): -22.8876 -22.8862 -22.8837 -22.8823 -22.8571 -22.8549 -22.8533 -22.8523 -21.8607 -21.8599 -21.8565 -21.8540 -21.8355 -21.8320 -21.8267 -21.8220 -21.8174 -21.8147 -21.8138 -21.8103 -13.4744 -13.4717 -13.0220 -13.0181 -7.9610 -7.9606 -7.3916 -7.3873 -5.7753 -5.7449 -4.6221 -4.5643 -4.2354 -4.2044 -3.2330 -3.2143 -2.9218 -2.9176 -2.3560 -2.3363 0.6725 0.7096 2.1818 2.2073 2.5055 2.5977 3.1621 3.2321 k = 0.3234 0.3273 0.0858 ( 14596 PWs) bands (ev): -22.8876 -22.8861 -22.8837 -22.8822 -22.8572 -22.8549 -22.8534 -22.8524 -21.8604 -21.8598 -21.8561 -21.8537 -21.8357 -21.8321 -21.8270 -21.8221 -21.8175 -21.8146 -21.8142 -21.8106 -13.5162 -13.5135 -13.0226 -13.0185 -7.9959 -7.9958 -7.3813 -7.3772 -5.7414 -5.7120 -4.5687 -4.5224 -4.1751 -4.1612 -3.1932 -3.1687 -2.8666 -2.8630 -2.2347 -2.2166 0.5947 0.6322 2.1744 2.2008 2.4040 2.4864 3.1194 3.1755 k = 0.3144 0.3182 0.0858 ( 14598 PWs) bands (ev): -22.8876 -22.8861 -22.8837 -22.8821 -22.8573 -22.8549 -22.8535 -22.8525 -21.8602 -21.8597 -21.8558 -21.8535 -21.8360 -21.8321 -21.8272 -21.8222 -21.8175 -21.8146 -21.8146 -21.8108 -13.5586 -13.5559 -13.0235 -13.0193 -8.0279 -8.0272 -7.3667 -7.3627 -5.7050 -5.6767 -4.5217 -4.4870 -4.1312 -4.1290 -3.1304 -3.1015 -2.8193 -2.8165 -2.1103 -2.0946 0.5245 0.5625 2.1592 2.1870 2.2962 2.3696 3.0593 3.0967 k = 0.3054 0.3091 0.0858 ( 14614 PWs) bands (ev): -22.8875 -22.8861 -22.8838 -22.8821 -22.8573 -22.8549 -22.8536 -22.8526 -21.8599 -21.8595 -21.8555 -21.8533 -21.8362 -21.8322 -21.8274 -21.8223 -21.8176 -21.8149 -21.8146 -21.8110 -13.6014 -13.5988 -13.0248 -13.0205 -8.0562 -8.0550 -7.3478 -7.3439 -5.6662 -5.6389 -4.4811 -4.4577 -4.1134 -4.0971 -3.0456 -3.0141 -2.7778 -2.7759 -1.9882 -1.9752 0.4642 0.5030 2.1308 2.1630 2.1872 2.2498 2.9886 3.0132 k = 0.2964 0.3000 0.0858 ( 14608 PWs) bands (ev): -22.8875 -22.8861 -22.8838 -22.8820 -22.8574 -22.8549 -22.8537 -22.8527 -21.8596 -21.8594 -21.8553 -21.8531 -21.8365 -21.8322 -21.8277 -21.8224 -21.8176 -21.8153 -21.8145 -21.8112 -13.6445 -13.6418 -13.0265 -13.0221 -8.0807 -8.0791 -7.3248 -7.3210 -5.6253 -5.5990 -4.4477 -4.4352 -4.1039 -4.0756 -2.9423 -2.9099 -2.7404 -2.7396 -1.8730 -1.8632 0.4166 0.4563 2.0570 2.1086 2.1196 2.1354 2.9169 2.9341 k = 0.2874 0.2909 0.0858 ( 14616 PWs) bands (ev): -22.8875 -22.8860 -22.8838 -22.8820 -22.8575 -22.8549 -22.8538 -22.8528 -21.8593 -21.8593 -21.8550 -21.8529 -21.8367 -21.8323 -21.8278 -21.8225 -21.8176 -21.8156 -21.8145 -21.8114 -13.6877 -13.6850 -13.0286 -13.0242 -8.1013 -8.0993 -7.2977 -7.2941 -5.5824 -5.5572 -4.4232 -4.4208 -4.0975 -4.0593 -2.8259 -2.7934 -2.7071 -2.7060 -1.7694 -1.7627 0.3848 0.4254 1.9454 2.0058 2.0532 2.0771 2.8515 2.8641 k = 0.2785 0.2818 0.0858 ( 14632 PWs) bands (ev): -22.8874 -22.8860 -22.8839 -22.8819 -22.8576 -22.8550 -22.8539 -22.8529 -21.8592 -21.8591 -21.8548 -21.8528 -21.8369 -21.8324 -21.8280 -21.8227 -21.8177 -21.8158 -21.8145 -21.8117 -13.7308 -13.7282 -13.0312 -13.0266 -8.1178 -8.1155 -7.2666 -7.2631 -5.5377 -5.5134 -4.4158 -4.4101 -4.0883 -4.0430 -2.7100 -2.6826 -2.6654 -2.6640 -1.6813 -1.6778 0.3717 0.4131 1.8318 1.8876 1.9865 2.0104 2.7961 2.8056 k = 0.2695 0.2727 0.0858 ( 14624 PWs) bands (ev): -22.8874 -22.8860 -22.8839 -22.8819 -22.8577 -22.8550 -22.8540 -22.8530 -21.8591 -21.8588 -21.8546 -21.8527 -21.8372 -21.8325 -21.8282 -21.8228 -21.8178 -21.8160 -21.8145 -21.8119 -13.7737 -13.7711 -13.0341 -13.0296 -8.1303 -8.1276 -7.2316 -7.2283 -5.4914 -5.4680 -4.4209 -4.4097 -4.0724 -4.0234 -2.6604 -2.6550 -2.5569 -2.5369 -1.6120 -1.6113 0.3796 0.4214 1.7213 1.7735 1.9077 1.9309 2.7513 2.7585 k = 0.2605 0.2637 0.0858 ( 14632 PWs) bands (ev): -22.8874 -22.8860 -22.8840 -22.8819 -22.8577 -22.8550 -22.8541 -22.8531 -21.8590 -21.8586 -21.8545 -21.8526 -21.8374 -21.8326 -21.8283 -21.8230 -21.8179 -21.8162 -21.8145 -21.8121 -13.8162 -13.8137 -13.0375 -13.0330 -8.1385 -8.1356 -7.1928 -7.1897 -5.4435 -5.4211 -4.4353 -4.4216 -4.0484 -3.9987 -2.6377 -2.6348 -2.4242 -2.4052 -1.5647 -1.5630 0.4085 0.4501 1.6169 1.6658 1.8202 1.8426 2.7153 2.7209 k = 0.2515 0.2546 0.0858 ( 14622 PWs) bands (ev): -22.8873 -22.8860 -22.8840 -22.8819 -22.8578 -22.8551 -22.8542 -22.8532 -21.8589 -21.8584 -21.8544 -21.8526 -21.8376 -21.8327 -21.8285 -21.8231 -21.8181 -21.8162 -21.8145 -21.8122 -13.8583 -13.8559 -13.0414 -13.0368 -8.1426 -8.1394 -7.1503 -7.1474 -5.3943 -5.3728 -4.4574 -4.4433 -4.0172 -3.9690 -2.6223 -2.6203 -2.2908 -2.2748 -1.5373 -1.5338 0.4558 0.4961 1.5221 1.5680 1.7287 1.7504 2.6856 2.6899 k = 0.2425 0.2455 0.0858 ( 14626 PWs) bands (ev): -22.8873 -22.8860 -22.8841 -22.8819 -22.8579 -22.8551 -22.8543 -22.8533 -21.8589 -21.8582 -21.8543 -21.8526 -21.8378 -21.8328 -21.8286 -21.8233 -21.8183 -21.8162 -21.8145 -21.8124 -13.8999 -13.8975 -13.0456 -13.0410 -8.1424 -8.1391 -7.1042 -7.1015 -5.3439 -5.3234 -4.4855 -4.4721 -3.9807 -3.9351 -2.6141 -2.6125 -2.1611 -2.1486 -1.5265 -1.5218 0.5150 0.5526 1.4424 1.4845 1.6386 1.6600 2.6596 2.6631 k = 0.2335 0.2364 0.0858 ( 14632 PWs) bands (ev): -22.8873 -22.8861 -22.8842 -22.8820 -22.8579 -22.8552 -22.8544 -22.8535 -21.8588 -21.8580 -21.8542 -21.8526 -21.8380 -21.8329 -21.8287 -21.8235 -21.8185 -21.8161 -21.8146 -21.8125 -13.9407 -13.9384 -13.0502 -13.0457 -8.1381 -8.1347 -7.0546 -7.0521 -5.2925 -5.2729 -4.5177 -4.5055 -3.9404 -3.8979 -2.6143 -2.6129 -2.0384 -2.0297 -1.5283 -1.5229 0.5748 0.6075 1.3854 1.4216 1.5560 1.5784 2.6351 2.6382 k = 0.2246 0.2273 0.0858 ( 14624 PWs) bands (ev): -22.8872 -22.8861 -22.8843 -22.8820 -22.8580 -22.8552 -22.8546 -22.8536 -21.8588 -21.8579 -21.8542 -21.8527 -21.8382 -21.8330 -21.8288 -21.8237 -21.8187 -21.8160 -21.8147 -21.8126 -13.9807 -13.9784 -13.0552 -13.0507 -8.1297 -8.1262 -7.0016 -6.9994 -5.2402 -5.2215 -4.5527 -4.5417 -3.8976 -3.8583 -2.6244 -2.6229 -1.9260 -1.9213 -1.5379 -1.5321 0.6205 0.6454 1.3568 1.3824 1.4921 1.5183 2.6108 2.6139 k = 0.2156 0.2182 0.0858 ( 14634 PWs) bands (ev): -22.8872 -22.8861 -22.8844 -22.8821 -22.8581 -22.8553 -22.8547 -22.8537 -21.8587 -21.8577 -21.8542 -21.8528 -21.8383 -21.8332 -21.8289 -21.8239 -21.8190 -21.8158 -21.8149 -21.8126 -14.0198 -14.0176 -13.0605 -13.0561 -8.1173 -8.1136 -6.9454 -6.9434 -5.1873 -5.1696 -4.5893 -4.5797 -3.8531 -3.8170 -2.6457 -2.6439 -1.8274 -1.8269 -1.5507 -1.5446 0.6386 0.6534 1.3404 1.3535 1.4766 1.5074 2.5860 2.5892 k = 0.2066 0.2091 0.0858 ( 14644 PWs) bands (ev): -22.8872 -22.8861 -22.8845 -22.8822 -22.8581 -22.8554 -22.8548 -22.8539 -21.8587 -21.8576 -21.8542 -21.8529 -21.8384 -21.8333 -21.8289 -21.8241 -21.8192 -21.8157 -21.8150 -21.8126 -14.0580 -14.0558 -13.0662 -13.0618 -8.1009 -8.0972 -6.8860 -6.8842 -5.1340 -5.1171 -4.6267 -4.6183 -3.8076 -3.7745 -2.6792 -2.6770 -1.7502 -1.7461 -1.5628 -1.5562 0.6258 0.6313 1.3124 1.3209 1.5343 1.5634 2.5602 2.5638 k = 0.1976 0.2000 0.0858 ( 14658 PWs) bands (ev): -22.8871 -22.8862 -22.8846 -22.8823 -22.8582 -22.8554 -22.8549 -22.8540 -21.8586 -21.8575 -21.8543 -21.8531 -21.8385 -21.8335 -21.8290 -21.8243 -21.8194 -21.8155 -21.8152 -21.8126 -14.0950 -14.0929 -13.0720 -13.0678 -8.0807 -8.0770 -6.8237 -6.8221 -5.0806 -5.0645 -4.6642 -4.6571 -3.7616 -3.7313 -2.7253 -2.7225 -1.6947 -1.6856 -1.5713 -1.5634 0.5882 0.5895 1.2894 1.2960 1.6399 1.6679 2.5337 2.5377 k = 0.1886 0.1909 0.0858 ( 14642 PWs) bands (ev): -22.8871 -22.8862 -22.8847 -22.8824 -22.8582 -22.8555 -22.8550 -22.8541 -21.8586 -21.8574 -21.8543 -21.8533 -21.8386 -21.8337 -21.8290 -21.8245 -21.8196 -21.8154 -21.8153 -21.8126 -14.1308 -14.1288 -13.0781 -13.0740 -8.0568 -8.0531 -6.7585 -6.7571 -5.0272 -5.0119 -4.7012 -4.6954 -3.7154 -3.6878 -2.7836 -2.7800 -1.6635 -1.6490 -1.5737 -1.5641 0.5339 0.5395 1.2843 1.2888 1.7701 1.8005 2.5066 2.5113 k = 0.1796 0.1818 0.0858 ( 14652 PWs) bands (ev): -22.8871 -22.8862 -22.8848 -22.8825 -22.8583 -22.8556 -22.8551 -22.8543 -21.8586 -21.8573 -21.8544 -21.8535 -21.8387 -21.8339 -21.8291 -21.8247 -21.8197 -21.8156 -21.8151 -21.8125 -14.1654 -14.1635 -13.0844 -13.0803 -8.0295 -8.0258 -6.6905 -6.6893 -4.9746 -4.9597 -4.7370 -4.7326 -3.6692 -3.6443 -2.8529 -2.8486 -1.6565 -1.6384 -1.5690 -1.5586 0.4747 0.4828 1.3015 1.3032 1.9117 1.9483 2.4799 2.4852 k = 0.1707 0.1727 0.0858 ( 14648 PWs) bands (ev): -22.8870 -22.8863 -22.8849 -22.8826 -22.8583 -22.8557 -22.8552 -22.8544 -21.8586 -21.8573 -21.8545 -21.8537 -21.8388 -21.8341 -21.8291 -21.8249 -21.8199 -21.8159 -21.8149 -21.8124 -14.1987 -14.1969 -13.0908 -13.0869 -7.9988 -7.9952 -6.6201 -6.6190 -4.9241 -4.9089 -4.7701 -4.7679 -3.6235 -3.6011 -2.9319 -2.9266 -1.6712 -1.6515 -1.5591 -1.5499 0.4143 0.4237 1.3402 1.3421 2.0557 2.1013 2.4551 2.4607 k = 0.1617 0.1636 0.0858 ( 14636 PWs) bands (ev): -22.8870 -22.8863 -22.8850 -22.8827 -22.8583 -22.8558 -22.8553 -22.8546 -21.8586 -21.8573 -21.8547 -21.8540 -21.8388 -21.8343 -21.8291 -21.8251 -21.8200 -21.8161 -21.8146 -21.8124 -14.2307 -14.2289 -13.0972 -13.0935 -7.9651 -7.9616 -6.5473 -6.5464 -4.8812 -4.8635 -4.7972 -4.7950 -3.5783 -3.5584 -3.0185 -3.0124 -1.7060 -1.6859 -1.5458 -1.5381 0.3546 0.3645 1.3983 1.4047 2.1931 2.2478 2.4376 2.4407 k = 0.1527 0.1546 0.0858 ( 14624 PWs) bands (ev): -22.8870 -22.8864 -22.8850 -22.8828 -22.8584 -22.8559 -22.8554 -22.8547 -21.8586 -21.8572 -21.8548 -21.8543 -21.8389 -21.8345 -21.8291 -21.8254 -21.8201 -21.8163 -21.8144 -21.8123 -14.2611 -14.2595 -13.1037 -13.1001 -7.9286 -7.9252 -6.4724 -6.4717 -4.8698 -4.8544 -4.7896 -4.7878 -3.5341 -3.5167 -3.1111 -3.1041 -1.7597 -1.7395 -1.5293 -1.5230 0.2966 0.3066 1.4747 1.4861 2.3066 2.3458 2.4372 2.4634 k = 0.1437 0.1455 0.0858 ( 14640 PWs) bands (ev): -22.8870 -22.8865 -22.8851 -22.8830 -22.8584 -22.8560 -22.8555 -22.8548 -21.8586 -21.8572 -21.8550 -21.8546 -21.8389 -21.8348 -21.8292 -21.8256 -21.8201 -21.8165 -21.8142 -21.8122 -14.2901 -14.2885 -13.1101 -13.1067 -7.8896 -7.8863 -6.3956 -6.3950 -4.8907 -4.8805 -4.7477 -4.7462 -3.4909 -3.4761 -3.2078 -3.2000 -1.8298 -1.8095 -1.5100 -1.5048 0.2410 0.2508 1.5653 1.5820 2.3519 2.3530 2.4897 2.5679 k = 0.1347 0.1364 0.0858 ( 14636 PWs) bands (ev): -22.8870 -22.8865 -22.8852 -22.8831 -22.8584 -22.8562 -22.8556 -22.8549 -21.8586 -21.8572 -21.8551 -21.8548 -21.8389 -21.8350 -21.8292 -21.8258 -21.8202 -21.8167 -21.8140 -21.8122 -14.3176 -14.3161 -13.1165 -13.1132 -7.8484 -7.8452 -6.3173 -6.3168 -4.9179 -4.9099 -4.7008 -4.6992 -3.4490 -3.4373 -3.3068 -3.2985 -1.9130 -1.8926 -1.4887 -1.4844 0.1883 0.1977 1.6651 1.6868 2.3410 2.3524 2.5712 2.6701 k = 0.1258 0.1273 0.0858 ( 14626 PWs) bands (ev): -22.8870 -22.8866 -22.8853 -22.8832 -22.8584 -22.8563 -22.8556 -22.8551 -21.8586 -21.8572 -21.8553 -21.8551 -21.8389 -21.8352 -21.8292 -21.8260 -21.8202 -21.8169 -21.8138 -21.8121 -14.3434 -14.3420 -13.1227 -13.1196 -7.8055 -7.8024 -6.2377 -6.2373 -4.9454 -4.9385 -4.6534 -4.6527 -3.4177 -3.4096 -3.3973 -3.3893 -2.0063 -1.9857 -1.4660 -1.4624 0.1388 0.1478 1.7680 1.7932 2.3321 2.3526 2.6357 2.7136 k = 0.1168 0.1182 0.0858 ( 14630 PWs) bands (ev): -22.8870 -22.8866 -22.8854 -22.8834 -22.8584 -22.8564 -22.8557 -22.8552 -21.8586 -21.8572 -21.8555 -21.8554 -21.8389 -21.8354 -21.8292 -21.8262 -21.8202 -21.8171 -21.8135 -21.8120 -14.3676 -14.3663 -13.1287 -13.1258 -7.7611 -7.7582 -6.1573 -6.1570 -4.9716 -4.9655 -4.6079 -4.6070 -3.5110 -3.4979 -3.3698 -3.3606 -2.1068 -2.0859 -1.4427 -1.4397 0.0927 0.1011 1.8658 1.8909 2.3341 2.3667 2.6628 2.6857 k = 0.1078 0.1091 0.0858 ( 14644 PWs) bands (ev): -22.8870 -22.8867 -22.8854 -22.8835 -22.8584 -22.8565 -22.8558 -22.8553 -21.8586 -21.8573 -21.8557 -21.8556 -21.8388 -21.8357 -21.8291 -21.8265 -21.8202 -21.8173 -21.8133 -21.8119 -14.3902 -14.3890 -13.1344 -13.1317 -7.7159 -7.7131 -6.0766 -6.0763 -4.9960 -4.9905 -4.5651 -4.5623 -3.6100 -3.5959 -3.3330 -3.3270 -2.2120 -2.1906 -1.4194 -1.4168 0.0501 0.0579 1.9479 1.9677 2.3555 2.4057 2.6450 2.6519 k = 0.0988 0.1000 0.0858 ( 14660 PWs) bands (ev): -22.8870 -22.8867 -22.8854 -22.8837 -22.8584 -22.8566 -22.8559 -22.8554 -21.8586 -21.8573 -21.8560 -21.8558 -21.8388 -21.8359 -21.8291 -21.8267 -21.8202 -21.8175 -21.8131 -21.8119 -14.4111 -14.4100 -13.1399 -13.1374 -7.6703 -7.6676 -5.9962 -5.9959 -5.0185 -5.0133 -4.5248 -4.5197 -3.7069 -3.6914 -3.2984 -3.2952 -2.3195 -2.2976 -1.3965 -1.3943 0.0111 0.0183 2.0037 2.0153 2.4037 2.4739 2.6177 2.6205 k = 0.0898 0.0909 0.0858 ( 14664 PWs) bands (ev): -22.8870 -22.8868 -22.8855 -22.8838 -22.8584 -22.8568 -22.8559 -22.8555 -21.8586 -21.8573 -21.8563 -21.8560 -21.8387 -21.8361 -21.8291 -21.8269 -21.8202 -21.8177 -21.8130 -21.8118 -14.4302 -14.4292 -13.1451 -13.1428 -7.6249 -7.6224 -5.9168 -5.9164 -5.0387 -5.0338 -4.4873 -4.4796 -3.8005 -3.7830 -3.2660 -3.2659 -2.4274 -2.4048 -1.3745 -1.3726 -0.0242 -0.0177 2.0324 2.0374 2.4753 2.5511 2.5947 2.6054 k = 0.0808 0.0818 0.0858 ( 14654 PWs) bands (ev): -22.8870 -22.8868 -22.8855 -22.8840 -22.8584 -22.8569 -22.8560 -22.8556 -21.8586 -21.8573 -21.8565 -21.8561 -21.8387 -21.8363 -21.8291 -21.8271 -21.8201 -21.8179 -21.8128 -21.8118 -14.4476 -14.4467 -13.1498 -13.1478 -7.5803 -7.5780 -5.8392 -5.8388 -5.0564 -5.0519 -4.4533 -4.4424 -3.8895 -3.8697 -3.2393 -3.2362 -2.5338 -2.5102 -1.3537 -1.3521 -0.0559 -0.0500 2.0422 2.0437 2.5341 2.5509 2.6006 2.6781 k = 0.0719 0.0727 0.0858 ( 14628 PWs) bands (ev): -22.8870 -22.8869 -22.8855 -22.8841 -22.8583 -22.8570 -22.8560 -22.8557 -21.8586 -21.8573 -21.8568 -21.8563 -21.8386 -21.8365 -21.8290 -21.8273 -21.8201 -21.8181 -21.8126 -21.8117 -14.4632 -14.4624 -13.1542 -13.1523 -7.5373 -7.5352 -5.7646 -5.7640 -5.0715 -5.0672 -4.4231 -4.4084 -3.9728 -3.9500 -3.2158 -3.2091 -2.6368 -2.6118 -1.3345 -1.3331 -0.0839 -0.0787 2.0418 2.0419 2.5264 2.5293 2.6810 2.7014 k = 0.0629 0.0636 0.0858 ( 14650 PWs) bands (ev): -22.8870 -22.8869 -22.8855 -22.8842 -22.8583 -22.8571 -22.8561 -22.8558 -21.8586 -21.8573 -21.8570 -21.8564 -21.8386 -21.8367 -21.8290 -21.8274 -21.8200 -21.8183 -21.8125 -21.8117 -14.4770 -14.4763 -13.1581 -13.1565 -7.4966 -7.4947 -5.6941 -5.6934 -5.0837 -5.0796 -4.3974 -4.3781 -4.0491 -4.0225 -3.1957 -3.1850 -2.7345 -2.7076 -1.3171 -1.3159 -0.1084 -0.1038 2.0362 2.0369 2.5076 2.5086 2.6865 2.7377 k = 0.0539 0.0545 0.0858 ( 14646 PWs) bands (ev): -22.8870 -22.8870 -22.8854 -22.8844 -22.8583 -22.8572 -22.8561 -22.8559 -21.8586 -21.8573 -21.8572 -21.8566 -21.8385 -21.8369 -21.8289 -21.8276 -21.8199 -21.8184 -21.8123 -21.8117 -14.4891 -14.4884 -13.1616 -13.1602 -7.4589 -7.4573 -5.6292 -5.6284 -5.0928 -5.0890 -4.3772 -4.3522 -4.1169 -4.0857 -3.1797 -3.1643 -2.8248 -2.7954 -1.3016 -1.3006 -0.1293 -0.1254 2.0291 2.0301 2.4898 2.4903 2.6692 2.7131 k = 0.0449 0.0455 0.0858 ( 14646 PWs) bands (ev): -22.8871 -22.8870 -22.8854 -22.8845 -22.8582 -22.8574 -22.8561 -22.8559 -21.8586 -21.8574 -21.8573 -21.8567 -21.8384 -21.8371 -21.8289 -21.8278 -21.8199 -21.8186 -21.8122 -21.8116 -14.4992 -14.4987 -13.1645 -13.1633 -7.4252 -7.4238 -5.5716 -5.5707 -5.0988 -5.0952 -4.3635 -4.3321 -4.1740 -4.1374 -3.1684 -3.1477 -2.9049 -2.8726 -1.2883 -1.2875 -0.1468 -0.1435 2.0219 2.0229 2.4743 2.4746 2.6527 2.6882 k = 0.0359 0.0364 0.0858 ( 14656 PWs) bands (ev): -22.8871 -22.8870 -22.8854 -22.8846 -22.8582 -22.8575 -22.8561 -22.8560 -21.8585 -21.8576 -21.8573 -21.8568 -21.8383 -21.8373 -21.8288 -21.8279 -21.8198 -21.8188 -21.8121 -21.8116 -14.5076 -14.5071 -13.1669 -13.1660 -7.3962 -7.3951 -5.5228 -5.5218 -5.1015 -5.0984 -4.3576 -4.3215 -4.2162 -4.1759 -3.1628 -3.1370 -2.9715 -2.9363 -1.2772 -1.2766 -0.1609 -0.1583 2.0154 2.0162 2.4616 2.4617 2.6382 2.6658 k = 0.0269 0.0273 0.0858 ( 14642 PWs) bands (ev): -22.8871 -22.8871 -22.8853 -22.8847 -22.8581 -22.8576 -22.8561 -22.8560 -21.8585 -21.8578 -21.8573 -21.8569 -21.8382 -21.8374 -21.8287 -21.8281 -21.8197 -21.8189 -21.8120 -21.8117 -14.5140 -14.5137 -13.1688 -13.1681 -7.3727 -7.3719 -5.4840 -5.4831 -5.1016 -5.0991 -4.3589 -4.3260 -4.2369 -4.2009 -3.1633 -3.1354 -3.0191 -2.9841 -1.2686 -1.2681 -0.1717 -0.1698 2.0100 2.0107 2.4516 2.4517 2.6268 2.6471 k = 0.0180 0.0182 0.0858 ( 14640 PWs) bands (ev): -22.8871 -22.8871 -22.8852 -22.8849 -22.8580 -22.8577 -22.8561 -22.8561 -21.8584 -21.8580 -21.8573 -21.8570 -21.8381 -21.8376 -21.8287 -21.8282 -21.8196 -21.8190 -21.8119 -21.8117 -14.5186 -14.5184 -13.1701 -13.1696 -7.3554 -7.3548 -5.4561 -5.4554 -5.1000 -5.0982 -4.3640 -4.3419 -4.2394 -4.2152 -3.1683 -3.1458 -3.0428 -3.0156 -1.2623 -1.2620 -0.1793 -0.1780 2.0060 2.0065 2.4444 2.4445 2.6191 2.6324 k = 0.0090 0.0091 0.0858 ( 14650 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8850 -22.8579 -22.8578 -22.8561 -22.8561 -21.8583 -21.8581 -21.8572 -21.8571 -21.8380 -21.8377 -21.8286 -21.8283 -21.8194 -21.8192 -21.8118 -21.8117 -14.5214 -14.5213 -13.1709 -13.1706 -7.3447 -7.3444 -5.4394 -5.4390 -5.0980 -5.0971 -4.3678 -4.3573 -4.2351 -4.2235 -3.1730 -3.1614 -3.0481 -3.0341 -1.2585 -1.2583 -0.1837 -0.1830 2.0036 2.0038 2.4401 2.4402 2.6156 2.6222 k = 0.0000 0.0000 0.0858 ( 14670 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 2.0029 2.0029 2.4387 2.4387 2.6166 2.6166 k = 0.0000 0.0000 0.0858 ( 14670 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 2.0029 2.0029 2.4387 2.4387 2.6166 2.6166 k = 0.0000 0.0000 0.0735 ( 14660 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 2.0021 2.0022 2.4429 2.4436 2.6166 2.6167 k = 0.0000 0.0000 0.0613 ( 14658 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 2.0000 2.0001 2.4558 2.4573 2.6166 2.6169 k = 0.0000 0.0000 0.0490 ( 14644 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 1.9970 1.9972 2.4766 2.4788 2.6167 2.6172 k = 0.0000 0.0000 0.0368 ( 14644 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 1.9939 1.9940 2.5040 2.5068 2.6170 2.6178 k = 0.0000 0.0000 0.0245 ( 14647 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 1.9911 1.9913 2.5354 2.5387 2.6180 2.6190 k = 0.0000 0.0000 0.0123 ( 14643 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 1.9893 1.9894 2.5649 2.5678 2.6208 2.6217 k = 0.0000 0.0000 0.0000 ( 14643 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 1.9887 1.9887 2.5794 2.5794 2.6245 2.6245 k = 0.0000 0.0000 0.0000 ( 14643 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 1.9887 1.9887 2.5794 2.5794 2.6245 2.6245 k =-0.0091 0.0090 0.0000 ( 14636 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8378 -21.8378 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5213 -14.5213 -13.1707 -13.1707 -7.3442 -7.3442 -5.4397 -5.4397 -5.0965 -5.0965 -4.3662 -4.3662 -4.2260 -4.2260 -3.1690 -3.1690 -3.0400 -3.0400 -1.2585 -1.2585 -0.1832 -0.1832 1.9896 1.9896 2.5807 2.5807 2.6274 2.6274 k =-0.0182 0.0180 0.0000 ( 14644 PWs) bands (ev): -22.8871 -22.8871 -22.8850 -22.8850 -22.8578 -22.8578 -22.8561 -22.8561 -21.8582 -21.8582 -21.8571 -21.8571 -21.8378 -21.8378 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5185 -14.5185 -13.1699 -13.1699 -7.3537 -7.3537 -5.4578 -5.4578 -5.0951 -5.0951 -4.3672 -4.3672 -4.2146 -4.2146 -3.1637 -3.1637 -3.0256 -3.0256 -1.2626 -1.2626 -0.1779 -0.1779 1.9924 1.9924 2.5847 2.5847 2.6360 2.6360 k =-0.0273 0.0269 0.0000 ( 14642 PWs) bands (ev): -22.8871 -22.8871 -22.8850 -22.8850 -22.8578 -22.8578 -22.8561 -22.8561 -21.8582 -21.8582 -21.8571 -21.8571 -21.8377 -21.8377 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5139 -14.5139 -13.1685 -13.1685 -7.3691 -7.3691 -5.4873 -5.4873 -5.0921 -5.0921 -4.3713 -4.3713 -4.1934 -4.1934 -3.1607 -3.1607 -2.9968 -2.9968 -1.2692 -1.2692 -0.1692 -0.1692 1.9970 1.9970 2.5909 2.5909 2.6505 2.6505 k =-0.0364 0.0359 0.0000 ( 14644 PWs) bands (ev): -22.8871 -22.8871 -22.8850 -22.8850 -22.8578 -22.8578 -22.8560 -22.8560 -21.8582 -21.8582 -21.8571 -21.8571 -21.8377 -21.8377 -21.8284 -21.8284 -21.8193 -21.8193 -21.8118 -21.8118 -14.5073 -14.5073 -13.1665 -13.1665 -7.3902 -7.3902 -5.5276 -5.5276 -5.0871 -5.0871 -4.3804 -4.3804 -4.1610 -4.1610 -3.1635 -3.1635 -2.9515 -2.9515 -1.2785 -1.2785 -0.1570 -0.1570 2.0032 2.0032 2.5988 2.5988 2.6710 2.6710 k =-0.0455 0.0449 0.0000 ( 14660 PWs) bands (ev): -22.8870 -22.8870 -22.8850 -22.8850 -22.8578 -22.8578 -22.8560 -22.8560 -21.8581 -21.8581 -21.8570 -21.8570 -21.8376 -21.8376 -21.8284 -21.8284 -21.8193 -21.8193 -21.8119 -21.8119 -14.4989 -14.4989 -13.1640 -13.1640 -7.4162 -7.4162 -5.5774 -5.5774 -5.0797 -5.0797 -4.3949 -4.3949 -4.1174 -4.1174 -3.1726 -3.1726 -2.8911 -2.8911 -1.2902 -1.2902 -0.1412 -0.1412 2.0108 2.0108 2.6078 2.6078 2.6974 2.6974 k =-0.0545 0.0539 0.0000 ( 14672 PWs) bands (ev): -22.8870 -22.8870 -22.8849 -22.8849 -22.8577 -22.8577 -22.8560 -22.8560 -21.8581 -21.8581 -21.8569 -21.8569 -21.8374 -21.8374 -21.8284 -21.8284 -21.8193 -21.8193 -21.8119 -21.8119 -14.4887 -14.4887 -13.1609 -13.1609 -7.4466 -7.4466 -5.6353 -5.6353 -5.0697 -5.0697 -4.4146 -4.4146 -4.0636 -4.0636 -3.1868 -3.1868 -2.8185 -2.8185 -1.3043 -1.3043 -0.1219 -0.1219 2.0194 2.0194 2.6167 2.6167 2.7292 2.7292 k =-0.0636 0.0629 0.0000 ( 14676 PWs) bands (ev): -22.8870 -22.8870 -22.8849 -22.8849 -22.8577 -22.8577 -22.8559 -22.8559 -21.8581 -21.8581 -21.8568 -21.8568 -21.8373 -21.8373 -21.8284 -21.8284 -21.8193 -21.8193 -21.8120 -21.8120 -14.4767 -14.4767 -13.1574 -13.1574 -7.4805 -7.4805 -5.6997 -5.6997 -5.0571 -5.0571 -4.4389 -4.4389 -4.0007 -4.0007 -3.2055 -3.2055 -2.7364 -2.7364 -1.3206 -1.3206 -0.0990 -0.0990 2.0283 2.0283 2.6225 2.6225 2.7659 2.7659 k =-0.0727 0.0719 0.0000 ( 14682 PWs) bands (ev): -22.8869 -22.8869 -22.8849 -22.8849 -22.8576 -22.8576 -22.8558 -22.8558 -21.8580 -21.8580 -21.8567 -21.8567 -21.8371 -21.8371 -21.8284 -21.8284 -21.8193 -21.8193 -21.8120 -21.8120 -14.4628 -14.4628 -13.1534 -13.1534 -7.5173 -7.5173 -5.7693 -5.7693 -5.0418 -5.0418 -4.4674 -4.4674 -3.9299 -3.9299 -3.2277 -3.2277 -2.6473 -2.6473 -1.3389 -1.3389 -0.0726 -0.0726 2.0364 2.0364 2.6173 2.6173 2.7920 2.7920 k =-0.0818 0.0808 0.0000 ( 14680 PWs) bands (ev): -22.8869 -22.8869 -22.8848 -22.8848 -22.8576 -22.8576 -22.8558 -22.8558 -21.8580 -21.8580 -21.8566 -21.8566 -21.8369 -21.8369 -21.8284 -21.8284 -21.8192 -21.8192 -21.8121 -21.8121 -14.4471 -14.4471 -13.1489 -13.1489 -7.5562 -7.5562 -5.8426 -5.8426 -5.0241 -5.0241 -4.4996 -4.4996 -3.8525 -3.8525 -3.2533 -3.2533 -2.5533 -2.5533 -1.3590 -1.3590 -0.0426 -0.0426 2.0414 2.0414 2.5828 2.5828 2.7882 2.7882 k =-0.0909 0.0898 0.0000 ( 14670 PWs) bands (ev): -22.8869 -22.8869 -22.8848 -22.8848 -22.8575 -22.8575 -22.8557 -22.8557 -21.8579 -21.8579 -21.8565 -21.8565 -21.8367 -21.8367 -21.8284 -21.8284 -21.8192 -21.8192 -21.8122 -21.8122 -14.4296 -14.4296 -13.1441 -13.1441 -7.5966 -7.5966 -5.9187 -5.9187 -5.0040 -5.0040 -4.5352 -4.5352 -3.7695 -3.7695 -3.2818 -3.2818 -2.4564 -2.4564 -1.3806 -1.3806 -0.0092 -0.0092 2.0391 2.0391 2.5095 2.5095 2.7825 2.7825 k =-0.1000 0.0988 0.0000 ( 14684 PWs) bands (ev): -22.8868 -22.8868 -22.8847 -22.8847 -22.8575 -22.8575 -22.8556 -22.8556 -21.8579 -21.8579 -21.8564 -21.8564 -21.8364 -21.8364 -21.8284 -21.8284 -21.8192 -21.8192 -21.8122 -21.8122 -14.4104 -14.4104 -13.1388 -13.1388 -7.6377 -7.6377 -5.9965 -5.9965 -4.9816 -4.9816 -4.5736 -4.5736 -3.6820 -3.6820 -3.3129 -3.3129 -2.3588 -2.3588 -1.4033 -1.4033 0.0277 0.0277 2.0211 2.0211 2.4244 2.4244 2.7928 2.7928 k =-0.1091 0.1078 0.0000 ( 14690 PWs) bands (ev): -22.8868 -22.8868 -22.8846 -22.8846 -22.8574 -22.8574 -22.8555 -22.8555 -21.8578 -21.8578 -21.8563 -21.8563 -21.8362 -21.8362 -21.8284 -21.8284 -21.8192 -21.8192 -21.8123 -21.8123 -14.3895 -14.3895 -13.1333 -13.1333 -7.6790 -7.6790 -6.0753 -6.0753 -4.9571 -4.9571 -4.6146 -4.6146 -3.5911 -3.5911 -3.3464 -3.3464 -2.2623 -2.2623 -1.4270 -1.4270 0.0680 0.0680 1.9753 1.9753 2.3579 2.3579 2.8133 2.8133 k =-0.1182 0.1168 0.0000 ( 14686 PWs) bands (ev): -22.8867 -22.8867 -22.8846 -22.8846 -22.8573 -22.8573 -22.8554 -22.8554 -21.8578 -21.8578 -21.8562 -21.8562 -21.8359 -21.8359 -21.8284 -21.8284 -21.8192 -21.8192 -21.8124 -21.8124 -14.3669 -14.3669 -13.1274 -13.1274 -7.7200 -7.7200 -6.1544 -6.1544 -4.9306 -4.9306 -4.6578 -4.6578 -3.4981 -3.4981 -3.3818 -3.3818 -2.1692 -2.1692 -1.4510 -1.4510 0.1115 0.1115 1.8976 1.8976 2.3239 2.3239 2.8390 2.8390 k =-0.1273 0.1257 0.0000 ( 14688 PWs) bands (ev): -22.8867 -22.8867 -22.8845 -22.8845 -22.8572 -22.8572 -22.8553 -22.8553 -21.8578 -21.8578 -21.8560 -21.8560 -21.8356 -21.8356 -21.8284 -21.8284 -21.8191 -21.8191 -21.8124 -21.8124 -14.3426 -14.3426 -13.1213 -13.1213 -7.7600 -7.7600 -6.2333 -6.2333 -4.9026 -4.9026 -4.7025 -4.7025 -3.4232 -3.4232 -3.4001 -3.4001 -2.0817 -2.0817 -1.4750 -1.4750 0.1581 0.1581 1.7990 1.7990 2.3160 2.3160 2.8641 2.8641 k =-0.1364 0.1347 0.0000 ( 14692 PWs) bands (ev): -22.8867 -22.8867 -22.8844 -22.8844 -22.8572 -22.8572 -22.8552 -22.8552 -21.8577 -21.8577 -21.8559 -21.8559 -21.8353 -21.8353 -21.8284 -21.8284 -21.8191 -21.8191 -21.8125 -21.8125 -14.3167 -14.3167 -13.1149 -13.1149 -7.7987 -7.7987 -6.3114 -6.3114 -4.8742 -4.8742 -4.7473 -4.7473 -3.4601 -3.4601 -3.3083 -3.3083 -2.0026 -2.0026 -1.4984 -1.4984 0.2074 0.2074 1.6943 1.6943 2.3230 2.3230 2.8279 2.8279 k =-0.1455 0.1437 0.0000 ( 14692 PWs) bands (ev): -22.8866 -22.8866 -22.8844 -22.8844 -22.8571 -22.8571 -22.8551 -22.8551 -21.8577 -21.8577 -21.8558 -21.8558 -21.8350 -21.8350 -21.8285 -21.8285 -21.8191 -21.8191 -21.8125 -21.8125 -14.2892 -14.2892 -13.1084 -13.1084 -7.8357 -7.8357 -6.3884 -6.3884 -4.8522 -4.8522 -4.7854 -4.7854 -3.5010 -3.5010 -3.2154 -3.2154 -1.9345 -1.9345 -1.5208 -1.5208 0.2591 0.2591 1.5941 1.5941 2.3361 2.3361 2.6766 2.6766 k =-0.1545 0.1527 0.0000 ( 14678 PWs) bands (ev): -22.8866 -22.8866 -22.8843 -22.8843 -22.8570 -22.8570 -22.8550 -22.8550 -21.8577 -21.8577 -21.8557 -21.8557 -21.8347 -21.8347 -21.8285 -21.8285 -21.8190 -21.8190 -21.8126 -21.8126 -14.2601 -14.2601 -13.1019 -13.1019 -7.8705 -7.8705 -6.4641 -6.4641 -4.8679 -4.8679 -4.7851 -4.7851 -3.5435 -3.5435 -3.1251 -3.1251 -1.8803 -1.8803 -1.5414 -1.5414 0.3125 0.3125 1.5051 1.5051 2.3427 2.3427 2.5183 2.5183 k =-0.1636 0.1617 0.0000 ( 14672 PWs) bands (ev): -22.8865 -22.8865 -22.8842 -22.8842 -22.8569 -22.8569 -22.8549 -22.8549 -21.8577 -21.8577 -21.8556 -21.8556 -21.8343 -21.8343 -21.8285 -21.8285 -21.8190 -21.8190 -21.8126 -21.8126 -14.2296 -14.2296 -13.0952 -13.0952 -7.9029 -7.9029 -6.5380 -6.5380 -4.9126 -4.9126 -4.7550 -4.7550 -3.5871 -3.5871 -3.0389 -3.0389 -1.8429 -1.8429 -1.5597 -1.5597 0.3669 0.3669 1.4322 1.4322 2.2785 2.2785 2.4334 2.4334 k =-0.1727 0.1707 0.0000 ( 14670 PWs) bands (ev): -22.8865 -22.8865 -22.8842 -22.8842 -22.8568 -22.8568 -22.8548 -22.8548 -21.8577 -21.8577 -21.8555 -21.8555 -21.8340 -21.8340 -21.8285 -21.8285 -21.8190 -21.8190 -21.8126 -21.8126 -14.1976 -14.1976 -13.0885 -13.0885 -7.9325 -7.9325 -6.6100 -6.6100 -4.9629 -4.9629 -4.7185 -4.7185 -3.6317 -3.6317 -2.9586 -2.9586 -1.8248 -1.8248 -1.5749 -1.5749 0.4211 0.4211 1.3788 1.3788 2.1309 2.1309 2.4393 2.4393 k =-0.1818 0.1796 0.0000 ( 14676 PWs) bands (ev): -22.8865 -22.8865 -22.8841 -22.8841 -22.8567 -22.8567 -22.8547 -22.8547 -21.8577 -21.8577 -21.8554 -21.8554 -21.8337 -21.8337 -21.8285 -21.8285 -21.8189 -21.8189 -21.8126 -21.8126 -14.1643 -14.1643 -13.0819 -13.0819 -7.9591 -7.9591 -6.6798 -6.6798 -5.0150 -5.0150 -4.6791 -4.6791 -3.6772 -3.6772 -2.8858 -2.8858 -1.8279 -1.8279 -1.5865 -1.5865 0.4730 0.4730 1.3468 1.3468 1.9779 1.9779 2.4618 2.4618 k =-0.1909 0.1886 0.0000 ( 14666 PWs) bands (ev): -22.8865 -22.8865 -22.8840 -22.8840 -22.8566 -22.8566 -22.8546 -22.8546 -21.8577 -21.8577 -21.8554 -21.8554 -21.8333 -21.8333 -21.8286 -21.8286 -21.8189 -21.8189 -21.8126 -21.8126 -14.1296 -14.1296 -13.0754 -13.0754 -7.9825 -7.9825 -6.7473 -6.7473 -5.0680 -5.0680 -4.6379 -4.6379 -3.7233 -3.7233 -2.8221 -2.8221 -1.8533 -1.8533 -1.5938 -1.5938 0.5196 0.5196 1.3366 1.3366 1.8381 1.8381 2.4875 2.4875 k =-0.2000 0.1976 0.0000 ( 14676 PWs) bands (ev): -22.8864 -22.8864 -22.8840 -22.8840 -22.8566 -22.8566 -22.8545 -22.8545 -21.8578 -21.8578 -21.8553 -21.8553 -21.8330 -21.8330 -21.8286 -21.8286 -21.8188 -21.8188 -21.8126 -21.8126 -14.0937 -14.0937 -13.0690 -13.0690 -8.0024 -8.0024 -6.8124 -6.8124 -5.1213 -5.1213 -4.5950 -4.5950 -3.7698 -3.7698 -2.7690 -2.7690 -1.9009 -1.9009 -1.5966 -1.5966 0.5565 0.5565 1.3468 1.3468 1.7210 1.7210 2.5139 2.5139 k =-0.2091 0.2066 0.0000 ( 14668 PWs) bands (ev): -22.8864 -22.8864 -22.8839 -22.8839 -22.8565 -22.8565 -22.8544 -22.8544 -21.8578 -21.8578 -21.8553 -21.8553 -21.8327 -21.8327 -21.8286 -21.8286 -21.8188 -21.8188 -21.8126 -21.8126 -14.0566 -14.0566 -13.0628 -13.0628 -8.0187 -8.0187 -6.8747 -6.8747 -5.1747 -5.1747 -4.5509 -4.5509 -3.8166 -3.8166 -2.7275 -2.7275 -1.9691 -1.9691 -1.5957 -1.5957 0.5776 0.5776 1.3740 1.3740 1.6372 1.6372 2.5400 2.5400 k =-0.2182 0.2156 0.0000 ( 14652 PWs) bands (ev): -22.8864 -22.8864 -22.8838 -22.8838 -22.8564 -22.8564 -22.8542 -22.8542 -21.8579 -21.8579 -21.8553 -21.8553 -21.8324 -21.8324 -21.8286 -21.8286 -21.8187 -21.8187 -21.8125 -21.8125 -14.0185 -14.0185 -13.0568 -13.0568 -8.0312 -8.0312 -6.9344 -6.9344 -5.2280 -5.2280 -4.5057 -4.5057 -3.8634 -3.8634 -2.6979 -2.6979 -2.0557 -2.0557 -1.5929 -1.5929 0.5775 0.5775 1.4125 1.4125 1.5974 1.5974 2.5655 2.5655 k =-0.2273 0.2245 0.0000 ( 14650 PWs) bands (ev): -22.8864 -22.8864 -22.8838 -22.8838 -22.8563 -22.8563 -22.8541 -22.8541 -21.8580 -21.8580 -21.8553 -21.8553 -21.8321 -21.8321 -21.8285 -21.8285 -21.8186 -21.8186 -21.8125 -21.8125 -13.9793 -13.9793 -13.0511 -13.0511 -8.0397 -8.0397 -6.9911 -6.9911 -5.2810 -5.2810 -4.4598 -4.4598 -3.9102 -3.9102 -2.6801 -2.6801 -2.1576 -2.1576 -1.5910 -1.5910 0.5553 0.5553 1.4577 1.4577 1.6066 1.6066 2.5904 2.5904 k =-0.2364 0.2335 0.0000 ( 14660 PWs) bands (ev): -22.8864 -22.8864 -22.8837 -22.8837 -22.8562 -22.8562 -22.8540 -22.8540 -21.8581 -21.8581 -21.8553 -21.8553 -21.8319 -21.8319 -21.8284 -21.8284 -21.8185 -21.8185 -21.8124 -21.8124 -13.9393 -13.9393 -13.0457 -13.0457 -8.0443 -8.0443 -7.0449 -7.0449 -5.3336 -5.3336 -4.4134 -4.4134 -3.9568 -3.9568 -2.6734 -2.6734 -2.2720 -2.2720 -1.5936 -1.5936 0.5170 0.5170 1.5121 1.5121 1.6553 1.6553 2.6155 2.6155 k =-0.2455 0.2425 0.0000 ( 14650 PWs) bands (ev): -22.8864 -22.8864 -22.8837 -22.8837 -22.8562 -22.8562 -22.8539 -22.8539 -21.8582 -21.8582 -21.8553 -21.8553 -21.8317 -21.8317 -21.8283 -21.8283 -21.8184 -21.8184 -21.8123 -21.8123 -13.8984 -13.8984 -13.0406 -13.0406 -8.0447 -8.0447 -7.0955 -7.0955 -5.3854 -5.3854 -4.3670 -4.3670 -4.0029 -4.0029 -2.6769 -2.6769 -2.3957 -2.3957 -1.6045 -1.6045 0.4731 0.4731 1.5809 1.5809 1.7261 1.7261 2.6417 2.6417 k =-0.2545 0.2515 0.0000 ( 14654 PWs) bands (ev): -22.8864 -22.8864 -22.8837 -22.8837 -22.8561 -22.8561 -22.8538 -22.8538 -21.8583 -21.8583 -21.8554 -21.8554 -21.8316 -21.8316 -21.8282 -21.8282 -21.8183 -21.8183 -21.8122 -21.8122 -13.8569 -13.8569 -13.0359 -13.0359 -8.0409 -8.0409 -7.1430 -7.1430 -5.4366 -5.4366 -4.3211 -4.3211 -4.0485 -4.0485 -2.6895 -2.6895 -2.5259 -2.5259 -1.6274 -1.6274 0.4338 0.4338 1.6641 1.6641 1.8067 1.8067 2.6711 2.6711 k =-0.2636 0.2605 0.0000 ( 14650 PWs) bands (ev): -22.8864 -22.8864 -22.8836 -22.8836 -22.8561 -22.8561 -22.8537 -22.8537 -21.8584 -21.8584 -21.8555 -21.8555 -21.8315 -21.8315 -21.8280 -21.8280 -21.8182 -21.8182 -21.8121 -21.8121 -13.8148 -13.8148 -13.0315 -13.0315 -8.0329 -8.0329 -7.1872 -7.1872 -5.4868 -5.4868 -4.2767 -4.2767 -4.0932 -4.0932 -2.7124 -2.7124 -2.6579 -2.6579 -1.6649 -1.6649 0.4069 0.4069 1.7588 1.7588 1.8890 1.8890 2.7061 2.7061 k =-0.2727 0.2694 0.0000 ( 14656 PWs) bands (ev): -22.8864 -22.8864 -22.8836 -22.8836 -22.8560 -22.8560 -22.8536 -22.8536 -21.8586 -21.8586 -21.8556 -21.8556 -21.8314 -21.8314 -21.8278 -21.8278 -21.8181 -21.8181 -21.8120 -21.8120 -13.7723 -13.7723 -13.0275 -13.0275 -8.0205 -8.0205 -7.2281 -7.2281 -5.5359 -5.5359 -4.2355 -4.2355 -4.1362 -4.1362 -2.8016 -2.8016 -2.7322 -2.7322 -1.7179 -1.7179 0.3968 0.3968 1.8606 1.8606 1.9678 1.9678 2.7497 2.7497 k =-0.2818 0.2784 0.0000 ( 14660 PWs) bands (ev): -22.8864 -22.8864 -22.8836 -22.8836 -22.8560 -22.8560 -22.8535 -22.8535 -21.8587 -21.8587 -21.8557 -21.8557 -21.8314 -21.8314 -21.8275 -21.8275 -21.8179 -21.8179 -21.8119 -21.8119 -13.7294 -13.7294 -13.0239 -13.0239 -8.0039 -8.0039 -7.2656 -7.2656 -5.5839 -5.5839 -4.2062 -4.2062 -4.1701 -4.1701 -2.9348 -2.9348 -2.7678 -2.7678 -1.7858 -1.7858 0.4049 0.4049 1.9630 1.9630 2.0423 2.0423 2.8045 2.8045 k =-0.2909 0.2874 0.0000 ( 14648 PWs) bands (ev): -22.8865 -22.8865 -22.8836 -22.8836 -22.8559 -22.8559 -22.8534 -22.8534 -21.8589 -21.8589 -21.8558 -21.8558 -21.8314 -21.8314 -21.8272 -21.8272 -21.8178 -21.8178 -21.8117 -21.8117 -13.6864 -13.6864 -13.0208 -13.0208 -7.9831 -7.9831 -7.2995 -7.2995 -5.6307 -5.6307 -4.2299 -4.2299 -4.1562 -4.1562 -3.0647 -3.0647 -2.8084 -2.8084 -1.8661 -1.8661 0.4307 0.4307 2.0466 2.0466 2.1264 2.1264 2.8717 2.8717 k =-0.3000 0.2964 0.0000 ( 14632 PWs) bands (ev): -22.8865 -22.8865 -22.8836 -22.8836 -22.8559 -22.8559 -22.8533 -22.8533 -21.8591 -21.8591 -21.8560 -21.8560 -21.8314 -21.8314 -21.8269 -21.8269 -21.8177 -21.8177 -21.8116 -21.8116 -13.6433 -13.6433 -13.0180 -13.0180 -7.9580 -7.9580 -7.3300 -7.3300 -5.6760 -5.6760 -4.2696 -4.2696 -4.1349 -4.1349 -3.1857 -3.1857 -2.8557 -2.8557 -1.9556 -1.9556 0.4725 0.4725 2.0960 2.0960 2.2331 2.2331 2.9502 2.9502 k =-0.3091 0.3054 0.0000 ( 14630 PWs) bands (ev): -22.8865 -22.8865 -22.8836 -22.8836 -22.8558 -22.8558 -22.8532 -22.8532 -21.8593 -21.8593 -21.8562 -21.8562 -21.8315 -21.8315 -21.8266 -21.8266 -21.8175 -21.8175 -21.8114 -21.8114 -13.6004 -13.6004 -13.0156 -13.0156 -7.9287 -7.9287 -7.3568 -7.3568 -5.7200 -5.7200 -4.3095 -4.3095 -4.1273 -4.1273 -3.2915 -3.2915 -2.9102 -2.9102 -2.0503 -2.0503 0.5279 0.5279 2.1234 2.1234 2.3498 2.3498 3.0362 3.0362 k =-0.3182 0.3144 0.0000 ( 14610 PWs) bands (ev): -22.8865 -22.8865 -22.8836 -22.8836 -22.8558 -22.8558 -22.8531 -22.8531 -21.8595 -21.8595 -21.8564 -21.8564 -21.8316 -21.8316 -21.8263 -21.8263 -21.8174 -21.8174 -21.8113 -21.8113 -13.5577 -13.5577 -13.0136 -13.0136 -7.8953 -7.8953 -7.3800 -7.3800 -5.7624 -5.7624 -4.3488 -4.3488 -4.1409 -4.1409 -3.3750 -3.3750 -2.9730 -2.9730 -2.1459 -2.1459 0.5945 0.5945 2.1371 2.1371 2.4689 2.4689 3.1243 3.1243 k =-0.3273 0.3233 0.0000 ( 14616 PWs) bands (ev): -22.8866 -22.8866 -22.8836 -22.8836 -22.8558 -22.8558 -22.8530 -22.8530 -21.8597 -21.8597 -21.8566 -21.8566 -21.8316 -21.8316 -21.8260 -21.8260 -21.8172 -21.8172 -21.8111 -21.8111 -13.5155 -13.5155 -13.0120 -13.0120 -7.8579 -7.8579 -7.3995 -7.3995 -5.8031 -5.8031 -4.3872 -4.3872 -4.1813 -4.1813 -3.4301 -3.4301 -3.0449 -3.0449 -2.2389 -2.2389 0.6701 0.6701 2.1414 2.1414 2.5871 2.5871 3.2066 3.2066 k =-0.3364 0.3323 0.0000 ( 14604 PWs) bands (ev): -22.8866 -22.8866 -22.8836 -22.8836 -22.8558 -22.8558 -22.8529 -22.8529 -21.8600 -21.8600 -21.8568 -21.8568 -21.8317 -21.8317 -21.8256 -21.8256 -21.8171 -21.8171 -21.8109 -21.8109 -13.4739 -13.4739 -13.0107 -13.0107 -7.8167 -7.8167 -7.4153 -7.4153 -5.8422 -5.8422 -4.4250 -4.4250 -4.2488 -4.2488 -3.4563 -3.4563 -3.1264 -3.1264 -2.3261 -2.3261 0.7529 0.7529 2.1389 2.1389 2.7022 2.7022 3.2727 3.2727 k =-0.3455 0.3413 0.0000 ( 14592 PWs) bands (ev): -22.8866 -22.8866 -22.8837 -22.8837 -22.8557 -22.8557 -22.8528 -22.8528 -21.8602 -21.8602 -21.8570 -21.8570 -21.8318 -21.8318 -21.8253 -21.8253 -21.8170 -21.8170 -21.8108 -21.8108 -13.4332 -13.4332 -13.0097 -13.0097 -7.7719 -7.7719 -7.4274 -7.4274 -5.8796 -5.8796 -4.4636 -4.4636 -4.3365 -4.3365 -3.4596 -3.4596 -3.2166 -3.2166 -2.4053 -2.4053 0.8412 0.8412 2.1318 2.1318 2.8118 2.8118 3.3138 3.3138 k =-0.3545 0.3503 0.0000 ( 14596 PWs) bands (ev): -22.8867 -22.8867 -22.8837 -22.8837 -22.8557 -22.8557 -22.8527 -22.8527 -21.8604 -21.8604 -21.8572 -21.8572 -21.8318 -21.8318 -21.8250 -21.8250 -21.8168 -21.8168 -21.8106 -21.8106 -13.3934 -13.3934 -13.0090 -13.0090 -7.7235 -7.7235 -7.4358 -7.4358 -5.9151 -5.9151 -4.5098 -4.5098 -4.4297 -4.4297 -3.4516 -3.4516 -3.3106 -3.3106 -2.4756 -2.4756 0.9337 0.9337 2.1215 2.1215 2.9132 2.9132 3.3075 3.3075 k =-0.3636 0.3593 0.0000 ( 14600 PWs) bands (ev): -22.8867 -22.8867 -22.8837 -22.8837 -22.8557 -22.8557 -22.8526 -22.8526 -21.8606 -21.8606 -21.8575 -21.8575 -21.8319 -21.8319 -21.8247 -21.8247 -21.8167 -21.8167 -21.8104 -21.8104 -13.3548 -13.3548 -13.0086 -13.0086 -7.6720 -7.6720 -7.4406 -7.4406 -5.9487 -5.9487 -4.5887 -4.5887 -4.4970 -4.4970 -3.4720 -3.4720 -3.3732 -3.3732 -2.5371 -2.5371 1.0293 1.0293 2.1092 2.1092 3.0029 3.0029 3.2859 3.2859 k =-0.3727 0.3682 0.0000 ( 14596 PWs) bands (ev): -22.8867 -22.8867 -22.8838 -22.8838 -22.8557 -22.8557 -22.8525 -22.8525 -21.8609 -21.8609 -21.8577 -21.8577 -21.8319 -21.8319 -21.8244 -21.8244 -21.8166 -21.8166 -21.8103 -21.8103 -13.3175 -13.3175 -13.0084 -13.0084 -7.6176 -7.6176 -7.4418 -7.4418 -5.9804 -5.9804 -4.6975 -4.6975 -4.5365 -4.5365 -3.5662 -3.5662 -3.3616 -3.3616 -2.5905 -2.5905 1.1271 1.1271 2.0957 2.0957 3.0758 3.0758 3.2687 3.2687 k =-0.3818 0.3772 0.0000 ( 14592 PWs) bands (ev): -22.8868 -22.8868 -22.8838 -22.8838 -22.8557 -22.8557 -22.8525 -22.8525 -21.8611 -21.8611 -21.8580 -21.8580 -21.8320 -21.8320 -21.8241 -21.8241 -21.8165 -21.8165 -21.8101 -21.8101 -13.2818 -13.2818 -13.0084 -13.0084 -7.5606 -7.5606 -7.4395 -7.4395 -6.0101 -6.0101 -4.8135 -4.8135 -4.5676 -4.5676 -3.6814 -3.6814 -3.3293 -3.3293 -2.6368 -2.6368 1.2261 1.2261 2.0817 2.0817 3.1237 3.1237 3.2628 3.2628 k =-0.3909 0.3862 0.0000 ( 14584 PWs) bands (ev): -22.8868 -22.8868 -22.8839 -22.8839 -22.8557 -22.8557 -22.8524 -22.8524 -21.8613 -21.8613 -21.8582 -21.8582 -21.8320 -21.8320 -21.8239 -21.8239 -21.8164 -21.8164 -21.8099 -21.8099 -13.2479 -13.2479 -13.0086 -13.0086 -7.5016 -7.5016 -7.4339 -7.4339 -6.0378 -6.0378 -4.9299 -4.9299 -4.5951 -4.5951 -3.8014 -3.8014 -3.2925 -3.2925 -2.6770 -2.6770 1.3256 1.3256 2.0678 2.0678 3.1405 3.1405 3.2738 3.2738 k =-0.4000 0.3952 0.0000 ( 14576 PWs) bands (ev): -22.8868 -22.8868 -22.8839 -22.8839 -22.8557 -22.8557 -22.8523 -22.8523 -21.8615 -21.8615 -21.8584 -21.8584 -21.8321 -21.8321 -21.8236 -21.8236 -21.8163 -21.8163 -21.8098 -21.8098 -13.2158 -13.2158 -13.0089 -13.0089 -7.4414 -7.4414 -7.4247 -7.4247 -6.0634 -6.0634 -5.0439 -5.0439 -4.6200 -4.6200 -3.9222 -3.9222 -3.2546 -3.2546 -2.7120 -2.7120 1.4247 1.4247 2.0544 2.0544 3.1356 3.1356 3.2932 3.2932 k =-0.4091 0.4042 0.0000 ( 14570 PWs) bands (ev): -22.8869 -22.8869 -22.8840 -22.8840 -22.8557 -22.8557 -22.8523 -22.8523 -21.8617 -21.8617 -21.8586 -21.8586 -21.8321 -21.8321 -21.8234 -21.8234 -21.8162 -21.8162 -21.8097 -21.8097 -13.1859 -13.1859 -13.0093 -13.0093 -7.4144 -7.4144 -7.3788 -7.3788 -6.0869 -6.0869 -5.1539 -5.1539 -4.6427 -4.6427 -4.0415 -4.0415 -3.2171 -3.2171 -2.7424 -2.7424 1.5224 1.5224 2.0420 2.0420 3.1224 3.1224 3.3104 3.3104 k =-0.4182 0.4132 0.0000 ( 14564 PWs) bands (ev): -22.8869 -22.8869 -22.8840 -22.8840 -22.8557 -22.8557 -22.8522 -22.8522 -21.8618 -21.8618 -21.8588 -21.8588 -21.8322 -21.8322 -21.8232 -21.8232 -21.8161 -21.8161 -21.8095 -21.8095 -13.1582 -13.1582 -13.0098 -13.0098 -7.4004 -7.4004 -7.3171 -7.3171 -6.1083 -6.1083 -5.2587 -5.2587 -4.6632 -4.6632 -4.1575 -4.1575 -3.1809 -3.1809 -2.7690 -2.7690 1.6176 1.6176 2.0311 2.0311 3.1070 3.1070 3.3222 3.3222 k =-0.4273 0.4221 0.0000 ( 14562 PWs) bands (ev): -22.8869 -22.8869 -22.8840 -22.8840 -22.8557 -22.8557 -22.8522 -22.8522 -21.8620 -21.8620 -21.8590 -21.8590 -21.8322 -21.8322 -21.8230 -21.8230 -21.8160 -21.8160 -21.8094 -21.8094 -13.1329 -13.1329 -13.0103 -13.0103 -7.3846 -7.3846 -7.2559 -7.2559 -6.1275 -6.1275 -5.3571 -5.3571 -4.6815 -4.6815 -4.2685 -4.2685 -3.1469 -3.1469 -2.7920 -2.7920 1.7088 1.7088 2.0224 2.0224 3.0916 3.0916 3.3282 3.3282 k =-0.4364 0.4311 0.0000 ( 14550 PWs) bands (ev): -22.8869 -22.8869 -22.8841 -22.8841 -22.8557 -22.8557 -22.8522 -22.8522 -21.8621 -21.8621 -21.8592 -21.8592 -21.8322 -21.8322 -21.8228 -21.8228 -21.8160 -21.8160 -21.8093 -21.8093 -13.1103 -13.1103 -13.0108 -13.0108 -7.3675 -7.3675 -7.1965 -7.1965 -6.1446 -6.1446 -5.4480 -5.4480 -4.6979 -4.6979 -4.3728 -4.3728 -3.1157 -3.1157 -2.8117 -2.8117 1.7933 1.7933 2.0175 2.0175 3.0771 3.0771 3.3286 3.3286 k =-0.4455 0.4401 0.0000 ( 14544 PWs) bands (ev): -22.8869 -22.8869 -22.8841 -22.8841 -22.8557 -22.8557 -22.8521 -22.8521 -21.8623 -21.8623 -21.8594 -21.8594 -21.8322 -21.8322 -21.8227 -21.8227 -21.8159 -21.8159 -21.8092 -21.8092 -13.0903 -13.0903 -13.0113 -13.0113 -7.3498 -7.3498 -7.1400 -7.1400 -6.1594 -6.1594 -5.5304 -5.5304 -4.7122 -4.7122 -4.4687 -4.4687 -3.0876 -3.0876 -2.8285 -2.8285 1.8662 1.8662 2.0201 2.0201 3.0641 3.0641 3.3238 3.3238 k =-0.4545 0.4491 0.0000 ( 14558 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8521 -22.8521 -21.8624 -21.8624 -21.8595 -21.8595 -21.8323 -21.8323 -21.8225 -21.8225 -21.8159 -21.8159 -21.8091 -21.8091 -13.0732 -13.0732 -13.0118 -13.0118 -7.3324 -7.3324 -7.0880 -7.0880 -6.1720 -6.1720 -5.6031 -5.6031 -4.7245 -4.7245 -4.5544 -4.5544 -3.0632 -3.0632 -2.8424 -2.8424 1.9169 1.9169 2.0391 2.0391 3.0528 3.0528 3.3149 3.3149 k =-0.4636 0.4581 0.0000 ( 14558 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8521 -22.8521 -21.8625 -21.8625 -21.8596 -21.8596 -21.8323 -21.8323 -21.8224 -21.8224 -21.8158 -21.8158 -21.8090 -21.8090 -13.0591 -13.0591 -13.0122 -13.0122 -7.3161 -7.3161 -7.0420 -7.0420 -6.1823 -6.1823 -5.6648 -5.6648 -4.7350 -4.7350 -4.6277 -4.6277 -3.0427 -3.0427 -2.8537 -2.8537 1.9395 1.9395 2.0784 2.0784 3.0433 3.0433 3.3042 3.3042 k =-0.4727 0.4670 0.0000 ( 14574 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8625 -21.8625 -21.8597 -21.8597 -21.8323 -21.8323 -21.8224 -21.8224 -21.8158 -21.8158 -21.8090 -21.8090 -13.0480 -13.0480 -13.0125 -13.0125 -7.3020 -7.3020 -7.0038 -7.0038 -6.1904 -6.1904 -5.7145 -5.7145 -4.7447 -4.7447 -4.6859 -4.6859 -3.0265 -3.0265 -2.8623 -2.8623 1.9462 1.9462 2.1237 2.1237 3.0357 3.0357 3.2939 3.2939 k =-0.4818 0.4760 0.0000 ( 14578 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8223 -21.8223 -21.8158 -21.8158 -21.8089 -21.8089 -13.0401 -13.0401 -13.0127 -13.0127 -7.2911 -7.2911 -6.9750 -6.9750 -6.1961 -6.1961 -5.7509 -5.7509 -4.7564 -4.7564 -4.7242 -4.7242 -3.0148 -3.0148 -2.8685 -2.8685 1.9477 1.9477 2.1617 2.1617 3.0303 3.0303 3.2858 3.2858 k =-0.4909 0.4850 0.0000 ( 14568 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8223 -21.8223 -21.8157 -21.8157 -21.8089 -21.8089 -13.0353 -13.0353 -13.0128 -13.0128 -7.2841 -7.2841 -6.9571 -6.9571 -6.1996 -6.1996 -5.7732 -5.7732 -4.7721 -4.7721 -4.7393 -4.7393 -3.0077 -3.0077 -2.8721 -2.8721 1.9478 1.9478 2.1864 2.1864 3.0270 3.0270 3.2810 3.2810 k =-0.5000 0.4940 0.0000 ( 14568 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2007 -6.2007 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2793 3.2793 k =-0.5000 0.4940 0.0000 ( 14568 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2007 -6.2007 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2793 3.2793 k =-0.4940 0.5000-0.0000 ( 14558 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000-0.0000 ( 14558 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000 0.0123 ( 14565 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000 0.0245 ( 14560 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000 0.0368 ( 14559 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000 0.0490 ( 14547 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000 0.0613 ( 14548 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000 0.0735 ( 14543 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000 0.0858 ( 14544 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.4940 0.5000 0.0858 ( 14544 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8627 -21.8625 -21.8600 -21.8597 -21.8324 -21.8322 -21.8223 -21.8222 -21.8158 -21.8157 -21.8090 -21.8088 -13.0337 -13.0336 -13.0136 -13.0134 -7.2838 -7.2827 -6.9546 -6.9546 -6.1960 -6.1940 -5.7857 -5.7796 -4.7786 -4.7771 -4.7401 -4.7357 -3.0049 -3.0048 -2.8744 -2.8742 1.9413 1.9493 2.1913 2.1979 3.0244 3.0314 3.2593 3.2896 k =-0.5000 0.4940 0.0858 ( 14528 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2007 -6.2007 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2794 3.2794 k =-0.5000 0.4940 0.0858 ( 14528 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2007 -6.2007 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2794 3.2794 k =-0.5000 0.4940 0.0735 ( 14542 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2008 -6.2008 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2794 3.2794 k =-0.5000 0.4940 0.0613 ( 14542 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2007 -6.2007 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2794 3.2794 k =-0.5000 0.4940 0.0490 ( 14548 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2008 -6.2008 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2794 3.2794 k =-0.5000 0.4940 0.0368 ( 14552 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2008 -6.2008 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2794 3.2794 k =-0.5000 0.4940 0.0245 ( 14564 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2008 -6.2008 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2793 3.2793 k =-0.5000 0.4940 0.0123 ( 14566 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2007 -6.2007 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2793 3.2793 k =-0.5000 0.4940 0.0000 ( 14568 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2007 -6.2007 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2793 3.2793 k = 0.0000 0.0000 0.0858 ( 14670 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8379 -21.8379 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5223 -14.5223 -13.1710 -13.1710 -7.3410 -7.3410 -5.4337 -5.4337 -5.0969 -5.0969 -4.3662 -4.3662 -4.2295 -4.2295 -3.1715 -3.1715 -3.0442 -3.0442 -1.2572 -1.2572 -0.1849 -0.1849 2.0029 2.0029 2.4387 2.4387 2.6166 2.6166 k =-0.0091 0.0090 0.0858 ( 14654 PWs) bands (ev): -22.8871 -22.8871 -22.8851 -22.8851 -22.8579 -22.8579 -22.8561 -22.8561 -21.8582 -21.8582 -21.8572 -21.8572 -21.8378 -21.8378 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5213 -14.5213 -13.1707 -13.1707 -7.3442 -7.3442 -5.4397 -5.4397 -5.0965 -5.0965 -4.3662 -4.3662 -4.2260 -4.2260 -3.1690 -3.1690 -3.0400 -3.0400 -1.2585 -1.2585 -0.1832 -0.1832 2.0038 2.0038 2.4402 2.4402 2.6197 2.6197 k =-0.0182 0.0180 0.0858 ( 14658 PWs) bands (ev): -22.8871 -22.8871 -22.8850 -22.8850 -22.8578 -22.8578 -22.8561 -22.8561 -21.8582 -21.8582 -21.8571 -21.8571 -21.8378 -21.8378 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5185 -14.5185 -13.1699 -13.1699 -7.3537 -7.3537 -5.4578 -5.4578 -5.0951 -5.0951 -4.3672 -4.3672 -4.2146 -4.2146 -3.1637 -3.1637 -3.0256 -3.0256 -1.2626 -1.2626 -0.1779 -0.1779 2.0064 2.0064 2.4446 2.4446 2.6290 2.6290 k =-0.0273 0.0269 0.0858 ( 14642 PWs) bands (ev): -22.8871 -22.8871 -22.8850 -22.8850 -22.8578 -22.8578 -22.8561 -22.8561 -21.8582 -21.8582 -21.8571 -21.8571 -21.8377 -21.8377 -21.8285 -21.8285 -21.8193 -21.8193 -21.8118 -21.8118 -14.5139 -14.5139 -13.1685 -13.1685 -7.3691 -7.3691 -5.4873 -5.4873 -5.0921 -5.0921 -4.3713 -4.3713 -4.1934 -4.1934 -3.1607 -3.1607 -2.9968 -2.9968 -1.2692 -1.2692 -0.1692 -0.1692 2.0107 2.0107 2.4519 2.4519 2.6443 2.6443 k =-0.0364 0.0359 0.0858 ( 14640 PWs) bands (ev): -22.8871 -22.8871 -22.8850 -22.8850 -22.8578 -22.8578 -22.8560 -22.8560 -21.8582 -21.8582 -21.8571 -21.8571 -21.8377 -21.8377 -21.8284 -21.8284 -21.8193 -21.8193 -21.8118 -21.8118 -14.5073 -14.5073 -13.1665 -13.1665 -7.3902 -7.3902 -5.5276 -5.5276 -5.0871 -5.0871 -4.3804 -4.3804 -4.1610 -4.1610 -3.1635 -3.1635 -2.9515 -2.9515 -1.2785 -1.2785 -0.1570 -0.1570 2.0165 2.0165 2.4621 2.4621 2.6655 2.6655 k =-0.0455 0.0449 0.0858 ( 14638 PWs) bands (ev): -22.8870 -22.8870 -22.8850 -22.8850 -22.8578 -22.8578 -22.8560 -22.8560 -21.8581 -21.8581 -21.8570 -21.8570 -21.8376 -21.8376 -21.8284 -21.8284 -21.8193 -21.8193 -21.8119 -21.8119 -14.4989 -14.4989 -13.1640 -13.1640 -7.4162 -7.4162 -5.5774 -5.5774 -5.0797 -5.0797 -4.3949 -4.3949 -4.1174 -4.1174 -3.1726 -3.1726 -2.8911 -2.8911 -1.2902 -1.2902 -0.1412 -0.1412 2.0235 2.0235 2.4751 2.4751 2.6922 2.6922 k =-0.0545 0.0539 0.0858 ( 14630 PWs) bands (ev): -22.8870 -22.8870 -22.8849 -22.8849 -22.8577 -22.8577 -22.8560 -22.8560 -21.8581 -21.8581 -21.8569 -21.8569 -21.8374 -21.8374 -21.8284 -21.8284 -21.8193 -21.8193 -21.8119 -21.8119 -14.4887 -14.4887 -13.1609 -13.1609 -7.4466 -7.4466 -5.6353 -5.6353 -5.0697 -5.0697 -4.4146 -4.4146 -4.0636 -4.0636 -3.1868 -3.1868 -2.8185 -2.8185 -1.3043 -1.3043 -0.1219 -0.1219 2.0314 2.0314 2.4911 2.4911 2.7241 2.7241 k =-0.0636 0.0629 0.0858 ( 14656 PWs) bands (ev): -22.8870 -22.8870 -22.8849 -22.8849 -22.8577 -22.8577 -22.8559 -22.8559 -21.8581 -21.8581 -21.8568 -21.8568 -21.8373 -21.8373 -21.8284 -21.8284 -21.8193 -21.8193 -21.8120 -21.8120 -14.4767 -14.4767 -13.1574 -13.1574 -7.4805 -7.4805 -5.6997 -5.6997 -5.0571 -5.0571 -4.4389 -4.4389 -4.0007 -4.0007 -3.2055 -3.2055 -2.7364 -2.7364 -1.3206 -1.3206 -0.0990 -0.0990 2.0394 2.0394 2.5097 2.5097 2.7599 2.7599 k =-0.0727 0.0719 0.0858 ( 14662 PWs) bands (ev): -22.8869 -22.8869 -22.8849 -22.8849 -22.8576 -22.8576 -22.8558 -22.8558 -21.8580 -21.8580 -21.8567 -21.8567 -21.8371 -21.8371 -21.8284 -21.8284 -21.8193 -21.8193 -21.8120 -21.8120 -14.4628 -14.4628 -13.1534 -13.1534 -7.5173 -7.5173 -5.7693 -5.7693 -5.0418 -5.0418 -4.4674 -4.4674 -3.9299 -3.9299 -3.2277 -3.2277 -2.6473 -2.6473 -1.3389 -1.3389 -0.0726 -0.0726 2.0463 2.0463 2.5306 2.5306 2.7743 2.7743 k =-0.0818 0.0808 0.0858 ( 14662 PWs) bands (ev): -22.8869 -22.8869 -22.8848 -22.8848 -22.8576 -22.8576 -22.8558 -22.8558 -21.8580 -21.8580 -21.8566 -21.8566 -21.8369 -21.8369 -21.8284 -21.8284 -21.8192 -21.8192 -21.8121 -21.8121 -14.4471 -14.4471 -13.1489 -13.1489 -7.5562 -7.5562 -5.8426 -5.8426 -5.0241 -5.0241 -4.4996 -4.4996 -3.8525 -3.8525 -3.2533 -3.2533 -2.5533 -2.5533 -1.3590 -1.3590 -0.0427 -0.0427 2.0499 2.0499 2.5517 2.5517 2.6750 2.6750 k =-0.0909 0.0898 0.0858 ( 14666 PWs) bands (ev): -22.8869 -22.8869 -22.8848 -22.8848 -22.8575 -22.8575 -22.8557 -22.8557 -21.8579 -21.8579 -21.8565 -21.8565 -21.8367 -21.8367 -21.8284 -21.8284 -21.8192 -21.8192 -21.8122 -21.8122 -14.4296 -14.4296 -13.1441 -13.1441 -7.5966 -7.5966 -5.9187 -5.9187 -5.0040 -5.0040 -4.5352 -4.5352 -3.7695 -3.7695 -3.2818 -3.2818 -2.4564 -2.4564 -1.3806 -1.3806 -0.0092 -0.0092 2.0455 2.0455 2.5373 2.5373 2.6042 2.6042 k =-0.1000 0.0988 0.0858 ( 14668 PWs) bands (ev): -22.8868 -22.8868 -22.8847 -22.8847 -22.8575 -22.8575 -22.8556 -22.8556 -21.8579 -21.8579 -21.8564 -21.8564 -21.8364 -21.8364 -21.8284 -21.8284 -21.8192 -21.8192 -21.8122 -21.8122 -14.4104 -14.4104 -13.1388 -13.1388 -7.6377 -7.6377 -5.9965 -5.9965 -4.9816 -4.9816 -4.5736 -4.5736 -3.6820 -3.6820 -3.3129 -3.3129 -2.3588 -2.3588 -1.4033 -1.4033 0.0277 0.0277 2.0250 2.0250 2.4488 2.4488 2.6228 2.6228 k =-0.1091 0.1078 0.0858 ( 14672 PWs) bands (ev): -22.8868 -22.8868 -22.8846 -22.8846 -22.8574 -22.8574 -22.8555 -22.8555 -21.8578 -21.8578 -21.8563 -21.8563 -21.8362 -21.8362 -21.8284 -21.8284 -21.8192 -21.8192 -21.8123 -21.8123 -14.3895 -14.3895 -13.1333 -13.1333 -7.6790 -7.6790 -6.0753 -6.0753 -4.9571 -4.9571 -4.6146 -4.6146 -3.5911 -3.5911 -3.3464 -3.3464 -2.2623 -2.2623 -1.4269 -1.4269 0.0680 0.0680 1.9770 1.9770 2.3780 2.3780 2.6545 2.6545 k =-0.1182 0.1168 0.0858 ( 14688 PWs) bands (ev): -22.8867 -22.8867 -22.8846 -22.8846 -22.8573 -22.8573 -22.8554 -22.8554 -21.8578 -21.8578 -21.8562 -21.8562 -21.8359 -21.8359 -21.8284 -21.8284 -21.8192 -21.8192 -21.8124 -21.8124 -14.3669 -14.3669 -13.1274 -13.1274 -7.7200 -7.7200 -6.1544 -6.1544 -4.9306 -4.9306 -4.6578 -4.6578 -3.4981 -3.4981 -3.3819 -3.3819 -2.1692 -2.1692 -1.4510 -1.4510 0.1115 0.1115 1.8981 1.8981 2.3411 2.3411 2.6903 2.6903 k =-0.1273 0.1257 0.0858 ( 14694 PWs) bands (ev): -22.8867 -22.8867 -22.8845 -22.8845 -22.8572 -22.8572 -22.8553 -22.8553 -21.8578 -21.8578 -21.8560 -21.8560 -21.8356 -21.8356 -21.8284 -21.8284 -21.8191 -21.8191 -21.8124 -21.8124 -14.3426 -14.3426 -13.1213 -13.1213 -7.7600 -7.7600 -6.2333 -6.2333 -4.9026 -4.9026 -4.7025 -4.7025 -3.4232 -3.4232 -3.4001 -3.4001 -2.0817 -2.0817 -1.4750 -1.4750 0.1581 0.1581 1.7991 1.7991 2.3308 2.3308 2.7289 2.7289 k =-0.1364 0.1347 0.0858 ( 14680 PWs) bands (ev): -22.8867 -22.8867 -22.8844 -22.8844 -22.8572 -22.8572 -22.8552 -22.8552 -21.8577 -21.8577 -21.8559 -21.8559 -21.8353 -21.8353 -21.8284 -21.8284 -21.8191 -21.8191 -21.8125 -21.8125 -14.3167 -14.3167 -13.1149 -13.1149 -7.7987 -7.7987 -6.3114 -6.3114 -4.8742 -4.8742 -4.7473 -4.7473 -3.4601 -3.4601 -3.3083 -3.3083 -2.0026 -2.0026 -1.4984 -1.4984 0.2074 0.2074 1.6944 1.6944 2.3356 2.3356 2.7662 2.7662 k =-0.1455 0.1437 0.0858 ( 14698 PWs) bands (ev): -22.8866 -22.8866 -22.8844 -22.8844 -22.8571 -22.8571 -22.8551 -22.8551 -21.8577 -21.8577 -21.8558 -21.8558 -21.8350 -21.8350 -21.8285 -21.8285 -21.8191 -21.8191 -21.8125 -21.8125 -14.2892 -14.2892 -13.1084 -13.1084 -7.8357 -7.8357 -6.3884 -6.3884 -4.8522 -4.8522 -4.7854 -4.7854 -3.5010 -3.5010 -3.2154 -3.2154 -1.9345 -1.9345 -1.5208 -1.5208 0.2591 0.2591 1.5941 1.5941 2.3465 2.3465 2.6790 2.6790 k =-0.1545 0.1527 0.0858 ( 14680 PWs) bands (ev): -22.8866 -22.8866 -22.8843 -22.8843 -22.8570 -22.8570 -22.8550 -22.8550 -21.8577 -21.8577 -21.8557 -21.8557 -21.8347 -21.8347 -21.8285 -21.8285 -21.8190 -21.8190 -21.8126 -21.8126 -14.2601 -14.2601 -13.1019 -13.1019 -7.8705 -7.8705 -6.4641 -6.4641 -4.8679 -4.8679 -4.7851 -4.7851 -3.5435 -3.5435 -3.1251 -3.1251 -1.8803 -1.8803 -1.5414 -1.5414 0.3125 0.3125 1.5051 1.5051 2.3497 2.3497 2.5222 2.5222 k =-0.1636 0.1617 0.0858 ( 14692 PWs) bands (ev): -22.8865 -22.8865 -22.8842 -22.8842 -22.8569 -22.8569 -22.8549 -22.8549 -21.8577 -21.8577 -21.8556 -21.8556 -21.8343 -21.8343 -21.8285 -21.8285 -21.8190 -21.8190 -21.8126 -21.8126 -14.2296 -14.2296 -13.0952 -13.0952 -7.9029 -7.9029 -6.5380 -6.5380 -4.9126 -4.9126 -4.7550 -4.7550 -3.5871 -3.5871 -3.0389 -3.0389 -1.8429 -1.8429 -1.5597 -1.5597 0.3669 0.3669 1.4322 1.4322 2.2796 2.2796 2.4415 2.4415 k =-0.1727 0.1707 0.0858 ( 14662 PWs) bands (ev): -22.8865 -22.8865 -22.8842 -22.8842 -22.8568 -22.8568 -22.8548 -22.8548 -21.8577 -21.8577 -21.8555 -21.8555 -21.8340 -21.8340 -21.8285 -21.8285 -21.8190 -21.8190 -21.8126 -21.8126 -14.1976 -14.1976 -13.0885 -13.0885 -7.9325 -7.9325 -6.6100 -6.6100 -4.9629 -4.9629 -4.7185 -4.7185 -3.6317 -3.6317 -2.9586 -2.9586 -1.8248 -1.8248 -1.5749 -1.5749 0.4210 0.4210 1.3788 1.3788 2.1309 2.1309 2.4468 2.4468 k =-0.1818 0.1796 0.0858 ( 14662 PWs) bands (ev): -22.8865 -22.8865 -22.8841 -22.8841 -22.8567 -22.8567 -22.8547 -22.8547 -21.8577 -21.8577 -21.8554 -21.8554 -21.8337 -21.8337 -21.8285 -21.8285 -21.8189 -21.8189 -21.8126 -21.8126 -14.1643 -14.1643 -13.0819 -13.0819 -7.9591 -7.9591 -6.6798 -6.6798 -5.0150 -5.0150 -4.6791 -4.6791 -3.6772 -3.6772 -2.8858 -2.8858 -1.8279 -1.8279 -1.5865 -1.5865 0.4729 0.4729 1.3468 1.3468 1.9779 1.9779 2.4681 2.4681 k =-0.1909 0.1886 0.0858 ( 14658 PWs) bands (ev): -22.8865 -22.8865 -22.8840 -22.8840 -22.8566 -22.8566 -22.8546 -22.8546 -21.8577 -21.8577 -21.8554 -21.8554 -21.8333 -21.8333 -21.8286 -21.8286 -21.8189 -21.8189 -21.8126 -21.8126 -14.1296 -14.1296 -13.0754 -13.0754 -7.9825 -7.9825 -6.7473 -6.7473 -5.0680 -5.0680 -4.6379 -4.6379 -3.7233 -3.7233 -2.8221 -2.8221 -1.8533 -1.8533 -1.5938 -1.5938 0.5196 0.5196 1.3366 1.3366 1.8381 1.8381 2.4926 2.4926 k =-0.2000 0.1976 0.0858 ( 14638 PWs) bands (ev): -22.8864 -22.8864 -22.8840 -22.8840 -22.8566 -22.8566 -22.8545 -22.8545 -21.8578 -21.8578 -21.8553 -21.8553 -21.8330 -21.8330 -21.8286 -21.8286 -21.8188 -21.8188 -21.8126 -21.8126 -14.0937 -14.0937 -13.0690 -13.0690 -8.0024 -8.0024 -6.8124 -6.8124 -5.1213 -5.1213 -4.5950 -4.5950 -3.7698 -3.7698 -2.7690 -2.7690 -1.9009 -1.9009 -1.5966 -1.5966 0.5565 0.5565 1.3468 1.3468 1.7210 1.7210 2.5179 2.5179 k =-0.2091 0.2066 0.0858 ( 14638 PWs) bands (ev): -22.8864 -22.8864 -22.8839 -22.8839 -22.8565 -22.8565 -22.8544 -22.8544 -21.8578 -21.8578 -21.8553 -21.8553 -21.8327 -21.8327 -21.8286 -21.8286 -21.8188 -21.8188 -21.8126 -21.8126 -14.0566 -14.0566 -13.0628 -13.0628 -8.0187 -8.0187 -6.8747 -6.8747 -5.1747 -5.1747 -4.5509 -4.5509 -3.8165 -3.8165 -2.7275 -2.7275 -1.9691 -1.9691 -1.5957 -1.5957 0.5776 0.5776 1.3740 1.3740 1.6372 1.6372 2.5431 2.5431 k =-0.2182 0.2156 0.0858 ( 14644 PWs) bands (ev): -22.8864 -22.8864 -22.8838 -22.8838 -22.8564 -22.8564 -22.8543 -22.8543 -21.8579 -21.8579 -21.8553 -21.8553 -21.8324 -21.8324 -21.8286 -21.8286 -21.8187 -21.8187 -21.8125 -21.8125 -14.0185 -14.0185 -13.0568 -13.0568 -8.0312 -8.0312 -6.9344 -6.9344 -5.2280 -5.2280 -4.5057 -4.5057 -3.8634 -3.8634 -2.6979 -2.6979 -2.0557 -2.0557 -1.5929 -1.5929 0.5775 0.5775 1.4125 1.4125 1.5974 1.5974 2.5678 2.5678 k =-0.2273 0.2245 0.0858 ( 14632 PWs) bands (ev): -22.8864 -22.8864 -22.8838 -22.8838 -22.8563 -22.8563 -22.8541 -22.8541 -21.8580 -21.8580 -21.8553 -21.8553 -21.8321 -21.8321 -21.8285 -21.8285 -21.8186 -21.8186 -21.8125 -21.8125 -13.9793 -13.9793 -13.0511 -13.0511 -8.0397 -8.0397 -6.9911 -6.9911 -5.2810 -5.2810 -4.4598 -4.4598 -3.9102 -3.9102 -2.6801 -2.6801 -2.1576 -2.1576 -1.5910 -1.5910 0.5553 0.5553 1.4577 1.4577 1.6066 1.6066 2.5922 2.5922 k =-0.2364 0.2335 0.0858 ( 14634 PWs) bands (ev): -22.8864 -22.8864 -22.8837 -22.8837 -22.8562 -22.8562 -22.8540 -22.8540 -21.8581 -21.8581 -21.8553 -21.8553 -21.8319 -21.8319 -21.8284 -21.8284 -21.8185 -21.8185 -21.8124 -21.8124 -13.9393 -13.9393 -13.0457 -13.0457 -8.0443 -8.0443 -7.0449 -7.0449 -5.3336 -5.3336 -4.4134 -4.4134 -3.9568 -3.9568 -2.6734 -2.6734 -2.2720 -2.2720 -1.5936 -1.5936 0.5170 0.5170 1.5121 1.5121 1.6552 1.6552 2.6167 2.6167 k =-0.2455 0.2425 0.0858 ( 14622 PWs) bands (ev): -22.8864 -22.8864 -22.8837 -22.8837 -22.8562 -22.8562 -22.8539 -22.8539 -21.8582 -21.8582 -21.8553 -21.8553 -21.8317 -21.8317 -21.8283 -21.8283 -21.8184 -21.8184 -21.8123 -21.8123 -13.8984 -13.8984 -13.0406 -13.0406 -8.0447 -8.0447 -7.0955 -7.0955 -5.3854 -5.3854 -4.3670 -4.3670 -4.0029 -4.0029 -2.6769 -2.6769 -2.3957 -2.3957 -1.6045 -1.6045 0.4731 0.4731 1.5809 1.5809 1.7261 1.7261 2.6426 2.6426 k =-0.2545 0.2515 0.0858 ( 14610 PWs) bands (ev): -22.8864 -22.8864 -22.8837 -22.8837 -22.8561 -22.8561 -22.8538 -22.8538 -21.8583 -21.8583 -21.8554 -21.8554 -21.8316 -21.8316 -21.8282 -21.8282 -21.8183 -21.8183 -21.8122 -21.8122 -13.8569 -13.8569 -13.0359 -13.0359 -8.0409 -8.0409 -7.1430 -7.1430 -5.4366 -5.4366 -4.3211 -4.3211 -4.0485 -4.0485 -2.6895 -2.6895 -2.5259 -2.5259 -1.6274 -1.6274 0.4338 0.4338 1.6641 1.6641 1.8067 1.8067 2.6717 2.6717 k =-0.2636 0.2605 0.0858 ( 14618 PWs) bands (ev): -22.8864 -22.8864 -22.8836 -22.8836 -22.8561 -22.8561 -22.8537 -22.8537 -21.8584 -21.8584 -21.8555 -21.8555 -21.8315 -21.8315 -21.8280 -21.8280 -21.8182 -21.8182 -21.8121 -21.8121 -13.8148 -13.8148 -13.0315 -13.0315 -8.0329 -8.0329 -7.1872 -7.1872 -5.4868 -5.4868 -4.2767 -4.2767 -4.0932 -4.0932 -2.7124 -2.7124 -2.6579 -2.6579 -1.6649 -1.6649 0.4069 0.4069 1.7588 1.7588 1.8891 1.8891 2.7065 2.7065 k =-0.2727 0.2694 0.0858 ( 14624 PWs) bands (ev): -22.8864 -22.8864 -22.8836 -22.8836 -22.8560 -22.8560 -22.8536 -22.8536 -21.8586 -21.8586 -21.8556 -21.8556 -21.8314 -21.8314 -21.8278 -21.8278 -21.8181 -21.8181 -21.8120 -21.8120 -13.7723 -13.7723 -13.0275 -13.0275 -8.0205 -8.0205 -7.2281 -7.2281 -5.5359 -5.5359 -4.2355 -4.2355 -4.1362 -4.1362 -2.8016 -2.8016 -2.7322 -2.7322 -1.7179 -1.7179 0.3968 0.3968 1.8606 1.8606 1.9678 1.9678 2.7499 2.7499 k =-0.2818 0.2784 0.0858 ( 14608 PWs) bands (ev): -22.8864 -22.8864 -22.8836 -22.8836 -22.8560 -22.8560 -22.8535 -22.8535 -21.8587 -21.8587 -21.8557 -21.8557 -21.8314 -21.8314 -21.8275 -21.8275 -21.8179 -21.8179 -21.8119 -21.8119 -13.7294 -13.7294 -13.0239 -13.0239 -8.0039 -8.0039 -7.2656 -7.2656 -5.5839 -5.5839 -4.2062 -4.2062 -4.1701 -4.1701 -2.9348 -2.9348 -2.7678 -2.7678 -1.7858 -1.7858 0.4049 0.4049 1.9630 1.9630 2.0423 2.0423 2.8046 2.8046 k =-0.2909 0.2874 0.0858 ( 14636 PWs) bands (ev): -22.8865 -22.8865 -22.8836 -22.8836 -22.8559 -22.8559 -22.8534 -22.8534 -21.8589 -21.8589 -21.8558 -21.8558 -21.8314 -21.8314 -21.8272 -21.8272 -21.8178 -21.8178 -21.8117 -21.8117 -13.6864 -13.6864 -13.0208 -13.0208 -7.9831 -7.9831 -7.2995 -7.2995 -5.6307 -5.6307 -4.2299 -4.2299 -4.1561 -4.1561 -3.0647 -3.0647 -2.8084 -2.8084 -1.8661 -1.8661 0.4307 0.4307 2.0466 2.0466 2.1264 2.1264 2.8718 2.8718 k =-0.3000 0.2964 0.0858 ( 14614 PWs) bands (ev): -22.8865 -22.8865 -22.8836 -22.8836 -22.8559 -22.8559 -22.8533 -22.8533 -21.8591 -21.8591 -21.8560 -21.8560 -21.8314 -21.8314 -21.8269 -21.8269 -21.8177 -21.8177 -21.8116 -21.8116 -13.6433 -13.6433 -13.0180 -13.0180 -7.9580 -7.9580 -7.3300 -7.3300 -5.6760 -5.6760 -4.2696 -4.2696 -4.1349 -4.1349 -3.1857 -3.1857 -2.8557 -2.8557 -1.9556 -1.9556 0.4725 0.4725 2.0960 2.0960 2.2331 2.2331 2.9502 2.9502 k =-0.3091 0.3054 0.0858 ( 14600 PWs) bands (ev): -22.8865 -22.8865 -22.8836 -22.8836 -22.8558 -22.8558 -22.8532 -22.8532 -21.8593 -21.8593 -21.8562 -21.8562 -21.8315 -21.8315 -21.8266 -21.8266 -21.8175 -21.8175 -21.8114 -21.8114 -13.6004 -13.6004 -13.0156 -13.0156 -7.9287 -7.9287 -7.3568 -7.3568 -5.7200 -5.7200 -4.3095 -4.3095 -4.1273 -4.1273 -3.2915 -3.2915 -2.9102 -2.9102 -2.0503 -2.0503 0.5279 0.5279 2.1234 2.1234 2.3498 2.3498 3.0362 3.0362 k =-0.3182 0.3144 0.0858 ( 14616 PWs) bands (ev): -22.8865 -22.8865 -22.8836 -22.8836 -22.8558 -22.8558 -22.8531 -22.8531 -21.8595 -21.8595 -21.8564 -21.8564 -21.8316 -21.8316 -21.8263 -21.8263 -21.8174 -21.8174 -21.8113 -21.8113 -13.5577 -13.5577 -13.0136 -13.0136 -7.8953 -7.8953 -7.3800 -7.3800 -5.7624 -5.7624 -4.3488 -4.3488 -4.1409 -4.1409 -3.3750 -3.3750 -2.9730 -2.9730 -2.1459 -2.1459 0.5945 0.5945 2.1371 2.1371 2.4689 2.4689 3.1243 3.1243 k =-0.3273 0.3233 0.0858 ( 14632 PWs) bands (ev): -22.8866 -22.8866 -22.8836 -22.8836 -22.8558 -22.8558 -22.8530 -22.8530 -21.8597 -21.8597 -21.8566 -21.8566 -21.8316 -21.8316 -21.8260 -21.8260 -21.8172 -21.8172 -21.8111 -21.8111 -13.5155 -13.5155 -13.0120 -13.0120 -7.8579 -7.8579 -7.3995 -7.3995 -5.8032 -5.8032 -4.3872 -4.3872 -4.1813 -4.1813 -3.4301 -3.4301 -3.0449 -3.0449 -2.2389 -2.2389 0.6701 0.6701 2.1414 2.1414 2.5871 2.5871 3.2066 3.2066 k =-0.3364 0.3323 0.0858 ( 14610 PWs) bands (ev): -22.8866 -22.8866 -22.8836 -22.8836 -22.8558 -22.8558 -22.8529 -22.8529 -21.8600 -21.8600 -21.8568 -21.8568 -21.8317 -21.8317 -21.8256 -21.8256 -21.8171 -21.8171 -21.8109 -21.8109 -13.4740 -13.4740 -13.0107 -13.0107 -7.8167 -7.8167 -7.4153 -7.4153 -5.8422 -5.8422 -4.4250 -4.4250 -4.2488 -4.2488 -3.4563 -3.4563 -3.1264 -3.1264 -2.3261 -2.3261 0.7529 0.7529 2.1390 2.1390 2.7022 2.7022 3.2727 3.2727 k =-0.3455 0.3413 0.0858 ( 14598 PWs) bands (ev): -22.8866 -22.8866 -22.8837 -22.8837 -22.8557 -22.8557 -22.8528 -22.8528 -21.8602 -21.8602 -21.8570 -21.8570 -21.8318 -21.8318 -21.8253 -21.8253 -21.8170 -21.8170 -21.8108 -21.8108 -13.4332 -13.4332 -13.0097 -13.0097 -7.7719 -7.7719 -7.4274 -7.4274 -5.8796 -5.8796 -4.4636 -4.4636 -4.3365 -4.3365 -3.4596 -3.4596 -3.2166 -3.2166 -2.4053 -2.4053 0.8412 0.8412 2.1318 2.1318 2.8118 2.8118 3.3138 3.3138 k =-0.3545 0.3503 0.0858 ( 14600 PWs) bands (ev): -22.8867 -22.8867 -22.8837 -22.8837 -22.8557 -22.8557 -22.8527 -22.8527 -21.8604 -21.8604 -21.8572 -21.8572 -21.8318 -21.8318 -21.8250 -21.8250 -21.8168 -21.8168 -21.8106 -21.8106 -13.3934 -13.3934 -13.0090 -13.0090 -7.7235 -7.7235 -7.4358 -7.4358 -5.9151 -5.9151 -4.5098 -4.5098 -4.4297 -4.4297 -3.4516 -3.4516 -3.3106 -3.3106 -2.4756 -2.4756 0.9337 0.9337 2.1215 2.1215 2.9132 2.9132 3.3075 3.3075 k =-0.3636 0.3593 0.0858 ( 14600 PWs) bands (ev): -22.8867 -22.8867 -22.8837 -22.8837 -22.8557 -22.8557 -22.8526 -22.8526 -21.8606 -21.8606 -21.8575 -21.8575 -21.8319 -21.8319 -21.8247 -21.8247 -21.8167 -21.8167 -21.8104 -21.8104 -13.3548 -13.3548 -13.0086 -13.0086 -7.6720 -7.6720 -7.4406 -7.4406 -5.9487 -5.9487 -4.5887 -4.5887 -4.4970 -4.4970 -3.4720 -3.4720 -3.3732 -3.3732 -2.5371 -2.5371 1.0293 1.0293 2.1092 2.1092 3.0029 3.0029 3.2859 3.2859 k =-0.3727 0.3682 0.0858 ( 14604 PWs) bands (ev): -22.8867 -22.8867 -22.8838 -22.8838 -22.8557 -22.8557 -22.8525 -22.8525 -21.8609 -21.8609 -21.8577 -21.8577 -21.8319 -21.8319 -21.8244 -21.8244 -21.8166 -21.8166 -21.8103 -21.8103 -13.3175 -13.3175 -13.0084 -13.0084 -7.6176 -7.6176 -7.4418 -7.4418 -5.9804 -5.9804 -4.6975 -4.6975 -4.5365 -4.5365 -3.5662 -3.5662 -3.3616 -3.3616 -2.5905 -2.5905 1.1271 1.1271 2.0957 2.0957 3.0758 3.0758 3.2687 3.2687 k =-0.3818 0.3772 0.0858 ( 14608 PWs) bands (ev): -22.8868 -22.8868 -22.8838 -22.8838 -22.8557 -22.8557 -22.8525 -22.8525 -21.8611 -21.8611 -21.8580 -21.8580 -21.8320 -21.8320 -21.8241 -21.8241 -21.8165 -21.8165 -21.8101 -21.8101 -13.2818 -13.2818 -13.0084 -13.0084 -7.5606 -7.5606 -7.4395 -7.4395 -6.0101 -6.0101 -4.8135 -4.8135 -4.5676 -4.5676 -3.6814 -3.6814 -3.3293 -3.3293 -2.6368 -2.6368 1.2261 1.2261 2.0817 2.0817 3.1237 3.1237 3.2628 3.2628 k =-0.3909 0.3862 0.0858 ( 14594 PWs) bands (ev): -22.8868 -22.8868 -22.8839 -22.8839 -22.8557 -22.8557 -22.8524 -22.8524 -21.8613 -21.8613 -21.8582 -21.8582 -21.8320 -21.8320 -21.8239 -21.8239 -21.8164 -21.8164 -21.8099 -21.8099 -13.2479 -13.2479 -13.0086 -13.0086 -7.5016 -7.5016 -7.4339 -7.4339 -6.0378 -6.0378 -4.9299 -4.9299 -4.5951 -4.5951 -3.8014 -3.8014 -3.2925 -3.2925 -2.6770 -2.6770 1.3256 1.3256 2.0678 2.0678 3.1405 3.1405 3.2738 3.2738 k =-0.4000 0.3952 0.0858 ( 14586 PWs) bands (ev): -22.8868 -22.8868 -22.8839 -22.8839 -22.8557 -22.8557 -22.8523 -22.8523 -21.8615 -21.8615 -21.8584 -21.8584 -21.8321 -21.8321 -21.8236 -21.8236 -21.8163 -21.8163 -21.8098 -21.8098 -13.2158 -13.2158 -13.0089 -13.0089 -7.4414 -7.4414 -7.4247 -7.4247 -6.0634 -6.0634 -5.0439 -5.0439 -4.6200 -4.6200 -3.9222 -3.9222 -3.2546 -3.2546 -2.7120 -2.7120 1.4247 1.4247 2.0544 2.0544 3.1356 3.1356 3.2932 3.2932 k =-0.4091 0.4042 0.0858 ( 14590 PWs) bands (ev): -22.8869 -22.8869 -22.8840 -22.8840 -22.8557 -22.8557 -22.8523 -22.8523 -21.8617 -21.8617 -21.8586 -21.8586 -21.8321 -21.8321 -21.8234 -21.8234 -21.8162 -21.8162 -21.8097 -21.8097 -13.1859 -13.1859 -13.0093 -13.0093 -7.4144 -7.4144 -7.3788 -7.3788 -6.0869 -6.0869 -5.1539 -5.1539 -4.6427 -4.6427 -4.0415 -4.0415 -3.2171 -3.2171 -2.7424 -2.7424 1.5224 1.5224 2.0420 2.0420 3.1224 3.1224 3.3104 3.3104 k =-0.4182 0.4132 0.0858 ( 14586 PWs) bands (ev): -22.8869 -22.8869 -22.8840 -22.8840 -22.8557 -22.8557 -22.8522 -22.8522 -21.8618 -21.8618 -21.8588 -21.8588 -21.8322 -21.8322 -21.8232 -21.8232 -21.8161 -21.8161 -21.8095 -21.8095 -13.1582 -13.1582 -13.0098 -13.0098 -7.4004 -7.4004 -7.3171 -7.3171 -6.1083 -6.1083 -5.2587 -5.2587 -4.6632 -4.6632 -4.1575 -4.1575 -3.1809 -3.1809 -2.7690 -2.7690 1.6176 1.6176 2.0311 2.0311 3.1070 3.1070 3.3222 3.3222 k =-0.4273 0.4221 0.0858 ( 14578 PWs) bands (ev): -22.8869 -22.8869 -22.8840 -22.8840 -22.8557 -22.8557 -22.8522 -22.8522 -21.8620 -21.8620 -21.8590 -21.8590 -21.8322 -21.8322 -21.8230 -21.8230 -21.8160 -21.8160 -21.8094 -21.8094 -13.1329 -13.1329 -13.0103 -13.0103 -7.3846 -7.3846 -7.2559 -7.2559 -6.1275 -6.1275 -5.3571 -5.3571 -4.6815 -4.6815 -4.2685 -4.2685 -3.1469 -3.1469 -2.7920 -2.7920 1.7088 1.7088 2.0224 2.0224 3.0916 3.0916 3.3282 3.3282 k =-0.4364 0.4311 0.0858 ( 14588 PWs) bands (ev): -22.8869 -22.8869 -22.8841 -22.8841 -22.8557 -22.8557 -22.8522 -22.8522 -21.8621 -21.8621 -21.8592 -21.8592 -21.8322 -21.8322 -21.8228 -21.8228 -21.8160 -21.8160 -21.8093 -21.8093 -13.1103 -13.1103 -13.0108 -13.0108 -7.3675 -7.3675 -7.1965 -7.1965 -6.1446 -6.1446 -5.4480 -5.4480 -4.6979 -4.6979 -4.3728 -4.3728 -3.1157 -3.1157 -2.8117 -2.8117 1.7933 1.7933 2.0175 2.0175 3.0771 3.0771 3.3286 3.3286 k =-0.4455 0.4401 0.0858 ( 14582 PWs) bands (ev): -22.8869 -22.8869 -22.8841 -22.8841 -22.8557 -22.8557 -22.8521 -22.8521 -21.8623 -21.8623 -21.8594 -21.8594 -21.8322 -21.8322 -21.8227 -21.8227 -21.8159 -21.8159 -21.8092 -21.8092 -13.0903 -13.0903 -13.0113 -13.0113 -7.3498 -7.3498 -7.1400 -7.1400 -6.1594 -6.1594 -5.5304 -5.5304 -4.7122 -4.7122 -4.4687 -4.4687 -3.0876 -3.0876 -2.8285 -2.8285 1.8662 1.8662 2.0201 2.0201 3.0641 3.0641 3.3238 3.3238 k =-0.4545 0.4491 0.0858 ( 14578 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8521 -22.8521 -21.8624 -21.8624 -21.8595 -21.8595 -21.8323 -21.8323 -21.8225 -21.8225 -21.8159 -21.8159 -21.8091 -21.8091 -13.0732 -13.0732 -13.0118 -13.0118 -7.3324 -7.3324 -7.0880 -7.0880 -6.1720 -6.1720 -5.6031 -5.6031 -4.7245 -4.7245 -4.5544 -4.5544 -3.0632 -3.0632 -2.8424 -2.8424 1.9169 1.9169 2.0391 2.0391 3.0528 3.0528 3.3149 3.3149 k =-0.4636 0.4581 0.0858 ( 14584 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8521 -22.8521 -21.8625 -21.8625 -21.8596 -21.8596 -21.8323 -21.8323 -21.8224 -21.8224 -21.8158 -21.8158 -21.8090 -21.8090 -13.0591 -13.0591 -13.0122 -13.0122 -7.3161 -7.3161 -7.0420 -7.0420 -6.1823 -6.1823 -5.6648 -5.6648 -4.7350 -4.7350 -4.6277 -4.6277 -3.0427 -3.0427 -2.8537 -2.8537 1.9395 1.9395 2.0784 2.0784 3.0433 3.0433 3.3042 3.3042 k =-0.4727 0.4670 0.0858 ( 14556 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8625 -21.8625 -21.8597 -21.8597 -21.8323 -21.8323 -21.8224 -21.8224 -21.8158 -21.8158 -21.8090 -21.8090 -13.0480 -13.0480 -13.0125 -13.0125 -7.3020 -7.3020 -7.0038 -7.0038 -6.1904 -6.1904 -5.7145 -5.7145 -4.7447 -4.7447 -4.6859 -4.6859 -3.0265 -3.0265 -2.8623 -2.8623 1.9462 1.9462 2.1237 2.1237 3.0357 3.0357 3.2939 3.2939 k =-0.4818 0.4760 0.0858 ( 14548 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8223 -21.8223 -21.8158 -21.8158 -21.8089 -21.8089 -13.0401 -13.0401 -13.0127 -13.0127 -7.2911 -7.2911 -6.9750 -6.9750 -6.1961 -6.1961 -5.7509 -5.7509 -4.7564 -4.7564 -4.7242 -4.7242 -3.0148 -3.0148 -2.8685 -2.8685 1.9477 1.9477 2.1617 2.1617 3.0303 3.0303 3.2858 3.2858 k =-0.4909 0.4850 0.0858 ( 14548 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8223 -21.8223 -21.8158 -21.8158 -21.8089 -21.8089 -13.0353 -13.0353 -13.0128 -13.0128 -7.2841 -7.2841 -6.9571 -6.9571 -6.1996 -6.1996 -5.7732 -5.7732 -4.7721 -4.7721 -4.7393 -4.7393 -3.0077 -3.0077 -2.8721 -2.8721 1.9478 1.9478 2.1864 2.1864 3.0270 3.0270 3.2810 3.2810 k =-0.5000 0.4940 0.0858 ( 14528 PWs) bands (ev): -22.8870 -22.8870 -22.8842 -22.8842 -22.8557 -22.8557 -22.8520 -22.8520 -21.8626 -21.8626 -21.8598 -21.8598 -21.8323 -21.8323 -21.8222 -21.8222 -21.8157 -21.8157 -21.8089 -21.8089 -13.0337 -13.0337 -13.0128 -13.0128 -7.2818 -7.2818 -6.9510 -6.9510 -6.2007 -6.2007 -5.7807 -5.7807 -4.7793 -4.7793 -4.7424 -4.7424 -3.0053 -3.0053 -2.8733 -2.8733 1.9477 1.9477 2.1949 2.1949 3.0259 3.0259 3.2794 3.2794 Writing output data file SnS.save init_run : 4.22s CPU 13.64s WALL ( 1 calls) electrons : 1043.12s CPU 1058.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.72s CPU 1.76s WALL ( 1 calls) Called by electrons: c_bands : 1043.08s CPU 1057.70s WALL ( 1 calls) v_of_rho : 0.21s CPU 0.98s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.20s CPU 0.63s WALL ( 1 calls) newd : 0.60s CPU 0.88s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.29s WALL ( 340 calls) cegterg : 975.32s CPU 985.84s WALL ( 808 calls) Called by sum_band: Called by *egterg: h_psi : 573.13s CPU 581.69s WALL ( 13149 calls) s_psi : 47.95s CPU 48.14s WALL ( 13149 calls) g_psi : 1.95s CPU 2.02s WALL ( 12001 calls) cdiaghg : 200.85s CPU 198.75s WALL ( 12341 calls) cegterg:over : 90.19s CPU 86.26s WALL ( 12001 calls) cegterg:upda : 38.63s CPU 42.82s WALL ( 12001 calls) cegterg:last : 25.80s CPU 26.57s WALL ( 1829 calls) Called by h_psi: h_psi:vloc : 473.23s CPU 479.45s WALL ( 13149 calls) h_psi:vnl : 98.86s CPU 100.39s WALL ( 13149 calls) add_vuspsi : 36.29s CPU 41.27s WALL ( 13149 calls) General routines calbec : 62.50s CPU 58.94s WALL ( 13149 calls) fft : 0.42s CPU 1.25s WALL ( 19 calls) ffts : 0.05s CPU 0.06s WALL ( 4 calls) fftw : 449.84s CPU 455.70s WALL ( 1091548 calls) interpolate : 0.16s CPU 0.21s WALL ( 4 calls) davcio : 0.09s CPU 2.75s WALL ( 680 calls) Parallel routines fft_scatter : 276.16s CPU 276.82s WALL ( 1091571 calls) PWSCF : 19m 0.70s CPU 21m52.69s WALL This run was terminated on: 1: 4:50 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=