Program PWSCF v.5.1.1 starts on 18Jul2015 at 16: 3:19 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: ./PbS.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 21 18 5 1469 1214 193 Max 23 19 6 1479 1245 208 Sum 1017 891 265 70741 59021 9453 bravais-lattice index = 14 lattice parameter (alat) = 7.7736 a.u. unit-cell volume = 1359.1136 (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 = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.773596 celldm(2)= 1.000000 celldm(3)= 2.893322 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.005672 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.005672 0.999984 0.000000 ) a(3) = ( 0.000000 0.000000 2.893322 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.005673 -0.000000 ) b(2) = ( 0.000000 1.000016 -0.000000 ) b(3) = ( 0.000000 0.000000 0.345623 ) 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 Pb read from file: /home/autes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 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 1281 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) Pb 14.00 207.20000 Pb( 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 =( 0.5028362 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4999920 ) ( 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= 362 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0092070 0.0092594 -0.0000000), wk = 0.0027624 k( 3) = ( 0.0184141 0.0185188 -0.0000000), wk = 0.0027624 k( 4) = ( 0.0276211 0.0277782 -0.0000000), wk = 0.0027624 k( 5) = ( 0.0368281 0.0370376 -0.0000000), wk = 0.0027624 k( 6) = ( 0.0460352 0.0462970 -0.0000000), wk = 0.0027624 k( 7) = ( 0.0552422 0.0555564 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0644492 0.0648159 -0.0000000), wk = 0.0027624 k( 9) = ( 0.0736563 0.0740753 -0.0000000), wk = 0.0027624 k( 10) = ( 0.0828633 0.0833347 -0.0000000), wk = 0.0027624 k( 11) = ( 0.0920703 0.0925941 -0.0000000), wk = 0.0027624 k( 12) = ( 0.1012774 0.1018535 -0.0000000), wk = 0.0027624 k( 13) = ( 0.1104844 0.1111129 -0.0000000), wk = 0.0027624 k( 14) = ( 0.1196914 0.1203723 -0.0000000), wk = 0.0027624 k( 15) = ( 0.1288984 0.1296317 -0.0000000), wk = 0.0027624 k( 16) = ( 0.1381055 0.1388911 -0.0000000), wk = 0.0027624 k( 17) = ( 0.1473125 0.1481505 -0.0000000), wk = 0.0027624 k( 18) = ( 0.1565196 0.1574099 -0.0000000), wk = 0.0027624 k( 19) = ( 0.1657266 0.1666693 -0.0000000), wk = 0.0027624 k( 20) = ( 0.1749336 0.1759288 -0.0000000), wk = 0.0027624 k( 21) = ( 0.1841406 0.1851882 -0.0000000), wk = 0.0027624 k( 22) = ( 0.1933477 0.1944476 -0.0000000), wk = 0.0027624 k( 23) = ( 0.2025547 0.2037070 -0.0000000), wk = 0.0027624 k( 24) = ( 0.2117617 0.2129664 -0.0000000), wk = 0.0027624 k( 25) = ( 0.2209688 0.2222258 -0.0000000), wk = 0.0027624 k( 26) = ( 0.2301758 0.2314852 -0.0000000), wk = 0.0027624 k( 27) = ( 0.2393828 0.2407446 -0.0000000), wk = 0.0027624 k( 28) = ( 0.2485899 0.2500040 -0.0000000), wk = 0.0027624 k( 29) = ( 0.2577969 0.2592634 -0.0000000), wk = 0.0027624 k( 30) = ( 0.2670039 0.2685228 -0.0000000), wk = 0.0027624 k( 31) = ( 0.2762110 0.2777822 -0.0000000), wk = 0.0027624 k( 32) = ( 0.2854180 0.2870417 -0.0000000), wk = 0.0027624 k( 33) = ( 0.2946250 0.2963011 -0.0000000), wk = 0.0027624 k( 34) = ( 0.3038321 0.3055605 -0.0000000), wk = 0.0027624 k( 35) = ( 0.3130391 0.3148199 -0.0000000), wk = 0.0027624 k( 36) = ( 0.3222461 0.3240793 -0.0000000), wk = 0.0027624 k( 37) = ( 0.3314532 0.3333387 -0.0000000), wk = 0.0027624 k( 38) = ( 0.3406602 0.3425981 -0.0000000), wk = 0.0027624 k( 39) = ( 0.3498672 0.3518575 -0.0000000), wk = 0.0027624 k( 40) = ( 0.3590743 0.3611169 -0.0000000), wk = 0.0027624 k( 41) = ( 0.3682813 0.3703763 -0.0000000), wk = 0.0027624 k( 42) = ( 0.3774883 0.3796357 -0.0000000), wk = 0.0027624 k( 43) = ( 0.3866954 0.3888951 -0.0000000), wk = 0.0027624 k( 44) = ( 0.3959024 0.3981545 -0.0000000), wk = 0.0027624 k( 45) = ( 0.4051094 0.4074140 -0.0000000), wk = 0.0027624 k( 46) = ( 0.4143165 0.4166734 -0.0000000), wk = 0.0027624 k( 47) = ( 0.4235235 0.4259328 -0.0000000), wk = 0.0027624 k( 48) = ( 0.4327305 0.4351922 -0.0000000), wk = 0.0027624 k( 49) = ( 0.4419376 0.4444516 -0.0000000), wk = 0.0027624 k( 50) = ( 0.4511446 0.4537110 -0.0000000), wk = 0.0027624 k( 51) = ( 0.4603516 0.4629704 -0.0000000), wk = 0.0027624 k( 52) = ( 0.4695587 0.4722298 -0.0000000), wk = 0.0027624 k( 53) = ( 0.4787657 0.4814892 -0.0000000), wk = 0.0027624 k( 54) = ( 0.4879727 0.4907486 -0.0000000), wk = 0.0027624 k( 55) = ( 0.4971797 0.5000080 -0.0000000), wk = 0.0027624 k( 56) = ( 0.4971797 0.5000080 -0.0000000), wk = 0.0027624 k( 57) = ( 0.4840961 0.5000080 -0.0000000), wk = 0.0027624 k( 58) = ( 0.4710124 0.5000080 -0.0000000), wk = 0.0027624 k( 59) = ( 0.4579287 0.5000080 -0.0000000), wk = 0.0027624 k( 60) = ( 0.4448450 0.5000080 -0.0000000), wk = 0.0027624 k( 61) = ( 0.4317614 0.5000080 -0.0000000), wk = 0.0027624 k( 62) = ( 0.4186777 0.5000080 -0.0000000), wk = 0.0027624 k( 63) = ( 0.4055940 0.5000080 -0.0000000), wk = 0.0027624 k( 64) = ( 0.3925103 0.5000080 -0.0000000), wk = 0.0027624 k( 65) = ( 0.3794266 0.5000080 -0.0000000), wk = 0.0027624 k( 66) = ( 0.3663430 0.5000080 -0.0000000), wk = 0.0027624 k( 67) = ( 0.3532593 0.5000080 -0.0000000), wk = 0.0027624 k( 68) = ( 0.3401756 0.5000080 -0.0000000), wk = 0.0027624 k( 69) = ( 0.3270919 0.5000080 -0.0000000), wk = 0.0027624 k( 70) = ( 0.3140083 0.5000080 -0.0000000), wk = 0.0027624 k( 71) = ( 0.3009246 0.5000080 -0.0000000), wk = 0.0027624 k( 72) = ( 0.2878409 0.5000080 -0.0000000), wk = 0.0027624 k( 73) = ( 0.2747572 0.5000080 -0.0000000), wk = 0.0027624 k( 74) = ( 0.2616735 0.5000080 -0.0000000), wk = 0.0027624 k( 75) = ( 0.2485899 0.5000080 -0.0000000), wk = 0.0027624 k( 76) = ( 0.2355062 0.5000080 -0.0000000), wk = 0.0027624 k( 77) = ( 0.2224225 0.5000080 -0.0000000), wk = 0.0027624 k( 78) = ( 0.2093388 0.5000080 -0.0000000), wk = 0.0027624 k( 79) = ( 0.1962552 0.5000080 -0.0000000), wk = 0.0027624 k( 80) = ( 0.1831715 0.5000080 -0.0000000), wk = 0.0027624 k( 81) = ( 0.1700878 0.5000080 -0.0000000), wk = 0.0027624 k( 82) = ( 0.1570041 0.5000080 -0.0000000), wk = 0.0027624 k( 83) = ( 0.1439205 0.5000080 -0.0000000), wk = 0.0027624 k( 84) = ( 0.1308368 0.5000080 -0.0000000), wk = 0.0027624 k( 85) = ( 0.1177531 0.5000080 -0.0000000), wk = 0.0027624 k( 86) = ( 0.1046694 0.5000080 -0.0000000), wk = 0.0027624 k( 87) = ( 0.0915857 0.5000080 -0.0000000), wk = 0.0027624 k( 88) = ( 0.0785021 0.5000080 -0.0000000), wk = 0.0027624 k( 89) = ( 0.0654184 0.5000080 -0.0000000), wk = 0.0027624 k( 90) = ( 0.0523347 0.5000080 -0.0000000), wk = 0.0027624 k( 91) = ( 0.0392510 0.5000080 -0.0000000), wk = 0.0027624 k( 92) = ( 0.0261674 0.5000080 -0.0000000), wk = 0.0027624 k( 93) = ( 0.0130837 0.5000080 -0.0000000), wk = 0.0027624 k( 94) = ( 0.0000000 0.5000080 -0.0000000), wk = 0.0027624 k( 95) = ( 0.0000000 0.5000080 -0.0000000), wk = 0.0027624 k( 96) = ( 0.0000000 0.5000080 0.0123437), wk = 0.0027624 k( 97) = ( 0.0000000 0.5000080 0.0246874), wk = 0.0027624 k( 98) = ( 0.0000000 0.5000080 0.0370311), wk = 0.0027624 k( 99) = ( 0.0000000 0.5000080 0.0493748), wk = 0.0027624 k( 100) = ( 0.0000000 0.5000080 0.0617185), wk = 0.0027624 k( 101) = ( 0.0000000 0.5000080 0.0740622), wk = 0.0027624 k( 102) = ( 0.0000000 0.5000080 0.0864059), wk = 0.0027624 k( 103) = ( 0.0000000 0.5000080 0.0987496), wk = 0.0027624 k( 104) = ( 0.0000000 0.5000080 0.1110932), wk = 0.0027624 k( 105) = ( 0.0000000 0.5000080 0.1234369), wk = 0.0027624 k( 106) = ( 0.0000000 0.5000080 0.1357806), wk = 0.0027624 k( 107) = ( 0.0000000 0.5000080 0.1481243), wk = 0.0027624 k( 108) = ( 0.0000000 0.5000080 0.1604680), wk = 0.0027624 k( 109) = ( 0.0000000 0.5000080 0.1728117), wk = 0.0027624 k( 110) = ( 0.0000000 0.5000080 0.1728117), wk = 0.0027624 k( 111) = ( 0.0130837 0.5000080 0.1728117), wk = 0.0027624 k( 112) = ( 0.0261674 0.5000080 0.1728117), wk = 0.0027624 k( 113) = ( 0.0392510 0.5000080 0.1728117), wk = 0.0027624 k( 114) = ( 0.0523347 0.5000080 0.1728117), wk = 0.0027624 k( 115) = ( 0.0654184 0.5000080 0.1728117), wk = 0.0027624 k( 116) = ( 0.0785021 0.5000080 0.1728117), wk = 0.0027624 k( 117) = ( 0.0915857 0.5000080 0.1728117), wk = 0.0027624 k( 118) = ( 0.1046694 0.5000080 0.1728117), wk = 0.0027624 k( 119) = ( 0.1177531 0.5000080 0.1728117), wk = 0.0027624 k( 120) = ( 0.1308368 0.5000080 0.1728117), wk = 0.0027624 k( 121) = ( 0.1439205 0.5000080 0.1728117), wk = 0.0027624 k( 122) = ( 0.1570041 0.5000080 0.1728117), wk = 0.0027624 k( 123) = ( 0.1700878 0.5000080 0.1728117), wk = 0.0027624 k( 124) = ( 0.1831715 0.5000080 0.1728117), wk = 0.0027624 k( 125) = ( 0.1962552 0.5000080 0.1728117), wk = 0.0027624 k( 126) = ( 0.2093388 0.5000080 0.1728117), wk = 0.0027624 k( 127) = ( 0.2224225 0.5000080 0.1728117), wk = 0.0027624 k( 128) = ( 0.2355062 0.5000080 0.1728117), wk = 0.0027624 k( 129) = ( 0.2485899 0.5000080 0.1728117), wk = 0.0027624 k( 130) = ( 0.2616735 0.5000080 0.1728117), wk = 0.0027624 k( 131) = ( 0.2747572 0.5000080 0.1728117), wk = 0.0027624 k( 132) = ( 0.2878409 0.5000080 0.1728117), wk = 0.0027624 k( 133) = ( 0.3009246 0.5000080 0.1728117), wk = 0.0027624 k( 134) = ( 0.3140083 0.5000080 0.1728117), wk = 0.0027624 k( 135) = ( 0.3270919 0.5000080 0.1728117), wk = 0.0027624 k( 136) = ( 0.3401756 0.5000080 0.1728117), wk = 0.0027624 k( 137) = ( 0.3532593 0.5000080 0.1728117), wk = 0.0027624 k( 138) = ( 0.3663430 0.5000080 0.1728117), wk = 0.0027624 k( 139) = ( 0.3794266 0.5000080 0.1728117), wk = 0.0027624 k( 140) = ( 0.3925103 0.5000080 0.1728117), wk = 0.0027624 k( 141) = ( 0.4055940 0.5000080 0.1728117), wk = 0.0027624 k( 142) = ( 0.4186777 0.5000080 0.1728117), wk = 0.0027624 k( 143) = ( 0.4317614 0.5000080 0.1728117), wk = 0.0027624 k( 144) = ( 0.4448450 0.5000080 0.1728117), wk = 0.0027624 k( 145) = ( 0.4579287 0.5000080 0.1728117), wk = 0.0027624 k( 146) = ( 0.4710124 0.5000080 0.1728117), wk = 0.0027624 k( 147) = ( 0.4840961 0.5000080 0.1728117), wk = 0.0027624 k( 148) = ( 0.4971797 0.5000080 0.1728117), wk = 0.0027624 k( 149) = ( 0.4971797 0.5000080 0.1728117), wk = 0.0027624 k( 150) = ( 0.4879727 0.4907486 0.1728117), wk = 0.0027624 k( 151) = ( 0.4787657 0.4814892 0.1728117), wk = 0.0027624 k( 152) = ( 0.4695587 0.4722298 0.1728117), wk = 0.0027624 k( 153) = ( 0.4603516 0.4629704 0.1728117), wk = 0.0027624 k( 154) = ( 0.4511446 0.4537110 0.1728117), wk = 0.0027624 k( 155) = ( 0.4419376 0.4444516 0.1728117), wk = 0.0027624 k( 156) = ( 0.4327305 0.4351922 0.1728117), wk = 0.0027624 k( 157) = ( 0.4235235 0.4259328 0.1728117), wk = 0.0027624 k( 158) = ( 0.4143165 0.4166734 0.1728117), wk = 0.0027624 k( 159) = ( 0.4051094 0.4074140 0.1728117), wk = 0.0027624 k( 160) = ( 0.3959024 0.3981545 0.1728117), wk = 0.0027624 k( 161) = ( 0.3866954 0.3888951 0.1728117), wk = 0.0027624 k( 162) = ( 0.3774883 0.3796357 0.1728117), wk = 0.0027624 k( 163) = ( 0.3682813 0.3703763 0.1728117), wk = 0.0027624 k( 164) = ( 0.3590743 0.3611169 0.1728117), wk = 0.0027624 k( 165) = ( 0.3498672 0.3518575 0.1728117), wk = 0.0027624 k( 166) = ( 0.3406602 0.3425981 0.1728117), wk = 0.0027624 k( 167) = ( 0.3314532 0.3333387 0.1728117), wk = 0.0027624 k( 168) = ( 0.3222461 0.3240793 0.1728117), wk = 0.0027624 k( 169) = ( 0.3130391 0.3148199 0.1728117), wk = 0.0027624 k( 170) = ( 0.3038321 0.3055605 0.1728117), wk = 0.0027624 k( 171) = ( 0.2946250 0.2963011 0.1728117), wk = 0.0027624 k( 172) = ( 0.2854180 0.2870417 0.1728117), wk = 0.0027624 k( 173) = ( 0.2762110 0.2777822 0.1728117), wk = 0.0027624 k( 174) = ( 0.2670039 0.2685228 0.1728117), wk = 0.0027624 k( 175) = ( 0.2577969 0.2592634 0.1728117), wk = 0.0027624 k( 176) = ( 0.2485899 0.2500040 0.1728117), wk = 0.0027624 k( 177) = ( 0.2393828 0.2407446 0.1728117), wk = 0.0027624 k( 178) = ( 0.2301758 0.2314852 0.1728117), wk = 0.0027624 k( 179) = ( 0.2209688 0.2222258 0.1728117), wk = 0.0027624 k( 180) = ( 0.2117617 0.2129664 0.1728117), wk = 0.0027624 k( 181) = ( 0.2025547 0.2037070 0.1728117), wk = 0.0027624 k( 182) = ( 0.1933477 0.1944476 0.1728117), wk = 0.0027624 k( 183) = ( 0.1841406 0.1851882 0.1728117), wk = 0.0027624 k( 184) = ( 0.1749336 0.1759288 0.1728117), wk = 0.0027624 k( 185) = ( 0.1657266 0.1666693 0.1728117), wk = 0.0027624 k( 186) = ( 0.1565196 0.1574099 0.1728117), wk = 0.0027624 k( 187) = ( 0.1473125 0.1481505 0.1728117), wk = 0.0027624 k( 188) = ( 0.1381055 0.1388911 0.1728117), wk = 0.0027624 k( 189) = ( 0.1288984 0.1296317 0.1728117), wk = 0.0027624 k( 190) = ( 0.1196914 0.1203723 0.1728117), wk = 0.0027624 k( 191) = ( 0.1104844 0.1111129 0.1728117), wk = 0.0027624 k( 192) = ( 0.1012774 0.1018535 0.1728117), wk = 0.0027624 k( 193) = ( 0.0920703 0.0925941 0.1728117), wk = 0.0027624 k( 194) = ( 0.0828633 0.0833347 0.1728117), wk = 0.0027624 k( 195) = ( 0.0736563 0.0740753 0.1728117), wk = 0.0027624 k( 196) = ( 0.0644492 0.0648159 0.1728117), wk = 0.0027624 k( 197) = ( 0.0552422 0.0555564 0.1728117), wk = 0.0027624 k( 198) = ( 0.0460352 0.0462970 0.1728117), wk = 0.0027624 k( 199) = ( 0.0368281 0.0370376 0.1728117), wk = 0.0027624 k( 200) = ( 0.0276211 0.0277782 0.1728117), wk = 0.0027624 k( 201) = ( 0.0184141 0.0185188 0.1728117), wk = 0.0027624 k( 202) = ( 0.0092070 0.0092594 0.1728117), wk = 0.0027624 k( 203) = ( 0.0000000 0.0000000 0.1728117), wk = 0.0027624 k( 204) = ( 0.0000000 0.0000000 0.1728117), wk = 0.0027624 k( 205) = ( 0.0000000 0.0000000 0.1604680), wk = 0.0027624 k( 206) = ( 0.0000000 0.0000000 0.1481243), wk = 0.0027624 k( 207) = ( 0.0000000 0.0000000 0.1357806), wk = 0.0027624 k( 208) = ( 0.0000000 0.0000000 0.1234369), wk = 0.0027624 k( 209) = ( 0.0000000 0.0000000 0.1110932), wk = 0.0027624 k( 210) = ( 0.0000000 0.0000000 0.0987496), wk = 0.0027624 k( 211) = ( 0.0000000 0.0000000 0.0864059), wk = 0.0027624 k( 212) = ( 0.0000000 0.0000000 0.0740622), wk = 0.0027624 k( 213) = ( 0.0000000 0.0000000 0.0617185), wk = 0.0027624 k( 214) = ( 0.0000000 0.0000000 0.0493748), wk = 0.0027624 k( 215) = ( 0.0000000 0.0000000 0.0370311), wk = 0.0027624 k( 216) = ( 0.0000000 0.0000000 0.0246874), wk = 0.0027624 k( 217) = ( 0.0000000 0.0000000 0.0123437), wk = 0.0027624 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 220) = ( -0.0092593 0.0092069 0.0000000), wk = 0.0027624 k( 221) = ( -0.0185185 0.0184138 0.0000000), wk = 0.0027624 k( 222) = ( -0.0277778 0.0276207 0.0000000), wk = 0.0027624 k( 223) = ( -0.0370370 0.0368275 0.0000000), wk = 0.0027624 k( 224) = ( -0.0462963 0.0460344 0.0000000), wk = 0.0027624 k( 225) = ( -0.0555556 0.0552413 0.0000000), wk = 0.0027624 k( 226) = ( -0.0648148 0.0644482 0.0000000), wk = 0.0027624 k( 227) = ( -0.0740741 0.0736551 0.0000000), wk = 0.0027624 k( 228) = ( -0.0833333 0.0828620 0.0000000), wk = 0.0027624 k( 229) = ( -0.0925926 0.0920688 0.0000000), wk = 0.0027624 k( 230) = ( -0.1018518 0.1012757 0.0000000), wk = 0.0027624 k( 231) = ( -0.1111111 0.1104826 0.0000000), wk = 0.0027624 k( 232) = ( -0.1203704 0.1196895 0.0000000), wk = 0.0027624 k( 233) = ( -0.1296296 0.1288964 0.0000000), wk = 0.0027624 k( 234) = ( -0.1388889 0.1381033 0.0000000), wk = 0.0027624 k( 235) = ( -0.1481482 0.1473102 0.0000000), wk = 0.0027624 k( 236) = ( -0.1574074 0.1565170 0.0000000), wk = 0.0027624 k( 237) = ( -0.1666667 0.1657239 0.0000000), wk = 0.0027624 k( 238) = ( -0.1759259 0.1749308 0.0000000), wk = 0.0027624 k( 239) = ( -0.1851852 0.1841377 0.0000000), wk = 0.0027624 k( 240) = ( -0.1944444 0.1933446 0.0000000), wk = 0.0027624 k( 241) = ( -0.2037037 0.2025515 0.0000000), wk = 0.0027624 k( 242) = ( -0.2129630 0.2117583 0.0000000), wk = 0.0027624 k( 243) = ( -0.2222222 0.2209652 0.0000000), wk = 0.0027624 k( 244) = ( -0.2314815 0.2301721 0.0000000), wk = 0.0027624 k( 245) = ( -0.2407407 0.2393790 0.0000000), wk = 0.0027624 k( 246) = ( -0.2500000 0.2485859 0.0000000), wk = 0.0027624 k( 247) = ( -0.2592593 0.2577928 0.0000000), wk = 0.0027624 k( 248) = ( -0.2685185 0.2669996 0.0000000), wk = 0.0027624 k( 249) = ( -0.2777778 0.2762065 0.0000000), wk = 0.0027624 k( 250) = ( -0.2870370 0.2854134 0.0000000), wk = 0.0027624 k( 251) = ( -0.2962963 0.2946203 0.0000000), wk = 0.0027624 k( 252) = ( -0.3055556 0.3038272 0.0000000), wk = 0.0027624 k( 253) = ( -0.3148148 0.3130341 0.0000000), wk = 0.0027624 k( 254) = ( -0.3240741 0.3222409 0.0000000), wk = 0.0027624 k( 255) = ( -0.3333333 0.3314478 0.0000000), wk = 0.0027624 k( 256) = ( -0.3425926 0.3406547 0.0000000), wk = 0.0027624 k( 257) = ( -0.3518519 0.3498616 0.0000000), wk = 0.0027624 k( 258) = ( -0.3611111 0.3590685 0.0000000), wk = 0.0027624 k( 259) = ( -0.3703704 0.3682754 0.0000000), wk = 0.0027624 k( 260) = ( -0.3796296 0.3774823 0.0000000), wk = 0.0027624 k( 261) = ( -0.3888889 0.3866891 0.0000000), wk = 0.0027624 k( 262) = ( -0.3981481 0.3958960 0.0000000), wk = 0.0027624 k( 263) = ( -0.4074074 0.4051029 0.0000000), wk = 0.0027624 k( 264) = ( -0.4166667 0.4143098 0.0000000), wk = 0.0027624 k( 265) = ( -0.4259259 0.4235167 0.0000000), wk = 0.0027624 k( 266) = ( -0.4351852 0.4327236 0.0000000), wk = 0.0027624 k( 267) = ( -0.4444444 0.4419304 0.0000000), wk = 0.0027624 k( 268) = ( -0.4537037 0.4511373 0.0000000), wk = 0.0027624 k( 269) = ( -0.4629630 0.4603442 0.0000000), wk = 0.0027624 k( 270) = ( -0.4722222 0.4695511 0.0000000), wk = 0.0027624 k( 271) = ( -0.4814815 0.4787580 0.0000000), wk = 0.0027624 k( 272) = ( -0.4907407 0.4879649 0.0000000), wk = 0.0027624 k( 273) = ( -0.5000000 0.4971718 0.0000000), wk = 0.0027624 k( 274) = ( -0.5000000 0.4971718 0.0000000), wk = 0.0027624 k( 275) = ( -0.4971797 0.5000080 -0.0000000), wk = 0.0027624 k( 276) = ( -0.4971797 0.5000080 -0.0000000), wk = 0.0027624 k( 277) = ( -0.4971797 0.5000080 0.0123437), wk = 0.0027624 k( 278) = ( -0.4971797 0.5000080 0.0246874), wk = 0.0027624 k( 279) = ( -0.4971797 0.5000080 0.0370311), wk = 0.0027624 k( 280) = ( -0.4971797 0.5000080 0.0493748), wk = 0.0027624 k( 281) = ( -0.4971797 0.5000080 0.0617185), wk = 0.0027624 k( 282) = ( -0.4971797 0.5000080 0.0740622), wk = 0.0027624 k( 283) = ( -0.4971797 0.5000080 0.0864059), wk = 0.0027624 k( 284) = ( -0.4971797 0.5000080 0.0987496), wk = 0.0027624 k( 285) = ( -0.4971797 0.5000080 0.1110932), wk = 0.0027624 k( 286) = ( -0.4971797 0.5000080 0.1234369), wk = 0.0027624 k( 287) = ( -0.4971797 0.5000080 0.1357806), wk = 0.0027624 k( 288) = ( -0.4971797 0.5000080 0.1481243), wk = 0.0027624 k( 289) = ( -0.4971797 0.5000080 0.1604680), wk = 0.0027624 k( 290) = ( -0.4971797 0.5000080 0.1728117), wk = 0.0027624 k( 291) = ( -0.4971797 0.5000080 0.1728117), wk = 0.0027624 k( 292) = ( -0.5000000 0.4971718 0.1728117), wk = 0.0027624 k( 293) = ( -0.5000000 0.4971718 0.1728117), wk = 0.0027624 k( 294) = ( -0.5000000 0.4971718 0.1604680), wk = 0.0027624 k( 295) = ( -0.5000000 0.4971718 0.1481243), wk = 0.0027624 k( 296) = ( -0.5000000 0.4971718 0.1357806), wk = 0.0027624 k( 297) = ( -0.5000000 0.4971718 0.1234369), wk = 0.0027624 k( 298) = ( -0.5000000 0.4971718 0.1110932), wk = 0.0027624 k( 299) = ( -0.5000000 0.4971718 0.0987496), wk = 0.0027624 k( 300) = ( -0.5000000 0.4971718 0.0864059), wk = 0.0027624 k( 301) = ( -0.5000000 0.4971718 0.0740622), wk = 0.0027624 k( 302) = ( -0.5000000 0.4971718 0.0617185), wk = 0.0027624 k( 303) = ( -0.5000000 0.4971718 0.0493748), wk = 0.0027624 k( 304) = ( -0.5000000 0.4971718 0.0370311), wk = 0.0027624 k( 305) = ( -0.5000000 0.4971718 0.0246874), wk = 0.0027624 k( 306) = ( -0.5000000 0.4971718 0.0123437), wk = 0.0027624 k( 307) = ( -0.5000000 0.4971718 0.0000000), wk = 0.0027624 k( 308) = ( 0.0000000 0.0000000 0.1728117), wk = 0.0027624 k( 309) = ( -0.0092593 0.0092069 0.1728117), wk = 0.0027624 k( 310) = ( -0.0185185 0.0184138 0.1728117), wk = 0.0027624 k( 311) = ( -0.0277778 0.0276207 0.1728117), wk = 0.0027624 k( 312) = ( -0.0370370 0.0368275 0.1728117), wk = 0.0027624 k( 313) = ( -0.0462963 0.0460344 0.1728117), wk = 0.0027624 k( 314) = ( -0.0555556 0.0552413 0.1728117), wk = 0.0027624 k( 315) = ( -0.0648148 0.0644482 0.1728117), wk = 0.0027624 k( 316) = ( -0.0740741 0.0736551 0.1728117), wk = 0.0027624 k( 317) = ( -0.0833333 0.0828620 0.1728117), wk = 0.0027624 k( 318) = ( -0.0925926 0.0920688 0.1728117), wk = 0.0027624 k( 319) = ( -0.1018518 0.1012757 0.1728117), wk = 0.0027624 k( 320) = ( -0.1111111 0.1104826 0.1728117), wk = 0.0027624 k( 321) = ( -0.1203704 0.1196895 0.1728117), wk = 0.0027624 k( 322) = ( -0.1296296 0.1288964 0.1728117), wk = 0.0027624 k( 323) = ( -0.1388889 0.1381033 0.1728117), wk = 0.0027624 k( 324) = ( -0.1481482 0.1473102 0.1728117), wk = 0.0027624 k( 325) = ( -0.1574074 0.1565170 0.1728117), wk = 0.0027624 k( 326) = ( -0.1666667 0.1657239 0.1728117), wk = 0.0027624 k( 327) = ( -0.1759259 0.1749308 0.1728117), wk = 0.0027624 k( 328) = ( -0.1851852 0.1841377 0.1728117), wk = 0.0027624 k( 329) = ( -0.1944444 0.1933446 0.1728117), wk = 0.0027624 k( 330) = ( -0.2037037 0.2025515 0.1728117), wk = 0.0027624 k( 331) = ( -0.2129630 0.2117583 0.1728117), wk = 0.0027624 k( 332) = ( -0.2222222 0.2209652 0.1728117), wk = 0.0027624 k( 333) = ( -0.2314815 0.2301721 0.1728117), wk = 0.0027624 k( 334) = ( -0.2407407 0.2393790 0.1728117), wk = 0.0027624 k( 335) = ( -0.2500000 0.2485859 0.1728117), wk = 0.0027624 k( 336) = ( -0.2592593 0.2577928 0.1728117), wk = 0.0027624 k( 337) = ( -0.2685185 0.2669996 0.1728117), wk = 0.0027624 k( 338) = ( -0.2777778 0.2762065 0.1728117), wk = 0.0027624 k( 339) = ( -0.2870370 0.2854134 0.1728117), wk = 0.0027624 k( 340) = ( -0.2962963 0.2946203 0.1728117), wk = 0.0027624 k( 341) = ( -0.3055556 0.3038272 0.1728117), wk = 0.0027624 k( 342) = ( -0.3148148 0.3130341 0.1728117), wk = 0.0027624 k( 343) = ( -0.3240741 0.3222409 0.1728117), wk = 0.0027624 k( 344) = ( -0.3333333 0.3314478 0.1728117), wk = 0.0027624 k( 345) = ( -0.3425926 0.3406547 0.1728117), wk = 0.0027624 k( 346) = ( -0.3518519 0.3498616 0.1728117), wk = 0.0027624 k( 347) = ( -0.3611111 0.3590685 0.1728117), wk = 0.0027624 k( 348) = ( -0.3703704 0.3682754 0.1728117), wk = 0.0027624 k( 349) = ( -0.3796296 0.3774823 0.1728117), wk = 0.0027624 k( 350) = ( -0.3888889 0.3866891 0.1728117), wk = 0.0027624 k( 351) = ( -0.3981481 0.3958960 0.1728117), wk = 0.0027624 k( 352) = ( -0.4074074 0.4051029 0.1728117), wk = 0.0027624 k( 353) = ( -0.4166667 0.4143098 0.1728117), wk = 0.0027624 k( 354) = ( -0.4259259 0.4235167 0.1728117), wk = 0.0027624 k( 355) = ( -0.4351852 0.4327236 0.1728117), wk = 0.0027624 k( 356) = ( -0.4444444 0.4419304 0.1728117), wk = 0.0027624 k( 357) = ( -0.4537037 0.4511373 0.1728117), wk = 0.0027624 k( 358) = ( -0.4629630 0.4603442 0.1728117), wk = 0.0027624 k( 359) = ( -0.4722222 0.4695511 0.1728117), wk = 0.0027624 k( 360) = ( -0.4814815 0.4787580 0.1728117), wk = 0.0027624 k( 361) = ( -0.4907407 0.4879649 0.1728117), wk = 0.0027624 k( 362) = ( -0.5000000 0.4971718 0.1728117), wk = 0.0027624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0092070 0.0092070 -0.0000000), wk = 0.0027624 k( 3) = ( 0.0184141 0.0184141 -0.0000000), wk = 0.0027624 k( 4) = ( 0.0276211 0.0276211 -0.0000000), wk = 0.0027624 k( 5) = ( 0.0368281 0.0368281 -0.0000000), wk = 0.0027624 k( 6) = ( 0.0460352 0.0460352 -0.0000000), wk = 0.0027624 k( 7) = ( 0.0552422 0.0552422 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0644492 0.0644492 0.0000000), wk = 0.0027624 k( 9) = ( 0.0736563 0.0736563 -0.0000000), wk = 0.0027624 k( 10) = ( 0.0828633 0.0828633 0.0000000), wk = 0.0027624 k( 11) = ( 0.0920703 0.0920703 -0.0000000), wk = 0.0027624 k( 12) = ( 0.1012774 0.1012774 -0.0000000), wk = 0.0027624 k( 13) = ( 0.1104844 0.1104844 0.0000000), wk = 0.0027624 k( 14) = ( 0.1196914 0.1196914 -0.0000000), wk = 0.0027624 k( 15) = ( 0.1288984 0.1288984 0.0000000), wk = 0.0027624 k( 16) = ( 0.1381055 0.1381055 0.0000000), wk = 0.0027624 k( 17) = ( 0.1473125 0.1473125 -0.0000000), wk = 0.0027624 k( 18) = ( 0.1565196 0.1565196 0.0000000), wk = 0.0027624 k( 19) = ( 0.1657266 0.1657266 0.0000000), wk = 0.0027624 k( 20) = ( 0.1749336 0.1749336 0.0000000), wk = 0.0027624 k( 21) = ( 0.1841406 0.1841406 -0.0000000), wk = 0.0027624 k( 22) = ( 0.1933477 0.1933477 0.0000000), wk = 0.0027624 k( 23) = ( 0.2025547 0.2025547 0.0000000), wk = 0.0027624 k( 24) = ( 0.2117617 0.2117617 0.0000000), wk = 0.0027624 k( 25) = ( 0.2209688 0.2209688 0.0000000), wk = 0.0027624 k( 26) = ( 0.2301758 0.2301758 0.0000000), wk = 0.0027624 k( 27) = ( 0.2393828 0.2393828 -0.0000000), wk = 0.0027624 k( 28) = ( 0.2485899 0.2485899 -0.0000000), wk = 0.0027624 k( 29) = ( 0.2577969 0.2577969 -0.0000000), wk = 0.0027624 k( 30) = ( 0.2670039 0.2670039 0.0000000), wk = 0.0027624 k( 31) = ( 0.2762110 0.2762110 0.0000000), wk = 0.0027624 k( 32) = ( 0.2854180 0.2854180 0.0000000), wk = 0.0027624 k( 33) = ( 0.2946250 0.2946250 -0.0000000), wk = 0.0027624 k( 34) = ( 0.3038321 0.3038321 -0.0000000), wk = 0.0027624 k( 35) = ( 0.3130391 0.3130391 0.0000000), wk = 0.0027624 k( 36) = ( 0.3222461 0.3222461 0.0000000), wk = 0.0027624 k( 37) = ( 0.3314532 0.3314532 0.0000000), wk = 0.0027624 k( 38) = ( 0.3406602 0.3406602 -0.0000000), wk = 0.0027624 k( 39) = ( 0.3498672 0.3498672 0.0000000), wk = 0.0027624 k( 40) = ( 0.3590743 0.3590743 0.0000000), wk = 0.0027624 k( 41) = ( 0.3682813 0.3682813 -0.0000000), wk = 0.0027624 k( 42) = ( 0.3774883 0.3774883 -0.0000000), wk = 0.0027624 k( 43) = ( 0.3866954 0.3866954 0.0000000), wk = 0.0027624 k( 44) = ( 0.3959024 0.3959024 0.0000000), wk = 0.0027624 k( 45) = ( 0.4051094 0.4051094 0.0000000), wk = 0.0027624 k( 46) = ( 0.4143165 0.4143165 -0.0000000), wk = 0.0027624 k( 47) = ( 0.4235235 0.4235235 -0.0000000), wk = 0.0027624 k( 48) = ( 0.4327305 0.4327305 0.0000000), wk = 0.0027624 k( 49) = ( 0.4419376 0.4419376 0.0000000), wk = 0.0027624 k( 50) = ( 0.4511446 0.4511446 0.0000000), wk = 0.0027624 k( 51) = ( 0.4603516 0.4603516 0.0000000), wk = 0.0027624 k( 52) = ( 0.4695587 0.4695586 0.0000000), wk = 0.0027624 k( 53) = ( 0.4787657 0.4787657 0.0000000), wk = 0.0027624 k( 54) = ( 0.4879727 0.4879727 -0.0000000), wk = 0.0027624 k( 55) = ( 0.4971797 0.4971797 0.0000000), wk = 0.0027624 k( 56) = ( 0.4971797 0.4971797 0.0000000), wk = 0.0027624 k( 57) = ( 0.4840961 0.4972540 -0.0000000), wk = 0.0027624 k( 58) = ( 0.4710124 0.4973282 -0.0000000), wk = 0.0027624 k( 59) = ( 0.4579287 0.4974024 0.0000000), wk = 0.0027624 k( 60) = ( 0.4448450 0.4974766 -0.0000000), wk = 0.0027624 k( 61) = ( 0.4317614 0.4975508 0.0000000), wk = 0.0027624 k( 62) = ( 0.4186777 0.4976251 -0.0000000), wk = 0.0027624 k( 63) = ( 0.4055940 0.4976993 0.0000000), wk = 0.0027624 k( 64) = ( 0.3925103 0.4977735 0.0000000), wk = 0.0027624 k( 65) = ( 0.3794266 0.4978477 0.0000000), wk = 0.0027624 k( 66) = ( 0.3663430 0.4979219 0.0000000), wk = 0.0027624 k( 67) = ( 0.3532593 0.4979961 0.0000000), wk = 0.0027624 k( 68) = ( 0.3401756 0.4980704 -0.0000000), wk = 0.0027624 k( 69) = ( 0.3270919 0.4981446 0.0000000), wk = 0.0027624 k( 70) = ( 0.3140083 0.4982188 0.0000000), wk = 0.0027624 k( 71) = ( 0.3009246 0.4982930 0.0000000), wk = 0.0027624 k( 72) = ( 0.2878409 0.4983672 -0.0000000), wk = 0.0027624 k( 73) = ( 0.2747572 0.4984414 0.0000000), wk = 0.0027624 k( 74) = ( 0.2616735 0.4985157 0.0000000), wk = 0.0027624 k( 75) = ( 0.2485899 0.4985899 0.0000000), wk = 0.0027624 k( 76) = ( 0.2355062 0.4986641 0.0000000), wk = 0.0027624 k( 77) = ( 0.2224225 0.4987383 -0.0000000), wk = 0.0027624 k( 78) = ( 0.2093388 0.4988125 -0.0000000), wk = 0.0027624 k( 79) = ( 0.1962552 0.4988867 -0.0000000), wk = 0.0027624 k( 80) = ( 0.1831715 0.4989610 -0.0000000), wk = 0.0027624 k( 81) = ( 0.1700878 0.4990352 -0.0000000), wk = 0.0027624 k( 82) = ( 0.1570041 0.4991094 0.0000000), wk = 0.0027624 k( 83) = ( 0.1439205 0.4991836 -0.0000000), wk = 0.0027624 k( 84) = ( 0.1308368 0.4992578 -0.0000000), wk = 0.0027624 k( 85) = ( 0.1177531 0.4993321 -0.0000000), wk = 0.0027624 k( 86) = ( 0.1046694 0.4994063 -0.0000000), wk = 0.0027624 k( 87) = ( 0.0915857 0.4994805 0.0000000), wk = 0.0027624 k( 88) = ( 0.0785021 0.4995547 -0.0000000), wk = 0.0027624 k( 89) = ( 0.0654184 0.4996289 0.0000000), wk = 0.0027624 k( 90) = ( 0.0523347 0.4997031 0.0000000), wk = 0.0027624 k( 91) = ( 0.0392510 0.4997774 -0.0000000), wk = 0.0027624 k( 92) = ( 0.0261674 0.4998516 0.0000000), wk = 0.0027624 k( 93) = ( 0.0130837 0.4999258 -0.0000000), wk = 0.0027624 k( 94) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 95) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 96) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0027624 k( 97) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027624 k( 98) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0027624 k( 99) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027624 k( 100) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0027624 k( 101) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027624 k( 102) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027624 k( 103) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027624 k( 104) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0027624 k( 105) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027624 k( 106) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0027624 k( 107) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027624 k( 108) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0027624 k( 109) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 110) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 111) = ( 0.0130837 0.4999258 0.5000000), wk = 0.0027624 k( 112) = ( 0.0261674 0.4998516 0.5000000), wk = 0.0027624 k( 113) = ( 0.0392510 0.4997774 0.5000000), wk = 0.0027624 k( 114) = ( 0.0523347 0.4997031 0.5000000), wk = 0.0027624 k( 115) = ( 0.0654184 0.4996289 0.5000000), wk = 0.0027624 k( 116) = ( 0.0785021 0.4995547 0.5000000), wk = 0.0027624 k( 117) = ( 0.0915857 0.4994805 0.5000000), wk = 0.0027624 k( 118) = ( 0.1046694 0.4994063 0.5000000), wk = 0.0027624 k( 119) = ( 0.1177531 0.4993321 0.5000000), wk = 0.0027624 k( 120) = ( 0.1308368 0.4992578 0.5000000), wk = 0.0027624 k( 121) = ( 0.1439205 0.4991836 0.5000000), wk = 0.0027624 k( 122) = ( 0.1570041 0.4991094 0.5000000), wk = 0.0027624 k( 123) = ( 0.1700878 0.4990352 0.5000000), wk = 0.0027624 k( 124) = ( 0.1831715 0.4989610 0.5000000), wk = 0.0027624 k( 125) = ( 0.1962552 0.4988867 0.5000000), wk = 0.0027624 k( 126) = ( 0.2093388 0.4988125 0.5000000), wk = 0.0027624 k( 127) = ( 0.2224225 0.4987383 0.5000000), wk = 0.0027624 k( 128) = ( 0.2355062 0.4986641 0.5000000), wk = 0.0027624 k( 129) = ( 0.2485899 0.4985899 0.5000000), wk = 0.0027624 k( 130) = ( 0.2616735 0.4985157 0.5000000), wk = 0.0027624 k( 131) = ( 0.2747572 0.4984414 0.5000000), wk = 0.0027624 k( 132) = ( 0.2878409 0.4983672 0.5000000), wk = 0.0027624 k( 133) = ( 0.3009246 0.4982930 0.5000000), wk = 0.0027624 k( 134) = ( 0.3140083 0.4982188 0.5000000), wk = 0.0027624 k( 135) = ( 0.3270919 0.4981446 0.5000000), wk = 0.0027624 k( 136) = ( 0.3401756 0.4980704 0.5000000), wk = 0.0027624 k( 137) = ( 0.3532593 0.4979961 0.5000000), wk = 0.0027624 k( 138) = ( 0.3663430 0.4979219 0.5000000), wk = 0.0027624 k( 139) = ( 0.3794266 0.4978477 0.5000000), wk = 0.0027624 k( 140) = ( 0.3925103 0.4977735 0.5000000), wk = 0.0027624 k( 141) = ( 0.4055940 0.4976993 0.5000000), wk = 0.0027624 k( 142) = ( 0.4186777 0.4976251 0.5000000), wk = 0.0027624 k( 143) = ( 0.4317614 0.4975508 0.5000000), wk = 0.0027624 k( 144) = ( 0.4448450 0.4974766 0.5000000), wk = 0.0027624 k( 145) = ( 0.4579287 0.4974024 0.5000000), wk = 0.0027624 k( 146) = ( 0.4710124 0.4973282 0.5000000), wk = 0.0027624 k( 147) = ( 0.4840961 0.4972540 0.5000000), wk = 0.0027624 k( 148) = ( 0.4971797 0.4971797 0.5000000), wk = 0.0027624 k( 149) = ( 0.4971797 0.4971797 0.5000000), wk = 0.0027624 k( 150) = ( 0.4879727 0.4879727 0.5000000), wk = 0.0027624 k( 151) = ( 0.4787657 0.4787657 0.5000000), wk = 0.0027624 k( 152) = ( 0.4695587 0.4695586 0.5000000), wk = 0.0027624 k( 153) = ( 0.4603516 0.4603516 0.5000000), wk = 0.0027624 k( 154) = ( 0.4511446 0.4511446 0.5000000), wk = 0.0027624 k( 155) = ( 0.4419376 0.4419376 0.5000000), wk = 0.0027624 k( 156) = ( 0.4327305 0.4327305 0.5000000), wk = 0.0027624 k( 157) = ( 0.4235235 0.4235235 0.5000000), wk = 0.0027624 k( 158) = ( 0.4143165 0.4143165 0.5000000), wk = 0.0027624 k( 159) = ( 0.4051094 0.4051094 0.5000000), wk = 0.0027624 k( 160) = ( 0.3959024 0.3959024 0.5000000), wk = 0.0027624 k( 161) = ( 0.3866954 0.3866954 0.5000000), wk = 0.0027624 k( 162) = ( 0.3774883 0.3774883 0.5000000), wk = 0.0027624 k( 163) = ( 0.3682813 0.3682813 0.5000000), wk = 0.0027624 k( 164) = ( 0.3590743 0.3590743 0.5000000), wk = 0.0027624 k( 165) = ( 0.3498672 0.3498672 0.5000000), wk = 0.0027624 k( 166) = ( 0.3406602 0.3406602 0.5000000), wk = 0.0027624 k( 167) = ( 0.3314532 0.3314532 0.5000000), wk = 0.0027624 k( 168) = ( 0.3222461 0.3222461 0.5000000), wk = 0.0027624 k( 169) = ( 0.3130391 0.3130391 0.5000000), wk = 0.0027624 k( 170) = ( 0.3038321 0.3038321 0.5000000), wk = 0.0027624 k( 171) = ( 0.2946250 0.2946250 0.5000000), wk = 0.0027624 k( 172) = ( 0.2854180 0.2854180 0.5000000), wk = 0.0027624 k( 173) = ( 0.2762110 0.2762110 0.5000000), wk = 0.0027624 k( 174) = ( 0.2670039 0.2670039 0.5000000), wk = 0.0027624 k( 175) = ( 0.2577969 0.2577969 0.5000000), wk = 0.0027624 k( 176) = ( 0.2485899 0.2485899 0.5000000), wk = 0.0027624 k( 177) = ( 0.2393828 0.2393828 0.5000000), wk = 0.0027624 k( 178) = ( 0.2301758 0.2301758 0.5000000), wk = 0.0027624 k( 179) = ( 0.2209688 0.2209688 0.5000000), wk = 0.0027624 k( 180) = ( 0.2117617 0.2117617 0.5000000), wk = 0.0027624 k( 181) = ( 0.2025547 0.2025547 0.5000000), wk = 0.0027624 k( 182) = ( 0.1933477 0.1933477 0.5000000), wk = 0.0027624 k( 183) = ( 0.1841406 0.1841406 0.5000000), wk = 0.0027624 k( 184) = ( 0.1749336 0.1749336 0.5000000), wk = 0.0027624 k( 185) = ( 0.1657266 0.1657266 0.5000000), wk = 0.0027624 k( 186) = ( 0.1565196 0.1565196 0.5000000), wk = 0.0027624 k( 187) = ( 0.1473125 0.1473125 0.5000000), wk = 0.0027624 k( 188) = ( 0.1381055 0.1381055 0.5000000), wk = 0.0027624 k( 189) = ( 0.1288984 0.1288984 0.5000000), wk = 0.0027624 k( 190) = ( 0.1196914 0.1196914 0.5000000), wk = 0.0027624 k( 191) = ( 0.1104844 0.1104844 0.5000000), wk = 0.0027624 k( 192) = ( 0.1012774 0.1012774 0.5000000), wk = 0.0027624 k( 193) = ( 0.0920703 0.0920703 0.5000000), wk = 0.0027624 k( 194) = ( 0.0828633 0.0828633 0.5000000), wk = 0.0027624 k( 195) = ( 0.0736563 0.0736563 0.5000000), wk = 0.0027624 k( 196) = ( 0.0644492 0.0644492 0.5000000), wk = 0.0027624 k( 197) = ( 0.0552422 0.0552422 0.5000000), wk = 0.0027624 k( 198) = ( 0.0460352 0.0460352 0.5000000), wk = 0.0027624 k( 199) = ( 0.0368281 0.0368281 0.5000000), wk = 0.0027624 k( 200) = ( 0.0276211 0.0276211 0.5000000), wk = 0.0027624 k( 201) = ( 0.0184141 0.0184141 0.5000000), wk = 0.0027624 k( 202) = ( 0.0092070 0.0092070 0.5000000), wk = 0.0027624 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 204) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 205) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027624 k( 206) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027624 k( 207) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027624 k( 208) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027624 k( 209) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027624 k( 210) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027624 k( 211) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027624 k( 212) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027624 k( 213) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027624 k( 214) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027624 k( 215) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027624 k( 216) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027624 k( 217) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027624 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 220) = ( -0.0092593 0.0092593 -0.0000000), wk = 0.0027624 k( 221) = ( -0.0185185 0.0185185 -0.0000000), wk = 0.0027624 k( 222) = ( -0.0277778 0.0277778 -0.0000000), wk = 0.0027624 k( 223) = ( -0.0370370 0.0370370 -0.0000000), wk = 0.0027624 k( 224) = ( -0.0462963 0.0462963 -0.0000000), wk = 0.0027624 k( 225) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0027624 k( 226) = ( -0.0648148 0.0648148 -0.0000000), wk = 0.0027624 k( 227) = ( -0.0740741 0.0740741 -0.0000000), wk = 0.0027624 k( 228) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0027624 k( 229) = ( -0.0925926 0.0925926 -0.0000000), wk = 0.0027624 k( 230) = ( -0.1018518 0.1018518 -0.0000000), wk = 0.0027624 k( 231) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0027624 k( 232) = ( -0.1203704 0.1203704 -0.0000000), wk = 0.0027624 k( 233) = ( -0.1296296 0.1296296 -0.0000000), wk = 0.0027624 k( 234) = ( -0.1388889 0.1388889 -0.0000000), wk = 0.0027624 k( 235) = ( -0.1481482 0.1481481 -0.0000000), wk = 0.0027624 k( 236) = ( -0.1574074 0.1574074 -0.0000000), wk = 0.0027624 k( 237) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0027624 k( 238) = ( -0.1759259 0.1759259 -0.0000000), wk = 0.0027624 k( 239) = ( -0.1851852 0.1851852 -0.0000000), wk = 0.0027624 k( 240) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0027624 k( 241) = ( -0.2037037 0.2037037 -0.0000000), wk = 0.0027624 k( 242) = ( -0.2129630 0.2129630 -0.0000000), wk = 0.0027624 k( 243) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0027624 k( 244) = ( -0.2314815 0.2314815 -0.0000000), wk = 0.0027624 k( 245) = ( -0.2407407 0.2407407 -0.0000000), wk = 0.0027624 k( 246) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027624 k( 247) = ( -0.2592593 0.2592593 -0.0000000), wk = 0.0027624 k( 248) = ( -0.2685185 0.2685185 -0.0000000), wk = 0.0027624 k( 249) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0027624 k( 250) = ( -0.2870370 0.2870370 -0.0000000), wk = 0.0027624 k( 251) = ( -0.2962963 0.2962963 -0.0000000), wk = 0.0027624 k( 252) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0027624 k( 253) = ( -0.3148148 0.3148148 -0.0000000), wk = 0.0027624 k( 254) = ( -0.3240741 0.3240741 -0.0000000), wk = 0.0027624 k( 255) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0027624 k( 256) = ( -0.3425926 0.3425926 -0.0000000), wk = 0.0027624 k( 257) = ( -0.3518519 0.3518519 -0.0000000), wk = 0.0027624 k( 258) = ( -0.3611111 0.3611111 -0.0000000), wk = 0.0027624 k( 259) = ( -0.3703704 0.3703704 -0.0000000), wk = 0.0027624 k( 260) = ( -0.3796296 0.3796296 -0.0000000), wk = 0.0027624 k( 261) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0027624 k( 262) = ( -0.3981481 0.3981481 0.0000000), wk = 0.0027624 k( 263) = ( -0.4074074 0.4074074 -0.0000000), wk = 0.0027624 k( 264) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0027624 k( 265) = ( -0.4259259 0.4259259 0.0000000), wk = 0.0027624 k( 266) = ( -0.4351852 0.4351852 -0.0000000), wk = 0.0027624 k( 267) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0027624 k( 268) = ( -0.4537037 0.4537037 -0.0000000), wk = 0.0027624 k( 269) = ( -0.4629630 0.4629630 -0.0000000), wk = 0.0027624 k( 270) = ( -0.4722222 0.4722222 -0.0000000), wk = 0.0027624 k( 271) = ( -0.4814815 0.4814815 -0.0000000), wk = 0.0027624 k( 272) = ( -0.4907407 0.4907407 -0.0000000), wk = 0.0027624 k( 273) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 274) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 275) = ( -0.4971797 0.5028202 -0.0000000), wk = 0.0027624 k( 276) = ( -0.4971797 0.5028202 -0.0000000), wk = 0.0027624 k( 277) = ( -0.4971797 0.5028202 0.0357143), wk = 0.0027624 k( 278) = ( -0.4971797 0.5028202 0.0714286), wk = 0.0027624 k( 279) = ( -0.4971797 0.5028202 0.1071429), wk = 0.0027624 k( 280) = ( -0.4971797 0.5028202 0.1428571), wk = 0.0027624 k( 281) = ( -0.4971797 0.5028202 0.1785714), wk = 0.0027624 k( 282) = ( -0.4971797 0.5028202 0.2142857), wk = 0.0027624 k( 283) = ( -0.4971797 0.5028202 0.2500000), wk = 0.0027624 k( 284) = ( -0.4971797 0.5028202 0.2857143), wk = 0.0027624 k( 285) = ( -0.4971797 0.5028202 0.3214286), wk = 0.0027624 k( 286) = ( -0.4971797 0.5028202 0.3571429), wk = 0.0027624 k( 287) = ( -0.4971797 0.5028202 0.3928571), wk = 0.0027624 k( 288) = ( -0.4971797 0.5028202 0.4285714), wk = 0.0027624 k( 289) = ( -0.4971797 0.5028202 0.4642857), wk = 0.0027624 k( 290) = ( -0.4971797 0.5028202 0.5000000), wk = 0.0027624 k( 291) = ( -0.4971797 0.5028202 0.5000000), wk = 0.0027624 k( 292) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 293) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 294) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0027624 k( 295) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0027624 k( 296) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0027624 k( 297) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0027624 k( 298) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0027624 k( 299) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0027624 k( 300) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027624 k( 301) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0027624 k( 302) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0027624 k( 303) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0027624 k( 304) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0027624 k( 305) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0027624 k( 306) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0027624 k( 307) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 308) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 309) = ( -0.0092593 0.0092593 0.5000000), wk = 0.0027624 k( 310) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0027624 k( 311) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0027624 k( 312) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0027624 k( 313) = ( -0.0462963 0.0462963 0.5000000), wk = 0.0027624 k( 314) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0027624 k( 315) = ( -0.0648148 0.0648148 0.5000000), wk = 0.0027624 k( 316) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0027624 k( 317) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0027624 k( 318) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0027624 k( 319) = ( -0.1018518 0.1018518 0.5000000), wk = 0.0027624 k( 320) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0027624 k( 321) = ( -0.1203704 0.1203704 0.5000000), wk = 0.0027624 k( 322) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0027624 k( 323) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0027624 k( 324) = ( -0.1481482 0.1481481 0.5000000), wk = 0.0027624 k( 325) = ( -0.1574074 0.1574074 0.5000000), wk = 0.0027624 k( 326) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0027624 k( 327) = ( -0.1759259 0.1759259 0.5000000), wk = 0.0027624 k( 328) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0027624 k( 329) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0027624 k( 330) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0027624 k( 331) = ( -0.2129630 0.2129630 0.5000000), wk = 0.0027624 k( 332) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0027624 k( 333) = ( -0.2314815 0.2314815 0.5000000), wk = 0.0027624 k( 334) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0027624 k( 335) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027624 k( 336) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0027624 k( 337) = ( -0.2685185 0.2685185 0.5000000), wk = 0.0027624 k( 338) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0027624 k( 339) = ( -0.2870370 0.2870370 0.5000000), wk = 0.0027624 k( 340) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0027624 k( 341) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0027624 k( 342) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0027624 k( 343) = ( -0.3240741 0.3240741 0.5000000), wk = 0.0027624 k( 344) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0027624 k( 345) = ( -0.3425926 0.3425926 0.5000000), wk = 0.0027624 k( 346) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0027624 k( 347) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0027624 k( 348) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0027624 k( 349) = ( -0.3796296 0.3796296 0.5000000), wk = 0.0027624 k( 350) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0027624 k( 351) = ( -0.3981481 0.3981481 0.5000000), wk = 0.0027624 k( 352) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0027624 k( 353) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0027624 k( 354) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0027624 k( 355) = ( -0.4351852 0.4351852 0.5000000), wk = 0.0027624 k( 356) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0027624 k( 357) = ( -0.4537037 0.4537037 0.5000000), wk = 0.0027624 k( 358) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0027624 k( 359) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0027624 k( 360) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0027624 k( 361) = ( -0.4907407 0.4907407 0.5000000), wk = 0.0027624 k( 362) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 Dense grid: 70741 G-vectors FFT dimensions: ( 40, 40, 108) Smooth grid: 59021 G-vectors FFT dimensions: ( 36, 36, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 336, 48) NL pseudopotentials 0.35 Mb ( 168, 136) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1473) G-vector shells 0.01 Mb ( 747) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.98 Mb ( 336, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./PbS.save/charge-density.dat 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 43.3 secs Computing kpt #: 2 total cpu time spent up to now is 45.3 secs Computing kpt #: 3 total cpu time spent up to now is 47.1 secs Computing kpt #: 4 total cpu time spent up to now is 49.0 secs Computing kpt #: 5 total cpu time spent up to now is 50.8 secs Computing kpt #: 6 total cpu time spent up to now is 52.6 secs Computing kpt #: 7 total cpu time spent up to now is 54.4 secs Computing kpt #: 8 total cpu time spent up to now is 56.3 secs Computing kpt #: 9 total cpu time spent up to now is 58.1 secs Computing kpt #: 10 total cpu time spent up to now is 59.8 secs Computing kpt #: 11 total cpu time spent up to now is 61.6 secs Computing kpt #: 12 total cpu time spent up to now is 63.5 secs Computing kpt #: 13 total cpu time spent up to now is 65.2 secs Computing kpt #: 14 total cpu time spent up to now is 67.0 secs Computing kpt #: 15 total cpu time spent up to now is 68.8 secs Computing kpt #: 16 total cpu time spent up to now is 70.6 secs Computing kpt #: 17 total cpu time spent up to now is 72.5 secs Computing kpt #: 18 total cpu time spent up to now is 74.4 secs Computing kpt #: 19 total cpu time spent up to now is 76.2 secs Computing kpt #: 20 total cpu time spent up to now is 77.9 secs Computing kpt #: 21 total cpu time spent up to now is 79.8 secs Computing kpt #: 22 total cpu time spent up to now is 81.6 secs Computing kpt #: 23 total cpu time spent up to now is 83.4 secs Computing kpt #: 24 total cpu time spent up to now is 85.2 secs Computing kpt #: 25 total cpu time spent up to now is 87.0 secs Computing kpt #: 26 total cpu time spent up to now is 88.7 secs Computing kpt #: 27 total cpu time spent up to now is 90.5 secs Computing kpt #: 28 total cpu time spent up to now is 92.2 secs Computing kpt #: 29 total cpu time spent up to now is 94.0 secs Computing kpt #: 30 total cpu time spent up to now is 96.0 secs Computing kpt #: 31 total cpu time spent up to now is 97.8 secs Computing kpt #: 32 total cpu time spent up to now is 99.5 secs Computing kpt #: 33 total cpu time spent up to now is 101.4 secs Computing kpt #: 34 total cpu time spent up to now is 103.4 secs Computing kpt #: 35 total cpu time spent up to now is 105.2 secs Computing kpt #: 36 total cpu time spent up to now is 107.0 secs Computing kpt #: 37 total cpu time spent up to now is 109.1 secs Computing kpt #: 38 total cpu time spent up to now is 111.2 secs Computing kpt #: 39 total cpu time spent up to now is 113.1 secs Computing kpt #: 40 total cpu time spent up to now is 115.1 secs Computing kpt #: 41 total cpu time spent up to now is 117.1 secs Computing kpt #: 42 total cpu time spent up to now is 119.0 secs Computing kpt #: 43 total cpu time spent up to now is 120.9 secs Computing kpt #: 44 total cpu time spent up to now is 122.9 secs Computing kpt #: 45 total cpu time spent up to now is 124.7 secs Computing kpt #: 46 total cpu time spent up to now is 126.6 secs Computing kpt #: 47 total cpu time spent up to now is 128.5 secs Computing kpt #: 48 total cpu time spent up to now is 130.4 secs Computing kpt #: 49 total cpu time spent up to now is 132.3 secs Computing kpt #: 50 total cpu time spent up to now is 134.2 secs Computing kpt #: 51 total cpu time spent up to now is 136.1 secs Computing kpt #: 52 total cpu time spent up to now is 138.0 secs Computing kpt #: 53 total cpu time spent up to now is 139.9 secs Computing kpt #: 54 total cpu time spent up to now is 141.8 secs Computing kpt #: 55 total cpu time spent up to now is 143.7 secs Computing kpt #: 56 total cpu time spent up to now is 145.6 secs Computing kpt #: 57 total cpu time spent up to now is 147.5 secs Computing kpt #: 58 total cpu time spent up to now is 149.4 secs Computing kpt #: 59 total cpu time spent up to now is 151.3 secs Computing kpt #: 60 total cpu time spent up to now is 153.2 secs Computing kpt #: 61 total cpu time spent up to now is 155.1 secs Computing kpt #: 62 total cpu time spent up to now is 157.0 secs Computing kpt #: 63 total cpu time spent up to now is 158.9 secs Computing kpt #: 64 total cpu time spent up to now is 160.7 secs Computing kpt #: 65 total cpu time spent up to now is 162.6 secs Computing kpt #: 66 total cpu time spent up to now is 164.5 secs Computing kpt #: 67 total cpu time spent up to now is 166.3 secs Computing kpt #: 68 total cpu time spent up to now is 168.1 secs Computing kpt #: 69 total cpu time spent up to now is 170.1 secs Computing kpt #: 70 total cpu time spent up to now is 171.9 secs Computing kpt #: 71 total cpu time spent up to now is 173.6 secs Computing kpt #: 72 total cpu time spent up to now is 175.4 secs Computing kpt #: 73 total cpu time spent up to now is 177.2 secs Computing kpt #: 74 total cpu time spent up to now is 178.9 secs Computing kpt #: 75 total cpu time spent up to now is 180.6 secs Computing kpt #: 76 total cpu time spent up to now is 182.1 secs Computing kpt #: 77 total cpu time spent up to now is 183.7 secs Computing kpt #: 78 total cpu time spent up to now is 185.2 secs Computing kpt #: 79 total cpu time spent up to now is 186.8 secs Computing kpt #: 80 total cpu time spent up to now is 188.4 secs Computing kpt #: 81 total cpu time spent up to now is 190.0 secs Computing kpt #: 82 total cpu time spent up to now is 191.5 secs Computing kpt #: 83 total cpu time spent up to now is 193.1 secs Computing kpt #: 84 total cpu time spent up to now is 194.8 secs Computing kpt #: 85 total cpu time spent up to now is 196.4 secs Computing kpt #: 86 total cpu time spent up to now is 198.0 secs Computing kpt #: 87 total cpu time spent up to now is 199.9 secs Computing kpt #: 88 total cpu time spent up to now is 201.7 secs Computing kpt #: 89 total cpu time spent up to now is 203.5 secs Computing kpt #: 90 total cpu time spent up to now is 205.2 secs Computing kpt #: 91 total cpu time spent up to now is 207.0 secs Computing kpt #: 92 total cpu time spent up to now is 208.8 secs Computing kpt #: 93 total cpu time spent up to now is 210.5 secs Computing kpt #: 94 total cpu time spent up to now is 212.2 secs Computing kpt #: 95 total cpu time spent up to now is 214.0 secs Computing kpt #: 96 total cpu time spent up to now is 215.6 secs Computing kpt #: 97 total cpu time spent up to now is 217.3 secs Computing kpt #: 98 total cpu time spent up to now is 218.9 secs Computing kpt #: 99 total cpu time spent up to now is 220.6 secs Computing kpt #: 100 total cpu time spent up to now is 222.3 secs Computing kpt #: 101 total cpu time spent up to now is 224.2 secs Computing kpt #: 102 total cpu time spent up to now is 225.7 secs Computing kpt #: 103 total cpu time spent up to now is 227.5 secs Computing kpt #: 104 total cpu time spent up to now is 229.1 secs Computing kpt #: 105 total cpu time spent up to now is 230.8 secs Computing kpt #: 106 total cpu time spent up to now is 232.3 secs Computing kpt #: 107 total cpu time spent up to now is 234.0 secs Computing kpt #: 108 total cpu time spent up to now is 235.6 secs Computing kpt #: 109 total cpu time spent up to now is 237.3 secs Computing kpt #: 110 total cpu time spent up to now is 239.0 secs Computing kpt #: 111 total cpu time spent up to now is 240.6 secs Computing kpt #: 112 total cpu time spent up to now is 242.2 secs Computing kpt #: 113 total cpu time spent up to now is 244.0 secs Computing kpt #: 114 total cpu time spent up to now is 245.8 secs Computing kpt #: 115 total cpu time spent up to now is 247.6 secs Computing kpt #: 116 total cpu time spent up to now is 249.4 secs Computing kpt #: 117 total cpu time spent up to now is 251.2 secs Computing kpt #: 118 total cpu time spent up to now is 252.7 secs Computing kpt #: 119 total cpu time spent up to now is 254.4 secs Computing kpt #: 120 total cpu time spent up to now is 256.0 secs Computing kpt #: 121 total cpu time spent up to now is 257.6 secs Computing kpt #: 122 total cpu time spent up to now is 259.3 secs Computing kpt #: 123 total cpu time spent up to now is 260.9 secs Computing kpt #: 124 total cpu time spent up to now is 262.4 secs Computing kpt #: 125 total cpu time spent up to now is 264.1 secs Computing kpt #: 126 total cpu time spent up to now is 265.8 secs Computing kpt #: 127 total cpu time spent up to now is 267.4 secs Computing kpt #: 128 total cpu time spent up to now is 268.9 secs Computing kpt #: 129 total cpu time spent up to now is 270.7 secs Computing kpt #: 130 total cpu time spent up to now is 272.5 secs Computing kpt #: 131 total cpu time spent up to now is 274.3 secs Computing kpt #: 132 total cpu time spent up to now is 276.1 secs Computing kpt #: 133 total cpu time spent up to now is 277.8 secs Computing kpt #: 134 total cpu time spent up to now is 279.6 secs Computing kpt #: 135 total cpu time spent up to now is 281.4 secs Computing kpt #: 136 total cpu time spent up to now is 283.2 secs Computing kpt #: 137 total cpu time spent up to now is 285.1 secs Computing kpt #: 138 total cpu time spent up to now is 286.9 secs Computing kpt #: 139 total cpu time spent up to now is 288.7 secs Computing kpt #: 140 total cpu time spent up to now is 290.6 secs Computing kpt #: 141 total cpu time spent up to now is 292.4 secs Computing kpt #: 142 total cpu time spent up to now is 294.3 secs Computing kpt #: 143 total cpu time spent up to now is 296.5 secs Computing kpt #: 144 total cpu time spent up to now is 298.4 secs Computing kpt #: 145 total cpu time spent up to now is 300.4 secs Computing kpt #: 146 total cpu time spent up to now is 302.3 secs Computing kpt #: 147 total cpu time spent up to now is 304.2 secs Computing kpt #: 148 total cpu time spent up to now is 306.0 secs Computing kpt #: 149 total cpu time spent up to now is 307.9 secs Computing kpt #: 150 total cpu time spent up to now is 309.8 secs Computing kpt #: 151 total cpu time spent up to now is 311.6 secs Computing kpt #: 152 total cpu time spent up to now is 313.6 secs Computing kpt #: 153 total cpu time spent up to now is 315.6 secs Computing kpt #: 154 total cpu time spent up to now is 317.4 secs Computing kpt #: 155 total cpu time spent up to now is 319.3 secs Computing kpt #: 156 total cpu time spent up to now is 321.2 secs Computing kpt #: 157 total cpu time spent up to now is 323.1 secs Computing kpt #: 158 total cpu time spent up to now is 325.0 secs Computing kpt #: 159 total cpu time spent up to now is 326.9 secs Computing kpt #: 160 total cpu time spent up to now is 328.8 secs Computing kpt #: 161 total cpu time spent up to now is 330.6 secs Computing kpt #: 162 total cpu time spent up to now is 332.5 secs Computing kpt #: 163 total cpu time spent up to now is 334.5 secs Computing kpt #: 164 total cpu time spent up to now is 336.5 secs Computing kpt #: 165 total cpu time spent up to now is 338.5 secs Computing kpt #: 166 total cpu time spent up to now is 340.4 secs Computing kpt #: 167 total cpu time spent up to now is 342.2 secs Computing kpt #: 168 total cpu time spent up to now is 344.1 secs Computing kpt #: 169 total cpu time spent up to now is 346.0 secs Computing kpt #: 170 total cpu time spent up to now is 347.8 secs Computing kpt #: 171 total cpu time spent up to now is 349.6 secs Computing kpt #: 172 total cpu time spent up to now is 351.4 secs Computing kpt #: 173 total cpu time spent up to now is 353.1 secs Computing kpt #: 174 total cpu time spent up to now is 354.9 secs Computing kpt #: 175 total cpu time spent up to now is 356.8 secs Computing kpt #: 176 total cpu time spent up to now is 358.5 secs Computing kpt #: 177 total cpu time spent up to now is 360.2 secs Computing kpt #: 178 total cpu time spent up to now is 362.1 secs Computing kpt #: 179 total cpu time spent up to now is 363.8 secs Computing kpt #: 180 total cpu time spent up to now is 365.6 secs Computing kpt #: 181 total cpu time spent up to now is 367.3 secs Computing kpt #: 182 total cpu time spent up to now is 369.1 secs Computing kpt #: 183 total cpu time spent up to now is 370.8 secs Computing kpt #: 184 total cpu time spent up to now is 372.5 secs Computing kpt #: 185 total cpu time spent up to now is 374.4 secs Computing kpt #: 186 total cpu time spent up to now is 376.1 secs Computing kpt #: 187 total cpu time spent up to now is 377.9 secs Computing kpt #: 188 total cpu time spent up to now is 379.8 secs Computing kpt #: 189 total cpu time spent up to now is 381.7 secs Computing kpt #: 190 total cpu time spent up to now is 383.7 secs Computing kpt #: 191 total cpu time spent up to now is 385.7 secs Computing kpt #: 192 total cpu time spent up to now is 387.9 secs Computing kpt #: 193 total cpu time spent up to now is 389.9 secs Computing kpt #: 194 total cpu time spent up to now is 392.1 secs Computing kpt #: 195 total cpu time spent up to now is 394.1 secs Computing kpt #: 196 total cpu time spent up to now is 396.2 secs Computing kpt #: 197 total cpu time spent up to now is 399.0 secs Computing kpt #: 198 total cpu time spent up to now is 401.8 secs Computing kpt #: 199 total cpu time spent up to now is 404.3 secs Computing kpt #: 200 total cpu time spent up to now is 406.3 secs Computing kpt #: 201 total cpu time spent up to now is 408.6 secs Computing kpt #: 202 total cpu time spent up to now is 410.6 secs Computing kpt #: 203 total cpu time spent up to now is 412.9 secs Computing kpt #: 204 total cpu time spent up to now is 414.9 secs Computing kpt #: 205 total cpu time spent up to now is 416.9 secs Computing kpt #: 206 total cpu time spent up to now is 418.9 secs Computing kpt #: 207 total cpu time spent up to now is 420.8 secs Computing kpt #: 208 total cpu time spent up to now is 422.9 secs Computing kpt #: 209 total cpu time spent up to now is 424.8 secs Computing kpt #: 210 total cpu time spent up to now is 426.7 secs Computing kpt #: 211 total cpu time spent up to now is 428.7 secs Computing kpt #: 212 total cpu time spent up to now is 430.6 secs Computing kpt #: 213 total cpu time spent up to now is 432.5 secs Computing kpt #: 214 total cpu time spent up to now is 434.3 secs Computing kpt #: 215 total cpu time spent up to now is 436.2 secs Computing kpt #: 216 total cpu time spent up to now is 438.1 secs Computing kpt #: 217 total cpu time spent up to now is 440.0 secs Computing kpt #: 218 total cpu time spent up to now is 441.8 secs Computing kpt #: 219 total cpu time spent up to now is 443.6 secs Computing kpt #: 220 total cpu time spent up to now is 445.5 secs Computing kpt #: 221 total cpu time spent up to now is 447.4 secs Computing kpt #: 222 total cpu time spent up to now is 449.3 secs Computing kpt #: 223 total cpu time spent up to now is 451.2 secs Computing kpt #: 224 total cpu time spent up to now is 453.1 secs Computing kpt #: 225 total cpu time spent up to now is 455.0 secs Computing kpt #: 226 total cpu time spent up to now is 456.8 secs Computing kpt #: 227 total cpu time spent up to now is 458.6 secs Computing kpt #: 228 total cpu time spent up to now is 460.4 secs Computing kpt #: 229 total cpu time spent up to now is 462.2 secs Computing kpt #: 230 total cpu time spent up to now is 464.1 secs Computing kpt #: 231 total cpu time spent up to now is 465.9 secs Computing kpt #: 232 total cpu time spent up to now is 467.6 secs Computing kpt #: 233 total cpu time spent up to now is 469.4 secs Computing kpt #: 234 total cpu time spent up to now is 471.2 secs Computing kpt #: 235 total cpu time spent up to now is 473.0 secs Computing kpt #: 236 total cpu time spent up to now is 474.7 secs Computing kpt #: 237 total cpu time spent up to now is 476.5 secs Computing kpt #: 238 total cpu time spent up to now is 478.2 secs Computing kpt #: 239 total cpu time spent up to now is 480.0 secs Computing kpt #: 240 total cpu time spent up to now is 481.8 secs Computing kpt #: 241 total cpu time spent up to now is 483.6 secs Computing kpt #: 242 total cpu time spent up to now is 485.4 secs Computing kpt #: 243 total cpu time spent up to now is 487.2 secs Computing kpt #: 244 total cpu time spent up to now is 488.9 secs Computing kpt #: 245 total cpu time spent up to now is 490.7 secs Computing kpt #: 246 total cpu time spent up to now is 492.4 secs Computing kpt #: 247 total cpu time spent up to now is 494.4 secs Computing kpt #: 248 total cpu time spent up to now is 496.2 secs Computing kpt #: 249 total cpu time spent up to now is 497.9 secs Computing kpt #: 250 total cpu time spent up to now is 499.7 secs Computing kpt #: 251 total cpu time spent up to now is 501.5 secs Computing kpt #: 252 total cpu time spent up to now is 503.3 secs Computing kpt #: 253 total cpu time spent up to now is 505.2 secs Computing kpt #: 254 total cpu time spent up to now is 507.1 secs Computing kpt #: 255 total cpu time spent up to now is 509.3 secs Computing kpt #: 256 total cpu time spent up to now is 511.8 secs Computing kpt #: 257 total cpu time spent up to now is 514.2 secs Computing kpt #: 258 total cpu time spent up to now is 516.3 secs Computing kpt #: 259 total cpu time spent up to now is 518.5 secs Computing kpt #: 260 total cpu time spent up to now is 520.8 secs Computing kpt #: 261 total cpu time spent up to now is 523.2 secs Computing kpt #: 262 total cpu time spent up to now is 525.2 secs Computing kpt #: 263 total cpu time spent up to now is 527.4 secs Computing kpt #: 264 total cpu time spent up to now is 529.4 secs Computing kpt #: 265 total cpu time spent up to now is 531.5 secs Computing kpt #: 266 total cpu time spent up to now is 533.5 secs Computing kpt #: 267 total cpu time spent up to now is 535.6 secs Computing kpt #: 268 total cpu time spent up to now is 537.5 secs Computing kpt #: 269 total cpu time spent up to now is 539.8 secs Computing kpt #: 270 total cpu time spent up to now is 541.8 secs Computing kpt #: 271 total cpu time spent up to now is 543.9 secs Computing kpt #: 272 total cpu time spent up to now is 545.8 secs Computing kpt #: 273 total cpu time spent up to now is 547.7 secs Computing kpt #: 274 total cpu time spent up to now is 549.5 secs Computing kpt #: 275 total cpu time spent up to now is 551.4 secs Computing kpt #: 276 total cpu time spent up to now is 553.3 secs Computing kpt #: 277 total cpu time spent up to now is 555.2 secs Computing kpt #: 278 total cpu time spent up to now is 557.1 secs Computing kpt #: 279 total cpu time spent up to now is 559.0 secs Computing kpt #: 280 total cpu time spent up to now is 560.9 secs Computing kpt #: 281 total cpu time spent up to now is 562.8 secs Computing kpt #: 282 total cpu time spent up to now is 564.6 secs Computing kpt #: 283 total cpu time spent up to now is 566.5 secs Computing kpt #: 284 total cpu time spent up to now is 568.4 secs Computing kpt #: 285 total cpu time spent up to now is 570.2 secs Computing kpt #: 286 total cpu time spent up to now is 572.1 secs Computing kpt #: 287 total cpu time spent up to now is 574.0 secs Computing kpt #: 288 total cpu time spent up to now is 575.9 secs Computing kpt #: 289 total cpu time spent up to now is 577.8 secs Computing kpt #: 290 total cpu time spent up to now is 579.7 secs Computing kpt #: 291 total cpu time spent up to now is 581.5 secs Computing kpt #: 292 total cpu time spent up to now is 583.4 secs Computing kpt #: 293 total cpu time spent up to now is 585.3 secs Computing kpt #: 294 total cpu time spent up to now is 587.2 secs Computing kpt #: 295 total cpu time spent up to now is 589.1 secs Computing kpt #: 296 total cpu time spent up to now is 591.0 secs Computing kpt #: 297 total cpu time spent up to now is 592.9 secs Computing kpt #: 298 total cpu time spent up to now is 594.7 secs Computing kpt #: 299 total cpu time spent up to now is 596.7 secs Computing kpt #: 300 total cpu time spent up to now is 598.5 secs Computing kpt #: 301 total cpu time spent up to now is 600.4 secs Computing kpt #: 302 total cpu time spent up to now is 602.3 secs Computing kpt #: 303 total cpu time spent up to now is 604.1 secs Computing kpt #: 304 total cpu time spent up to now is 606.0 secs Computing kpt #: 305 total cpu time spent up to now is 607.9 secs Computing kpt #: 306 total cpu time spent up to now is 609.8 secs Computing kpt #: 307 total cpu time spent up to now is 611.6 secs Computing kpt #: 308 total cpu time spent up to now is 613.7 secs Computing kpt #: 309 total cpu time spent up to now is 615.7 secs Computing kpt #: 310 total cpu time spent up to now is 618.6 secs Computing kpt #: 311 total cpu time spent up to now is 621.2 secs Computing kpt #: 312 total cpu time spent up to now is 623.7 secs Computing kpt #: 313 total cpu time spent up to now is 625.8 secs Computing kpt #: 314 total cpu time spent up to now is 627.9 secs Computing kpt #: 315 total cpu time spent up to now is 629.9 secs Computing kpt #: 316 total cpu time spent up to now is 632.5 secs Computing kpt #: 317 total cpu time spent up to now is 634.6 secs Computing kpt #: 318 total cpu time spent up to now is 636.7 secs Computing kpt #: 319 total cpu time spent up to now is 638.7 secs Computing kpt #: 320 total cpu time spent up to now is 640.8 secs Computing kpt #: 321 total cpu time spent up to now is 642.8 secs Computing kpt #: 322 total cpu time spent up to now is 644.6 secs Computing kpt #: 323 total cpu time spent up to now is 646.4 secs Computing kpt #: 324 total cpu time spent up to now is 648.1 secs Computing kpt #: 325 total cpu time spent up to now is 650.0 secs Computing kpt #: 326 total cpu time spent up to now is 651.7 secs Computing kpt #: 327 total cpu time spent up to now is 653.4 secs Computing kpt #: 328 total cpu time spent up to now is 655.2 secs Computing kpt #: 329 total cpu time spent up to now is 657.0 secs Computing kpt #: 330 total cpu time spent up to now is 658.7 secs Computing kpt #: 331 total cpu time spent up to now is 660.5 secs Computing kpt #: 332 total cpu time spent up to now is 662.3 secs Computing kpt #: 333 total cpu time spent up to now is 664.1 secs Computing kpt #: 334 total cpu time spent up to now is 665.8 secs Computing kpt #: 335 total cpu time spent up to now is 667.7 secs Computing kpt #: 336 total cpu time spent up to now is 669.4 secs Computing kpt #: 337 total cpu time spent up to now is 671.2 secs Computing kpt #: 338 total cpu time spent up to now is 673.0 secs Computing kpt #: 339 total cpu time spent up to now is 674.8 secs Computing kpt #: 340 total cpu time spent up to now is 676.7 secs Computing kpt #: 341 total cpu time spent up to now is 678.4 secs Computing kpt #: 342 total cpu time spent up to now is 680.4 secs Computing kpt #: 343 total cpu time spent up to now is 682.2 secs Computing kpt #: 344 total cpu time spent up to now is 684.1 secs Computing kpt #: 345 total cpu time spent up to now is 686.1 secs Computing kpt #: 346 total cpu time spent up to now is 688.9 secs Computing kpt #: 347 total cpu time spent up to now is 691.2 secs Computing kpt #: 348 total cpu time spent up to now is 693.2 secs Computing kpt #: 349 total cpu time spent up to now is 695.6 secs Computing kpt #: 350 total cpu time spent up to now is 697.7 secs Computing kpt #: 351 total cpu time spent up to now is 699.8 secs Computing kpt #: 352 total cpu time spent up to now is 701.8 secs Computing kpt #: 353 total cpu time spent up to now is 703.8 secs Computing kpt #: 354 total cpu time spent up to now is 705.9 secs Computing kpt #: 355 total cpu time spent up to now is 707.8 secs Computing kpt #: 356 total cpu time spent up to now is 709.8 secs Computing kpt #: 357 total cpu time spent up to now is 712.0 secs Computing kpt #: 358 total cpu time spent up to now is 713.9 secs Computing kpt #: 359 total cpu time spent up to now is 715.9 secs Computing kpt #: 360 total cpu time spent up to now is 717.8 secs Computing kpt #: 361 total cpu time spent up to now is 719.7 secs Computing kpt #: 362 total cpu time spent up to now is 721.5 secs ethr = 2.50E-11, avg # of iterations = 28.9 total cpu time spent up to now is 721.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7363 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6831 -10.6831 -9.2738 -9.2738 -4.8788 -4.8788 -3.3993 -3.3993 -1.1292 -1.1292 -0.4831 -0.4831 -0.1991 -0.1991 0.5005 0.5005 0.8536 0.8536 2.1239 2.1239 3.2214 3.2214 4.9462 4.9462 6.5827 6.5827 6.6377 6.6377 k = 0.0092 0.0093-0.0000 ( 7359 PWs) bands (ev): -15.4985 -15.4985 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9443 -12.9443 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6821 -10.6821 -9.2734 -9.2734 -4.8813 -4.8813 -3.4024 -3.4024 -1.1298 -1.1298 -0.4808 -0.4808 -0.1986 -0.1986 0.5043 0.5043 0.8552 0.8552 2.1225 2.1225 3.2231 3.2231 4.9473 4.9473 6.5683 6.5683 6.6436 6.6436 k = 0.0184 0.0185-0.0000 ( 7363 PWs) bands (ev): -15.4985 -15.4985 -15.4902 -15.4902 -15.4793 -15.4793 -15.4763 -15.4763 -13.0042 -13.0042 -12.9443 -12.9443 -12.9334 -12.9334 -12.9312 -12.9312 -12.9064 -12.9064 -12.8868 -12.8868 -10.6790 -10.6790 -9.2722 -9.2722 -4.8887 -4.8887 -3.4117 -3.4117 -1.1314 -1.1314 -0.4743 -0.4743 -0.1966 -0.1966 0.5151 0.5151 0.8603 0.8603 2.1181 2.1181 3.2279 3.2279 4.9505 4.9505 6.5344 6.5344 6.6520 6.6520 k = 0.0276 0.0278-0.0000 ( 7374 PWs) bands (ev): -15.4985 -15.4985 -15.4902 -15.4902 -15.4793 -15.4793 -15.4763 -15.4763 -13.0039 -13.0039 -12.9442 -12.9442 -12.9332 -12.9332 -12.9311 -12.9311 -12.9065 -12.9065 -12.8870 -12.8870 -10.6739 -10.6739 -9.2703 -9.2703 -4.9008 -4.9008 -3.4271 -3.4271 -1.1338 -1.1338 -0.4651 -0.4651 -0.1918 -0.1918 0.5308 0.5308 0.8707 0.8707 2.1108 2.1108 3.2361 3.2361 4.9558 4.9558 6.4884 6.4884 6.6559 6.6559 k = 0.0368 0.0370-0.0000 ( 7378 PWs) bands (ev): -15.4984 -15.4984 -15.4901 -15.4901 -15.4792 -15.4792 -15.4762 -15.4762 -13.0035 -13.0035 -12.9440 -12.9440 -12.9329 -12.9329 -12.9309 -12.9309 -12.9067 -12.9067 -12.8873 -12.8873 -10.6667 -10.6667 -9.2675 -9.2675 -4.9175 -4.9175 -3.4483 -3.4483 -1.1365 -1.1365 -0.4556 -0.4556 -0.1817 -0.1817 0.5479 0.5479 0.8887 0.8887 2.1007 2.1007 3.2474 3.2474 4.9632 4.9632 6.4321 6.4321 6.6540 6.6540 k = 0.0460 0.0463-0.0000 ( 7384 PWs) bands (ev): -15.4983 -15.4983 -15.4901 -15.4901 -15.4791 -15.4791 -15.4762 -15.4762 -13.0029 -13.0029 -12.9439 -12.9439 -12.9326 -12.9326 -12.9307 -12.9307 -12.9069 -12.9069 -12.8877 -12.8877 -10.6574 -10.6574 -9.2640 -9.2640 -4.9383 -4.9383 -3.4751 -3.4751 -1.1390 -1.1390 -0.4491 -0.4491 -0.1632 -0.1632 0.5624 0.5624 0.9172 0.9172 2.0878 2.0878 3.2620 3.2620 4.9726 4.9726 6.3660 6.3660 6.6461 6.6461 k = 0.0552 0.0556-0.0000 ( 7380 PWs) bands (ev): -15.4982 -15.4982 -15.4900 -15.4900 -15.4790 -15.4790 -15.4761 -15.4761 -13.0023 -13.0023 -12.9437 -12.9437 -12.9322 -12.9322 -12.9304 -12.9304 -12.9071 -12.9071 -12.8882 -12.8882 -10.6461 -10.6461 -9.2598 -9.2598 -4.9628 -4.9628 -3.5070 -3.5070 -1.1409 -1.1409 -0.4485 -0.4485 -0.1337 -0.1337 0.5710 0.5710 0.9583 0.9583 2.0722 2.0722 3.2797 3.2797 4.9840 4.9840 6.2907 6.2907 6.6321 6.6321 k = 0.0644 0.0648-0.0000 ( 7392 PWs) bands (ev): -15.4981 -15.4981 -15.4899 -15.4899 -15.4789 -15.4789 -15.4760 -15.4760 -13.0016 -13.0016 -12.9434 -12.9434 -12.9318 -12.9318 -12.9301 -12.9301 -12.9075 -12.9075 -12.8888 -12.8888 -10.6328 -10.6328 -9.2549 -9.2549 -4.9906 -4.9906 -3.5437 -3.5437 -1.1415 -1.1415 -0.4554 -0.4554 -0.0920 -0.0920 0.5719 0.5719 1.0123 1.0123 2.0541 2.0541 3.3005 3.3005 4.9972 4.9972 6.2067 6.2067 6.6119 6.6119 k = 0.0737 0.0741-0.0000 ( 7404 PWs) bands (ev): -15.4980 -15.4980 -15.4898 -15.4898 -15.4788 -15.4788 -15.4759 -15.4759 -13.0008 -13.0008 -12.9432 -12.9432 -12.9313 -12.9313 -12.9297 -12.9297 -12.9079 -12.9079 -12.8895 -12.8895 -10.6174 -10.6174 -9.2493 -9.2493 -5.0211 -5.0211 -3.5847 -3.5847 -1.1405 -1.1405 -0.4694 -0.4694 -0.0386 -0.0386 0.5652 0.5652 1.0776 1.0776 2.0334 2.0334 3.3242 3.3242 5.0120 5.0120 6.1148 6.1148 6.5847 6.5847 k = 0.0829 0.0833-0.0000 ( 7406 PWs) bands (ev): -15.4978 -15.4978 -15.4897 -15.4897 -15.4787 -15.4787 -15.4758 -15.4758 -12.9999 -12.9999 -12.9429 -12.9429 -12.9307 -12.9307 -12.9293 -12.9293 -12.9084 -12.9084 -12.8902 -12.8902 -10.5999 -10.5999 -9.2430 -9.2430 -5.0539 -5.0539 -3.6295 -3.6295 -1.1375 -1.1375 -0.4897 -0.4897 0.0251 0.0251 0.5519 0.5519 1.1516 1.1516 2.0106 2.0106 3.3508 3.3508 5.0283 5.0283 6.0162 6.0162 6.5499 6.5499 k = 0.0921 0.0926-0.0000 ( 7402 PWs) bands (ev): -15.4977 -15.4977 -15.4896 -15.4896 -15.4786 -15.4786 -15.4757 -15.4757 -12.9989 -12.9989 -12.9426 -12.9426 -12.9302 -12.9302 -12.9289 -12.9289 -12.9089 -12.9089 -12.8911 -12.8911 -10.5805 -10.5805 -9.2361 -9.2361 -5.0883 -5.0883 -3.6775 -3.6775 -1.1323 -1.1323 -0.5150 -0.5150 0.0973 0.0973 0.5332 0.5332 1.2317 1.2317 1.9856 1.9856 3.3800 3.3800 5.0457 5.0457 5.9125 5.9125 6.5061 6.5061 k = 0.1013 0.1019-0.0000 ( 7402 PWs) bands (ev): -15.4975 -15.4975 -15.4895 -15.4895 -15.4785 -15.4785 -15.4755 -15.4755 -12.9979 -12.9979 -12.9422 -12.9422 -12.9296 -12.9296 -12.9284 -12.9284 -12.9095 -12.9095 -12.8919 -12.8919 -10.5590 -10.5590 -9.2286 -9.2286 -5.1239 -5.1239 -3.7284 -3.7284 -1.1248 -1.1248 -0.5443 -0.5443 0.1767 0.1767 0.5100 0.5100 1.3152 1.3152 1.9590 1.9590 3.4116 3.4116 5.0637 5.0637 5.8059 5.8059 6.4520 6.4520 k = 0.1105 0.1111-0.0000 ( 7408 PWs) bands (ev): -15.4973 -15.4973 -15.4893 -15.4893 -15.4784 -15.4784 -15.4754 -15.4754 -12.9969 -12.9969 -12.9419 -12.9419 -12.9290 -12.9290 -12.9278 -12.9278 -12.9102 -12.9102 -12.8928 -12.8928 -10.5356 -10.5356 -9.2206 -9.2206 -5.1602 -5.1602 -3.7814 -3.7814 -1.1151 -1.1151 -0.5766 -0.5766 0.2618 0.2618 0.4830 0.4830 1.3992 1.3992 1.9309 1.9309 3.4454 3.4454 5.0815 5.0815 5.6991 5.6991 6.3864 6.3864 k = 0.1197 0.1204-0.0000 ( 7412 PWs) bands (ev): -15.4972 -15.4972 -15.4892 -15.4892 -15.4782 -15.4782 -15.4753 -15.4753 -12.9958 -12.9958 -12.9416 -12.9416 -12.9285 -12.9285 -12.9272 -12.9272 -12.9109 -12.9109 -12.8938 -12.8938 -10.5101 -10.5101 -9.2121 -9.2121 -5.1965 -5.1965 -3.8362 -3.8362 -1.1035 -1.1035 -0.6110 -0.6110 0.3510 0.3510 0.4533 0.4533 1.4810 1.4810 1.9021 1.9021 3.4810 3.4810 5.0978 5.0978 5.5956 5.5956 6.3087 6.3087 k = 0.1289 0.1296-0.0000 ( 7408 PWs) bands (ev): -15.4970 -15.4970 -15.4890 -15.4890 -15.4781 -15.4781 -15.4751 -15.4751 -12.9947 -12.9947 -12.9412 -12.9412 -12.9280 -12.9280 -12.9265 -12.9265 -12.9116 -12.9116 -12.8948 -12.8948 -10.4827 -10.4827 -9.2031 -9.2031 -5.2325 -5.2325 -3.8922 -3.8922 -1.0904 -1.0904 -0.6466 -0.6466 0.4151 0.4151 0.4493 0.4493 1.5573 1.5573 1.8733 1.8733 3.5181 3.5181 5.1102 5.1102 5.4996 5.4996 6.2197 6.2197 k = 0.1381 0.1389-0.0000 ( 7404 PWs) bands (ev): -15.4968 -15.4968 -15.4889 -15.4889 -15.4781 -15.4781 -15.4750 -15.4750 -12.9936 -12.9936 -12.9409 -12.9409 -12.9278 -12.9278 -12.9257 -12.9257 -12.9124 -12.9124 -12.8958 -12.8958 -10.4534 -10.4534 -9.1938 -9.1938 -5.2676 -5.2676 -3.9491 -3.9491 -1.0768 -1.0768 -0.6820 -0.6820 0.3826 0.3826 0.5416 0.5416 1.6235 1.6235 1.8465 1.8465 3.5565 3.5565 5.1148 5.1148 5.4170 5.4170 6.1219 6.1219 k = 0.1473 0.1482-0.0000 ( 7410 PWs) bands (ev): -15.4966 -15.4966 -15.4887 -15.4887 -15.4780 -15.4780 -15.4748 -15.4748 -12.9925 -12.9925 -12.9406 -12.9406 -12.9276 -12.9276 -12.9248 -12.9248 -12.9131 -12.9131 -12.8968 -12.8968 -10.4222 -10.4222 -9.1841 -9.1841 -5.3016 -5.3016 -4.0063 -4.0063 -1.0639 -1.0639 -0.7157 -0.7157 0.3452 0.3452 0.6376 0.6376 1.6730 1.6730 1.8256 1.8256 3.5960 3.5960 5.1057 5.1057 5.3542 5.3542 6.0200 6.0200 k = 0.1565 0.1574-0.0000 ( 7414 PWs) bands (ev): -15.4965 -15.4965 -15.4885 -15.4885 -15.4779 -15.4779 -15.4747 -15.4747 -12.9914 -12.9914 -12.9404 -12.9404 -12.9277 -12.9277 -12.9240 -12.9240 -12.9136 -12.9136 -12.8978 -12.8978 -10.3891 -10.3891 -9.1743 -9.1743 -5.3338 -5.3338 -4.0634 -4.0634 -1.0541 -1.0541 -0.7451 -0.7451 0.3057 0.3057 0.7334 0.7334 1.6960 1.6960 1.8177 1.8177 3.6365 3.6365 5.0798 5.0798 5.3134 5.3134 5.9210 5.9210 k = 0.1657 0.1667-0.0000 ( 7418 PWs) bands (ev): -15.4963 -15.4963 -15.4883 -15.4883 -15.4779 -15.4779 -15.4745 -15.4745 -12.9904 -12.9904 -12.9403 -12.9403 -12.9280 -12.9280 -12.9231 -12.9231 -12.9141 -12.9141 -12.8987 -12.8987 -10.3542 -10.3542 -9.1642 -9.1642 -5.3641 -5.3641 -4.1202 -4.1202 -1.0508 -1.0508 -0.7666 -0.7666 0.2645 0.2645 0.8270 0.8270 1.6911 1.6911 1.8218 1.8218 3.6781 3.6781 5.0423 5.0423 5.2863 5.2863 5.8341 5.8341 k = 0.1749 0.1759-0.0000 ( 7426 PWs) bands (ev): -15.4961 -15.4961 -15.4881 -15.4881 -15.4779 -15.4779 -15.4744 -15.4744 -12.9895 -12.9895 -12.9403 -12.9403 -12.9285 -12.9285 -12.9222 -12.9222 -12.9143 -12.9143 -12.8996 -12.8996 -10.3176 -10.3176 -9.1540 -9.1540 -5.3921 -5.3921 -4.1763 -4.1763 -1.0575 -1.0575 -0.7766 -0.7766 0.2220 0.2220 0.9163 0.9163 1.6724 1.6724 1.8222 1.8222 3.7206 3.7206 5.0008 5.0008 5.2603 5.2603 5.7698 5.7698 k = 0.1841 0.1852-0.0000 ( 7420 PWs) bands (ev): -15.4960 -15.4960 -15.4879 -15.4879 -15.4779 -15.4779 -15.4743 -15.4743 -12.9886 -12.9886 -12.9404 -12.9404 -12.9293 -12.9293 -12.9214 -12.9214 -12.9142 -12.9142 -12.9004 -12.9004 -10.2792 -10.2792 -9.1438 -9.1438 -5.4173 -5.4173 -4.2314 -4.2314 -1.0762 -1.0762 -0.7730 -0.7730 0.1782 0.1782 0.9986 0.9986 1.6508 1.6508 1.8076 1.8076 3.7634 3.7634 4.9572 4.9572 5.2313 5.2313 5.7355 5.7355 k = 0.1933 0.1944-0.0000 ( 7424 PWs) bands (ev): -15.4959 -15.4959 -15.4877 -15.4877 -15.4780 -15.4780 -15.4741 -15.4741 -12.9878 -12.9878 -12.9408 -12.9408 -12.9302 -12.9302 -12.9207 -12.9207 -12.9140 -12.9140 -12.9011 -12.9011 -10.2393 -10.2393 -9.1337 -9.1337 -5.4396 -5.4396 -4.2852 -4.2852 -1.1053 -1.1053 -0.7573 -0.7573 0.1334 0.1334 1.0701 1.0701 1.6311 1.6311 1.7747 1.7747 3.8045 3.8045 4.9095 4.9095 5.2070 5.2070 5.7306 5.7306 k = 0.2026 0.2037-0.0000 ( 7426 PWs) bands (ev): -15.4957 -15.4957 -15.4875 -15.4875 -15.4781 -15.4781 -15.4740 -15.4740 -12.9871 -12.9871 -12.9415 -12.9415 -12.9311 -12.9311 -12.9201 -12.9201 -12.9135 -12.9135 -12.9016 -12.9016 -10.1977 -10.1977 -9.1237 -9.1237 -5.4588 -5.4588 -4.3375 -4.3375 -1.1422 -1.1422 -0.7321 -0.7321 0.0879 0.0879 1.1265 1.1265 1.6143 1.6143 1.7261 1.7261 3.8402 3.8402 4.8589 4.8589 5.1973 5.1973 5.7494 5.7494 k = 0.2118 0.2130-0.0000 ( 7406 PWs) bands (ev): -15.4956 -15.4956 -15.4872 -15.4872 -15.4782 -15.4782 -15.4739 -15.4739 -12.9866 -12.9866 -12.9426 -12.9426 -12.9319 -12.9319 -12.9196 -12.9196 -12.9129 -12.9129 -12.9019 -12.9019 -10.1547 -10.1547 -9.1138 -9.1138 -5.4744 -5.4744 -4.3880 -4.3880 -1.1839 -1.1839 -0.7003 -0.7003 0.0418 0.0418 1.1636 1.1636 1.5868 1.5868 1.6794 1.6794 3.8652 3.8652 4.8143 4.8143 5.2051 5.2051 5.7859 5.7859 k = 0.2210 0.2222-0.0000 ( 7402 PWs) bands (ev): -15.4955 -15.4955 -15.4870 -15.4870 -15.4783 -15.4783 -15.4738 -15.4738 -12.9862 -12.9862 -12.9440 -12.9440 -12.9325 -12.9325 -12.9193 -12.9193 -12.9121 -12.9121 -12.9021 -12.9021 -10.1104 -10.1104 -9.1043 -9.1043 -5.4865 -5.4865 -4.4365 -4.4365 -1.2288 -1.2288 -0.6636 -0.6636 -0.0047 -0.0047 1.1790 1.1790 1.5185 1.5185 1.6672 1.6672 3.8735 3.8735 4.7885 4.7885 5.2271 5.2271 5.8361 5.8361 k = 0.2302 0.2315-0.0000 ( 7406 PWs) bands (ev): -15.4955 -15.4955 -15.4868 -15.4868 -15.4785 -15.4785 -15.4737 -15.4737 -12.9859 -12.9859 -12.9459 -12.9459 -12.9330 -12.9330 -12.9192 -12.9192 -12.9112 -12.9112 -12.9019 -12.9019 -10.0647 -10.0647 -9.0950 -9.0950 -5.4947 -5.4947 -4.4828 -4.4828 -1.2755 -1.2755 -0.6234 -0.6234 -0.0513 -0.0513 1.1737 1.1737 1.4206 1.4206 1.6777 1.6777 3.8626 3.8626 4.7907 4.7907 5.2584 5.2584 5.8979 5.8979 k = 0.2394 0.2407-0.0000 ( 7406 PWs) bands (ev): -15.4954 -15.4954 -15.4866 -15.4866 -15.4787 -15.4787 -15.4736 -15.4736 -12.9859 -12.9859 -12.9480 -12.9480 -12.9334 -12.9334 -12.9193 -12.9193 -12.9102 -12.9102 -12.9016 -12.9016 -10.0179 -10.0179 -9.0862 -9.0862 -5.4990 -5.4990 -4.5269 -4.5269 -1.3232 -1.3232 -0.5806 -0.5806 -0.0979 -0.0979 1.1474 1.1474 1.3127 1.3127 1.6915 1.6915 3.8361 3.8361 4.8226 4.8226 5.2948 5.2948 5.9698 5.9698 k = 0.2486 0.2500-0.0000 ( 7408 PWs) bands (ev): -15.4954 -15.4954 -15.4864 -15.4864 -15.4790 -15.4790 -15.4736 -15.4736 -12.9860 -12.9860 -12.9504 -12.9504 -12.9337 -12.9337 -12.9194 -12.9194 -12.9092 -12.9092 -12.9011 -12.9011 -9.9700 -9.9700 -9.0778 -9.0778 -5.4992 -5.4992 -4.5684 -4.5684 -1.3713 -1.3713 -0.5362 -0.5362 -0.1441 -0.1441 1.0882 1.0882 1.2168 1.2168 1.6983 1.6983 3.8024 3.8024 4.8794 4.8794 5.3327 5.3327 6.0509 6.0509 k = 0.2578 0.2593-0.0000 ( 7404 PWs) bands (ev): -15.4954 -15.4954 -15.4861 -15.4861 -15.4792 -15.4792 -15.4735 -15.4735 -12.9864 -12.9864 -12.9529 -12.9529 -12.9340 -12.9340 -12.9197 -12.9197 -12.9081 -12.9081 -12.9004 -12.9004 -9.9213 -9.9213 -9.0700 -9.0700 -5.4953 -5.4953 -4.6073 -4.6073 -1.4195 -1.4195 -0.4911 -0.4911 -0.1892 -0.1892 0.9815 0.9815 1.1541 1.1541 1.6914 1.6914 3.7711 3.7711 4.9543 4.9543 5.3701 5.3701 6.1396 6.1396 k = 0.2670 0.2685-0.0000 ( 7406 PWs) bands (ev): -15.4954 -15.4954 -15.4859 -15.4859 -15.4796 -15.4796 -15.4735 -15.4735 -12.9870 -12.9870 -12.9556 -12.9556 -12.9342 -12.9342 -12.9200 -12.9200 -12.9070 -12.9070 -12.8995 -12.8995 -9.8718 -9.8718 -9.0626 -9.0626 -5.4872 -5.4872 -4.6435 -4.6435 -1.4674 -1.4674 -0.4472 -0.4472 -0.2319 -0.2319 0.8478 0.8478 1.1087 1.1087 1.6667 1.6667 3.7502 3.7502 5.0404 5.0404 5.4057 5.4057 6.2342 6.2342 k = 0.2762 0.2778-0.0000 ( 7404 PWs) bands (ev): -15.4954 -15.4954 -15.4857 -15.4857 -15.4799 -15.4799 -15.4734 -15.4734 -12.9878 -12.9878 -12.9583 -12.9583 -12.9344 -12.9344 -12.9203 -12.9203 -12.9058 -12.9058 -12.8986 -12.8986 -9.8216 -9.8216 -9.0559 -9.0559 -5.4749 -5.4749 -4.6768 -4.6768 -1.5147 -1.5147 -0.4100 -0.4100 -0.2674 -0.2674 0.7040 0.7040 1.0669 1.0669 1.6224 1.6224 3.7443 3.7443 5.1319 5.1319 5.4398 5.4398 6.3318 6.3318 k = 0.2854 0.2870-0.0000 ( 7396 PWs) bands (ev): -15.4954 -15.4954 -15.4855 -15.4855 -15.4803 -15.4803 -15.4734 -15.4734 -12.9889 -12.9889 -12.9610 -12.9610 -12.9346 -12.9346 -12.9206 -12.9206 -12.9047 -12.9047 -12.8976 -12.8976 -9.7711 -9.7711 -9.0497 -9.0497 -5.4584 -5.4584 -4.7071 -4.7071 -1.5612 -1.5612 -0.3959 -0.3959 -0.2800 -0.2800 0.5566 0.5566 1.0250 1.0250 1.5593 1.5593 3.7556 3.7556 5.2226 5.2226 5.4745 5.4745 6.4290 6.4290 k = 0.2946 0.2963-0.0000 ( 7390 PWs) bands (ev): -15.4955 -15.4955 -15.4853 -15.4853 -15.4807 -15.4807 -15.4734 -15.4734 -12.9901 -12.9901 -12.9638 -12.9638 -12.9348 -12.9348 -12.9209 -12.9209 -12.9035 -12.9035 -12.8966 -12.8966 -9.7203 -9.7203 -9.0442 -9.0442 -5.4378 -5.4378 -4.7343 -4.7343 -1.6069 -1.6069 -0.4181 -0.4181 -0.2578 -0.2578 0.4094 0.4094 0.9817 0.9817 1.4798 1.4798 3.7837 3.7837 5.3046 5.3046 5.5148 5.5148 6.5204 6.5204 k = 0.3038 0.3056-0.0000 ( 7386 PWs) bands (ev): -15.4956 -15.4956 -15.4851 -15.4851 -15.4811 -15.4811 -15.4733 -15.4733 -12.9916 -12.9916 -12.9666 -12.9666 -12.9349 -12.9349 -12.9211 -12.9211 -12.9023 -12.9023 -12.8955 -12.8955 -9.6694 -9.6694 -9.0393 -9.0393 -5.4132 -5.4132 -4.7584 -4.7584 -1.6514 -1.6514 -0.4585 -0.4585 -0.2220 -0.2220 0.2666 0.2666 0.9360 0.9360 1.3879 1.3879 3.8268 3.8268 5.3680 5.3680 5.5686 5.5686 6.5989 6.5989 k = 0.3130 0.3148-0.0000 ( 7394 PWs) bands (ev): -15.4957 -15.4957 -15.4849 -15.4849 -15.4815 -15.4815 -15.4733 -15.4733 -12.9933 -12.9933 -12.9694 -12.9694 -12.9350 -12.9350 -12.9213 -12.9213 -12.9012 -12.9012 -12.8945 -12.8945 -9.6186 -9.6186 -9.0350 -9.0350 -5.3846 -5.3846 -4.7794 -4.7794 -1.6947 -1.6947 -0.5062 -0.5062 -0.1908 -0.1908 0.1365 0.1365 0.8862 0.8862 1.2887 1.2887 3.8827 3.8827 5.4084 5.4084 5.6388 5.6388 6.6570 6.6570 k = 0.3222 0.3241-0.0000 ( 7384 PWs) bands (ev): -15.4958 -15.4958 -15.4847 -15.4847 -15.4820 -15.4820 -15.4733 -15.4733 -12.9951 -12.9951 -12.9723 -12.9723 -12.9350 -12.9350 -12.9214 -12.9214 -12.9000 -12.9000 -12.8934 -12.8934 -9.5682 -9.5682 -9.0312 -9.0312 -5.3523 -5.3523 -4.7970 -4.7970 -1.7367 -1.7367 -0.5597 -0.5597 -0.1887 -0.1887 0.0427 0.0427 0.8295 0.8295 1.1885 1.1885 3.9488 3.9488 5.4315 5.4315 5.7186 5.7186 6.6938 6.6938 k = 0.3315 0.3333-0.0000 ( 7382 PWs) bands (ev): -15.4959 -15.4959 -15.4845 -15.4845 -15.4824 -15.4824 -15.4733 -15.4733 -12.9970 -12.9970 -12.9751 -12.9751 -12.9350 -12.9350 -12.9215 -12.9215 -12.8989 -12.8989 -12.8923 -12.8923 -9.5184 -9.5184 -9.0281 -9.0281 -5.3164 -5.3164 -4.8114 -4.8114 -1.7772 -1.7772 -0.6208 -0.6208 -0.2476 -0.2476 0.0189 0.0189 0.7622 0.7622 1.0945 1.0945 4.0229 4.0229 5.4443 5.4443 5.8001 5.8001 6.7153 6.7153 k = 0.3407 0.3426-0.0000 ( 7382 PWs) bands (ev): -15.4960 -15.4960 -15.4844 -15.4844 -15.4829 -15.4829 -15.4733 -15.4733 -12.9989 -12.9989 -12.9779 -12.9779 -12.9350 -12.9350 -12.9215 -12.9215 -12.8979 -12.8979 -12.8913 -12.8913 -9.4693 -9.4693 -9.0254 -9.0254 -5.2773 -5.2773 -4.8226 -4.8226 -1.8161 -1.8161 -0.6933 -0.6933 -0.3391 -0.3391 0.0406 0.0406 0.6813 0.6813 1.0129 1.0129 4.1030 4.1030 5.4512 5.4512 5.8784 5.8784 6.7268 6.7268 k = 0.3499 0.3519-0.0000 ( 7374 PWs) bands (ev): -15.4962 -15.4962 -15.4843 -15.4843 -15.4833 -15.4833 -15.4733 -15.4733 -13.0009 -13.0009 -12.9807 -12.9807 -12.9349 -12.9349 -12.9216 -12.9216 -12.8968 -12.8968 -12.8903 -12.8903 -9.4212 -9.4212 -9.0233 -9.0233 -5.2352 -5.2352 -4.8305 -4.8305 -1.8534 -1.8534 -0.7809 -0.7809 -0.4268 -0.4268 0.0733 0.0733 0.5884 0.5884 0.9464 0.9464 4.1874 4.1874 5.4543 5.4543 5.9511 5.9511 6.7311 6.7311 k = 0.3591 0.3611-0.0000 ( 7372 PWs) bands (ev): -15.4963 -15.4963 -15.4845 -15.4845 -15.4835 -15.4835 -15.4733 -15.4733 -13.0029 -13.0029 -12.9835 -12.9835 -12.9348 -12.9348 -12.9216 -12.9216 -12.8958 -12.8958 -12.8893 -12.8893 -9.3745 -9.3745 -9.0217 -9.0217 -5.1905 -5.1905 -4.8352 -4.8352 -1.8889 -1.8889 -0.8837 -0.8837 -0.4996 -0.4996 0.1017 0.1017 0.4921 0.4921 0.8930 0.8930 4.2747 4.2747 5.4551 5.4551 6.0169 6.0169 6.7301 6.7301 k = 0.3683 0.3704-0.0000 ( 7376 PWs) bands (ev): -15.4964 -15.4964 -15.4848 -15.4848 -15.4835 -15.4835 -15.4734 -15.4734 -13.0048 -13.0048 -12.9863 -12.9863 -12.9347 -12.9347 -12.9215 -12.9215 -12.8949 -12.8949 -12.8883 -12.8883 -9.3292 -9.3292 -9.0204 -9.0204 -5.1436 -5.1436 -4.8369 -4.8369 -1.9227 -1.9227 -0.9973 -0.9973 -0.5580 -0.5580 0.1101 0.1101 0.4098 0.4098 0.8493 0.8493 4.3637 4.3637 5.4545 5.4545 6.0755 6.0755 6.7252 6.7252 k = 0.3775 0.3796-0.0000 ( 7376 PWs) bands (ev): -15.4966 -15.4966 -15.4853 -15.4853 -15.4834 -15.4834 -15.4734 -15.4734 -13.0067 -13.0067 -12.9890 -12.9890 -12.9345 -12.9345 -12.9215 -12.9215 -12.8940 -12.8940 -12.8874 -12.8874 -9.2856 -9.2856 -9.0195 -9.0195 -5.0948 -5.0948 -4.8356 -4.8356 -1.9546 -1.9546 -1.1163 -1.1163 -0.6057 -0.6057 0.0751 0.0751 0.3676 0.3676 0.8123 0.8123 4.4531 4.4531 5.4531 5.4531 6.1271 6.1271 6.7181 6.7181 k = 0.3867 0.3889-0.0000 ( 7368 PWs) bands (ev): -15.4967 -15.4967 -15.4858 -15.4858 -15.4833 -15.4833 -15.4734 -15.4734 -13.0085 -13.0085 -12.9917 -12.9917 -12.9344 -12.9344 -12.9215 -12.9215 -12.8931 -12.8931 -12.8866 -12.8866 -9.2440 -9.2440 -9.0189 -9.0189 -5.0449 -5.0449 -4.8316 -4.8316 -1.9845 -1.9845 -1.2363 -1.2363 -0.6459 -0.6459 -0.0052 -0.0052 0.3698 0.3698 0.7803 0.7803 4.5420 4.5420 5.4514 5.4514 6.1724 6.1724 6.7098 6.7098 k = 0.3959 0.3982-0.0000 ( 7368 PWs) bands (ev): -15.4968 -15.4968 -15.4863 -15.4863 -15.4832 -15.4832 -15.4734 -15.4734 -13.0101 -13.0101 -12.9943 -12.9943 -12.9342 -12.9342 -12.9214 -12.9214 -12.8924 -12.8924 -12.8858 -12.8858 -9.2047 -9.2047 -9.0186 -9.0186 -4.9942 -4.9942 -4.8251 -4.8251 -2.0125 -2.0125 -1.3543 -1.3543 -0.6805 -0.6805 -0.1069 -0.1069 0.3942 0.3942 0.7522 0.7522 4.6294 4.6294 5.4497 5.4497 6.2122 6.2122 6.7013 6.7013 k = 0.4051 0.4074-0.0000 ( 7368 PWs) bands (ev): -15.4969 -15.4969 -15.4868 -15.4868 -15.4831 -15.4831 -15.4734 -15.4734 -13.0116 -13.0116 -12.9969 -12.9969 -12.9340 -12.9340 -12.9214 -12.9214 -12.8916 -12.8916 -12.8850 -12.8850 -9.1678 -9.1678 -9.0185 -9.0185 -4.9436 -4.9436 -4.8163 -4.8163 -2.0384 -2.0384 -1.4681 -1.4681 -0.7108 -0.7108 -0.2143 -0.2143 0.4263 0.4263 0.7272 0.7272 4.7144 4.7144 5.4481 5.4481 6.2477 6.2477 6.6931 6.6931 k = 0.4143 0.4167-0.0000 ( 7368 PWs) bands (ev): -15.4970 -15.4970 -15.4872 -15.4872 -15.4830 -15.4830 -15.4734 -15.4734 -13.0129 -13.0129 -12.9993 -12.9993 -12.9338 -12.9338 -12.9213 -12.9213 -12.8910 -12.8910 -12.8843 -12.8843 -9.1336 -9.1336 -9.0186 -9.0186 -4.8936 -4.8936 -4.8058 -4.8058 -2.0622 -2.0622 -1.5763 -1.5763 -0.7374 -0.7374 -0.3204 -0.3204 0.4602 0.4602 0.7052 0.7052 4.7959 4.7959 5.4466 5.4466 6.2801 6.2801 6.6857 6.6857 k = 0.4235 0.4259-0.0000 ( 7362 PWs) bands (ev): -15.4971 -15.4971 -15.4877 -15.4877 -15.4829 -15.4829 -15.4734 -15.4734 -13.0141 -13.0141 -13.0016 -13.0016 -12.9336 -12.9336 -12.9212 -12.9212 -12.8904 -12.8904 -12.8837 -12.8837 -9.1022 -9.1022 -9.0187 -9.0187 -4.8451 -4.8451 -4.7938 -4.7938 -2.0839 -2.0839 -1.6774 -1.6774 -0.7609 -0.7609 -0.4216 -0.4216 0.4933 0.4933 0.6858 0.6858 4.8730 4.8730 5.4453 5.4453 6.3105 6.3105 6.6794 6.6794 k = 0.4327 0.4352-0.0000 ( 7358 PWs) bands (ev): -15.4971 -15.4971 -15.4881 -15.4881 -15.4829 -15.4829 -15.4734 -15.4734 -13.0150 -13.0150 -13.0038 -13.0038 -12.9334 -12.9334 -12.9212 -12.9212 -12.8898 -12.8898 -12.8831 -12.8831 -9.0740 -9.0740 -9.0189 -9.0189 -4.7991 -4.7991 -4.7809 -4.7809 -2.1034 -2.1034 -1.7704 -1.7704 -0.7816 -0.7816 -0.5159 -0.5159 0.5242 0.5242 0.6689 0.6689 4.9449 4.9449 5.4438 5.4438 6.3400 6.3400 6.6743 6.6743 k = 0.4419 0.4445-0.0000 ( 7356 PWs) bands (ev): -15.4972 -15.4972 -15.4885 -15.4885 -15.4828 -15.4828 -15.4734 -15.4734 -13.0158 -13.0158 -13.0059 -13.0059 -12.9333 -12.9333 -12.9211 -12.9211 -12.8894 -12.8894 -12.8826 -12.8826 -9.0492 -9.0492 -9.0189 -9.0189 -4.7685 -4.7685 -4.7555 -4.7555 -2.1206 -2.1206 -1.8543 -1.8543 -0.7996 -0.7996 -0.6013 -0.6013 0.5521 0.5521 0.6547 0.6547 5.0107 5.0107 5.4418 5.4418 6.3693 6.3693 6.6708 6.6708 k = 0.4511 0.4537-0.0000 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4888 -15.4888 -15.4827 -15.4827 -15.4734 -15.4734 -13.0163 -13.0163 -13.0078 -13.0078 -12.9331 -12.9331 -12.9211 -12.9211 -12.8890 -12.8890 -12.8822 -12.8822 -9.0291 -9.0291 -9.0177 -9.0177 -4.7554 -4.7554 -4.7168 -4.7168 -2.1356 -2.1356 -1.9279 -1.9279 -0.8151 -0.8151 -0.6766 -0.6766 0.5758 0.5758 0.6434 0.6434 5.0695 5.0695 5.4391 5.4391 6.3988 6.3988 6.6691 6.6691 k = 0.4604 0.4630-0.0000 ( 7358 PWs) bands (ev): -15.4973 -15.4973 -15.4891 -15.4891 -15.4827 -15.4827 -15.4734 -15.4734 -13.0166 -13.0166 -13.0095 -13.0095 -12.9330 -12.9330 -12.9210 -12.9210 -12.8886 -12.8886 -12.8819 -12.8819 -9.0219 -9.0219 -9.0071 -9.0071 -4.7436 -4.7436 -4.6830 -4.6830 -2.1483 -2.1483 -1.9904 -1.9904 -0.8287 -0.8287 -0.7401 -0.7401 0.5940 0.5940 0.6362 0.6362 5.1208 5.1208 5.4354 5.4354 6.4280 6.4280 6.6695 6.6695 k = 0.4696 0.4722-0.0000 ( 7352 PWs) bands (ev): -15.4973 -15.4973 -15.4894 -15.4894 -15.4826 -15.4826 -15.4734 -15.4734 -13.0167 -13.0167 -13.0110 -13.0110 -12.9329 -12.9329 -12.9210 -12.9210 -12.8884 -12.8884 -12.8816 -12.8816 -9.0214 -9.0214 -8.9934 -8.9934 -4.7334 -4.7334 -4.6550 -4.6550 -2.1585 -2.1585 -2.0408 -2.0408 -0.8413 -0.8413 -0.7896 -0.7896 0.6037 0.6037 0.6355 0.6355 5.1638 5.1638 5.4308 5.4308 6.4557 6.4557 6.6725 6.6725 k = 0.4788 0.4815-0.0000 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4896 -15.4896 -15.4826 -15.4826 -15.4734 -15.4734 -13.0166 -13.0166 -13.0123 -13.0123 -12.9328 -12.9328 -12.9210 -12.9210 -12.8882 -12.8882 -12.8814 -12.8814 -9.0214 -9.0214 -8.9828 -8.9828 -4.7253 -4.7253 -4.6337 -4.6337 -2.1664 -2.1664 -2.0785 -2.0785 -0.8561 -0.8561 -0.8215 -0.8215 0.6051 0.6051 0.6409 0.6409 5.1975 5.1975 5.4256 5.4256 6.4796 6.4796 6.6783 6.6783 k = 0.4880 0.4907-0.0000 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0164 -13.0164 -13.0133 -13.0133 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9759 -8.9759 -4.7198 -4.7198 -4.6196 -4.6196 -2.1717 -2.1717 -2.1029 -2.1029 -0.8724 -0.8724 -0.8355 -0.8355 0.6038 0.6038 0.6468 0.6468 5.2206 5.2206 5.4211 5.4211 6.4967 6.4967 6.6854 6.6854 k = 0.4972 0.5000-0.0000 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6028 0.6028 0.6498 0.6498 5.2314 5.2314 5.4185 5.4185 6.5047 6.5047 6.6902 6.6902 k = 0.4972 0.5000-0.0000 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6028 0.6028 0.6498 0.6498 5.2314 5.2314 5.4185 5.4185 6.5047 6.5047 6.6902 6.6902 k = 0.4841 0.5000-0.0000 ( 7357 PWs) bands (ev): -15.4975 -15.4972 -15.4898 -15.4895 -15.4826 -15.4826 -15.4735 -15.4734 -13.0168 -13.0160 -13.0138 -13.0130 -12.9330 -12.9326 -12.9211 -12.9208 -12.8881 -12.8880 -12.8813 -12.8811 -9.0224 -9.0224 -8.9746 -8.9746 -4.7211 -4.7200 -4.6178 -4.6178 -2.1717 -2.1671 -2.1115 -2.1023 -0.8752 -0.8751 -0.8358 -0.8326 0.6020 0.6029 0.6481 0.6486 5.2028 5.2417 5.3989 5.4420 6.4824 6.5145 6.6554 6.7206 k = 0.4710 0.5000-0.0000 ( 7362 PWs) bands (ev): -15.4976 -15.4970 -15.4899 -15.4893 -15.4826 -15.4826 -15.4735 -15.4734 -13.0172 -13.0161 -13.0130 -13.0119 -12.9332 -12.9324 -12.9213 -12.9206 -12.8883 -12.8880 -12.8815 -12.8812 -9.0252 -9.0252 -8.9783 -8.9783 -4.7298 -4.7276 -4.6279 -4.6279 -2.1610 -2.1519 -2.1016 -2.0833 -0.8616 -0.8605 -0.8218 -0.8162 0.5999 0.6018 0.6452 0.6462 5.1669 5.2332 5.3883 5.4623 6.4571 6.5086 6.6303 6.7404 k = 0.4579 0.5000-0.0000 ( 7368 PWs) bands (ev): -15.4978 -15.4968 -15.4899 -15.4890 -15.4827 -15.4826 -15.4735 -15.4733 -13.0174 -13.0161 -13.0118 -13.0105 -12.9335 -12.9323 -12.9215 -12.9205 -12.8886 -12.8881 -12.8818 -12.8813 -9.0298 -9.0298 -8.9839 -8.9839 -4.7432 -4.7400 -4.6433 -4.6433 -2.1422 -2.1288 -2.0839 -2.0569 -0.8407 -0.8380 -0.7980 -0.7909 0.5966 0.5994 0.6412 0.6427 5.1259 5.2063 5.3865 5.4768 6.4312 6.4849 6.6192 6.7471 k = 0.4448 0.5000-0.0000 ( 7368 PWs) bands (ev): -15.4979 -15.4966 -15.4898 -15.4886 -15.4828 -15.4826 -15.4736 -15.4733 -13.0173 -13.0161 -13.0102 -13.0089 -12.9337 -12.9322 -12.9217 -12.9204 -12.8889 -12.8883 -12.8821 -12.8815 -9.0362 -9.0362 -8.9913 -8.9913 -4.7610 -4.7570 -4.6637 -4.6636 -2.1155 -2.0982 -2.0587 -2.0234 -0.8124 -0.8075 -0.7650 -0.7571 0.5919 0.5959 0.6361 0.6383 5.0810 5.1669 5.3879 5.4841 6.4063 6.4506 6.6157 6.7433 k = 0.4318 0.5000-0.0000 ( 7368 PWs) bands (ev): -15.4979 -15.4964 -15.4897 -15.4882 -15.4828 -15.4826 -15.4736 -15.4733 -13.0171 -13.0159 -13.0084 -13.0072 -12.9340 -12.9321 -12.9219 -12.9203 -12.8893 -12.8886 -12.8826 -12.8817 -9.0444 -9.0443 -9.0005 -9.0005 -4.7829 -4.7782 -4.6886 -4.6885 -2.0814 -2.0606 -2.0259 -1.9832 -0.7767 -0.7694 -0.7234 -0.7149 0.5860 0.5912 0.6299 0.6330 5.0330 5.1201 5.3875 5.4834 6.3833 6.4130 6.6134 6.7329 k = 0.4187 0.5000-0.0000 ( 7365 PWs) bands (ev): -15.4980 -15.4963 -15.4895 -15.4878 -15.4829 -15.4826 -15.4737 -15.4733 -13.0167 -13.0155 -13.0065 -13.0052 -12.9343 -12.9321 -12.9221 -12.9202 -12.8897 -12.8889 -12.8830 -12.8821 -9.0541 -9.0541 -9.0114 -9.0113 -4.8085 -4.8032 -4.7176 -4.7173 -2.0400 -2.0165 -1.9858 -1.9367 -0.7335 -0.7238 -0.6734 -0.6648 0.5789 0.5856 0.6230 0.6270 4.9824 5.0687 5.3827 5.4746 6.3622 6.3754 6.6090 6.7183 k = 0.4056 0.5000-0.0000 ( 7374 PWs) bands (ev): -15.4980 -15.4961 -15.4892 -15.4874 -15.4829 -15.4826 -15.4737 -15.4732 -13.0161 -13.0149 -13.0043 -13.0031 -12.9346 -12.9321 -12.9224 -12.9202 -12.8902 -12.8894 -12.8836 -12.8825 -9.0655 -9.0654 -9.0239 -9.0238 -4.8372 -4.8315 -4.7501 -4.7496 -1.9919 -1.9665 -1.9386 -1.8843 -0.6831 -0.6711 -0.6158 -0.6072 0.5706 0.5790 0.6154 0.6205 4.9297 5.0142 5.3724 5.4579 6.3388 6.3426 6.6013 6.7003 k = 0.3925 0.5000-0.0000 ( 7370 PWs) bands (ev): -15.4980 -15.4959 -15.4890 -15.4869 -15.4830 -15.4826 -15.4737 -15.4732 -13.0153 -13.0141 -13.0019 -13.0008 -12.9349 -12.9321 -12.9226 -12.9201 -12.8908 -12.8898 -12.8842 -12.8829 -9.0783 -9.0783 -9.0378 -9.0377 -4.8687 -4.8627 -4.7855 -4.7848 -1.9374 -1.9112 -1.8844 -1.8262 -0.6259 -0.6118 -0.5508 -0.5423 0.5613 0.5716 0.6073 0.6137 4.8753 4.9575 5.3562 5.4338 6.3033 6.3234 6.5896 6.6793 k = 0.3794 0.5000-0.0000 ( 7372 PWs) bands (ev): -15.4979 -15.4957 -15.4887 -15.4865 -15.4830 -15.4826 -15.4738 -15.4732 -13.0143 -13.0131 -12.9994 -12.9984 -12.9353 -12.9321 -12.9228 -12.9201 -12.8914 -12.8904 -12.8849 -12.8835 -9.0924 -9.0924 -9.0532 -9.0530 -4.9024 -4.8963 -4.8233 -4.8224 -1.8770 -1.8508 -1.8236 -1.7629 -0.5622 -0.5464 -0.4789 -0.4707 0.5509 0.5634 0.5992 0.6070 4.8193 4.8991 5.3343 5.4034 6.2684 6.3033 6.5733 6.6549 k = 0.3663 0.5000-0.0000 ( 7362 PWs) bands (ev): -15.4979 -15.4955 -15.4884 -15.4861 -15.4829 -15.4826 -15.4738 -15.4732 -13.0131 -13.0119 -12.9967 -12.9958 -12.9356 -12.9322 -12.9229 -12.9200 -12.8920 -12.8910 -12.8856 -12.8841 -9.1078 -9.1078 -9.0698 -9.0695 -4.9380 -4.9319 -4.8631 -4.8619 -1.8110 -1.7857 -1.7567 -1.6946 -0.4928 -0.4754 -0.4005 -0.3929 0.5397 0.5547 0.5914 0.6008 4.7620 4.8396 5.3070 5.3675 6.2331 6.2810 6.5520 6.6268 k = 0.3533 0.5000-0.0000 ( 7369 PWs) bands (ev): -15.4978 -15.4953 -15.4881 -15.4858 -15.4828 -15.4825 -15.4738 -15.4732 -13.0117 -13.0106 -12.9939 -12.9932 -12.9359 -12.9324 -12.9231 -12.9200 -12.8926 -12.8916 -12.8863 -12.8847 -9.1244 -9.1242 -9.0875 -9.0872 -4.9750 -4.9689 -4.9042 -4.9027 -1.7398 -1.7159 -1.6843 -1.6218 -0.4184 -0.3997 -0.3161 -0.3095 0.5277 0.5456 0.5843 0.5954 4.7037 4.7790 5.2749 5.3271 6.1967 6.2552 6.5252 6.5944 k = 0.3402 0.5000-0.0000 ( 7381 PWs) bands (ev): -15.4977 -15.4951 -15.4878 -15.4856 -15.4826 -15.4825 -15.4738 -15.4732 -13.0102 -13.0091 -12.9909 -12.9904 -12.9361 -12.9326 -12.9232 -12.9200 -12.8932 -12.8924 -12.8871 -12.8854 -9.1419 -9.1417 -9.1063 -9.1058 -5.0130 -5.0071 -4.9463 -4.9446 -1.6638 -1.6416 -1.6068 -1.5446 -0.3400 -0.3201 -0.2261 -0.2210 0.5151 0.5364 0.5788 0.5917 4.6444 4.7177 5.2386 5.2829 6.1581 6.2250 6.4928 6.5573 k = 0.3271 0.5000-0.0000 ( 7382 PWs) bands (ev): -15.4975 -15.4949 -15.4876 -15.4855 -15.4823 -15.4822 -15.4738 -15.4732 -13.0086 -13.0075 -12.9878 -12.9876 -12.9364 -12.9328 -12.9233 -12.9200 -12.8939 -12.8931 -12.8879 -12.8861 -9.1602 -9.1600 -9.1258 -9.1252 -5.0516 -5.0459 -4.9890 -4.9870 -1.5833 -1.5631 -1.5248 -1.4634 -0.2589 -0.2379 -0.1310 -0.1282 0.5021 0.5275 0.5756 0.5905 4.5843 4.6558 5.1986 5.2358 6.1167 6.1897 6.4543 6.5152 k = 0.3140 0.5000-0.0000 ( 7384 PWs) bands (ev): -15.4973 -15.4947 -15.4874 -15.4856 -15.4821 -15.4817 -15.4737 -15.4731 -13.0069 -13.0057 -12.9847 -12.9847 -12.9366 -12.9331 -12.9233 -12.9199 -12.8946 -12.8939 -12.8888 -12.8869 -9.1792 -9.1789 -9.1461 -9.1454 -5.0906 -5.0851 -5.0319 -5.0296 -1.4985 -1.4804 -1.4386 -1.3784 -0.1766 -0.1547 -0.0322 -0.0313 0.4888 0.5197 0.5761 0.5930 4.5234 4.5933 5.1553 5.1860 6.0719 6.1491 6.4097 6.4678 k = 0.3009 0.5000-0.0000 ( 7380 PWs) bands (ev): -15.4972 -15.4945 -15.4873 -15.4856 -15.4819 -15.4812 -15.4737 -15.4731 -13.0050 -13.0038 -12.9819 -12.9814 -12.9368 -12.9334 -12.9233 -12.9199 -12.8953 -12.8947 -12.8897 -12.8877 -9.1988 -9.1984 -9.1669 -9.1661 -5.1295 -5.1243 -5.0746 -5.0721 -1.4098 -1.3938 -1.3486 -1.2899 -0.0954 -0.0727 0.0653 0.0725 0.4755 0.5143 0.5820 0.6010 4.4619 4.5305 5.1092 5.1341 6.0235 6.1031 6.3590 6.4149 k = 0.2878 0.5000-0.0000 ( 7377 PWs) bands (ev): -15.4969 -15.4942 -15.4872 -15.4858 -15.4816 -15.4807 -15.4736 -15.4731 -13.0030 -13.0018 -12.9790 -12.9781 -12.9369 -12.9338 -12.9232 -12.9198 -12.8959 -12.8955 -12.8906 -12.8886 -9.2187 -9.2183 -9.1881 -9.1872 -5.1682 -5.1633 -5.1170 -5.1143 -1.3176 -1.3037 -1.2550 -1.1981 -0.0181 0.0052 0.1612 0.1798 0.4626 0.5141 0.5958 0.6170 4.3998 4.4674 5.0605 5.0801 5.9714 6.0522 6.3024 6.3567 k = 0.2748 0.5000-0.0000 ( 7377 PWs) bands (ev): -15.4967 -15.4940 -15.4872 -15.4860 -15.4813 -15.4801 -15.4735 -15.4731 -13.0010 -12.9997 -12.9762 -12.9748 -12.9369 -12.9342 -12.9231 -12.9198 -12.8966 -12.8964 -12.8915 -12.8894 -9.2389 -9.2385 -9.2096 -9.2086 -5.2064 -5.2018 -5.1587 -5.1558 -1.2220 -1.2103 -1.1582 -1.1033 0.0519 0.0755 0.2491 0.2890 0.4513 0.5252 0.6208 0.6437 4.3371 4.4039 5.0092 5.0241 5.9161 5.9970 6.2402 6.2934 k = 0.2617 0.5000-0.0000 ( 7367 PWs) bands (ev): -15.4965 -15.4938 -15.4872 -15.4862 -15.4809 -15.4795 -15.4734 -15.4730 -12.9989 -12.9976 -12.9736 -12.9714 -12.9368 -12.9346 -12.9229 -12.9197 -12.8973 -12.8972 -12.8924 -12.8903 -9.2592 -9.2587 -9.2312 -9.2301 -5.2439 -5.2395 -5.1995 -5.1964 -1.1235 -1.1140 -1.0586 -1.0059 0.1114 0.1342 0.3168 0.3903 0.4511 0.5595 0.6603 0.6841 4.2739 4.3403 4.9555 4.9660 5.8583 5.9385 6.1730 6.2255 k = 0.2486 0.5000-0.0000 ( 7358 PWs) bands (ev): -15.4962 -15.4936 -15.4873 -15.4864 -15.4805 -15.4789 -15.4733 -15.4730 -12.9968 -12.9954 -12.9710 -12.9681 -12.9365 -12.9351 -12.9227 -12.9196 -12.8981 -12.8978 -12.8933 -12.8911 -9.2795 -9.2789 -9.2527 -9.2516 -5.2804 -5.2763 -5.2392 -5.2360 -1.0224 -1.0152 -0.9564 -0.9062 0.1581 0.1793 0.3547 0.4144 0.5310 0.6261 0.7163 0.7399 4.2103 4.2766 4.8993 4.9058 5.7987 5.8778 6.1014 6.1535 k = 0.2355 0.5000-0.0000 ( 7364 PWs) bands (ev): -15.4960 -15.4934 -15.4874 -15.4866 -15.4800 -15.4783 -15.4732 -15.4730 -12.9946 -12.9931 -12.9687 -12.9648 -12.9361 -12.9356 -12.9223 -12.9195 -12.8990 -12.8984 -12.8943 -12.8920 -9.2996 -9.2990 -9.2741 -9.2729 -5.3158 -5.3119 -5.2776 -5.2744 -0.9191 -0.9144 -0.8520 -0.8046 0.1923 0.2109 0.3700 0.4070 0.6449 0.7170 0.7882 0.8104 4.1464 4.2128 4.8403 4.8432 5.7387 5.8161 6.0263 6.0782 k = 0.2224 0.5000-0.0000 ( 7368 PWs) bands (ev): -15.4957 -15.4932 -15.4875 -15.4869 -15.4796 -15.4777 -15.4731 -15.4729 -12.9925 -12.9908 -12.9666 -12.9617 -12.9360 -12.9355 -12.9220 -12.9193 -12.8998 -12.8989 -12.8952 -12.8929 -9.3193 -9.3188 -9.2952 -9.2939 -5.3500 -5.3463 -5.3147 -5.3113 -0.8142 -0.8121 -0.7460 -0.7016 0.2160 0.2318 0.3750 0.3987 0.7619 0.8190 0.8735 0.8930 4.0824 4.1493 4.7781 4.7785 5.6793 5.7550 5.9486 6.0005 k = 0.2093 0.5000-0.0000 ( 7373 PWs) bands (ev): -15.4954 -15.4930 -15.4877 -15.4871 -15.4791 -15.4772 -15.4730 -15.4729 -12.9903 -12.9886 -12.9649 -12.9586 -12.9364 -12.9346 -12.9216 -12.9192 -12.9007 -12.8994 -12.8962 -12.8937 -9.3387 -9.3381 -9.3159 -9.3145 -5.3827 -5.3793 -5.3502 -5.3468 -0.7091 -0.7083 -0.6389 -0.5980 0.2324 0.2454 0.3766 0.3919 0.8793 0.9240 0.9691 0.9843 4.0184 4.0863 4.7103 4.7138 5.6220 5.6958 5.8693 5.9212 k = 0.1963 0.5000-0.0000 ( 7371 PWs) bands (ev): -15.4952 -15.4929 -15.4879 -15.4874 -15.4786 -15.4766 -15.4728 -15.4728 -12.9882 -12.9863 -12.9634 -12.9558 -12.9367 -12.9336 -12.9211 -12.9190 -12.9015 -12.8999 -12.8971 -12.8945 -9.3574 -9.3569 -9.3360 -9.3346 -5.4139 -5.4107 -5.3840 -5.3806 -0.6062 -0.6022 -0.5315 -0.4946 0.2445 0.2547 0.3784 0.3877 0.9952 1.0277 1.0719 1.0812 3.9550 4.0243 4.6399 4.6464 5.5678 5.6397 5.7894 5.8415 k = 0.1832 0.5000-0.0000 ( 7373 PWs) bands (ev): -15.4949 -15.4927 -15.4881 -15.4876 -15.4782 -15.4761 -15.4727 -15.4727 -12.9861 -12.9840 -12.9622 -12.9533 -12.9367 -12.9323 -12.9206 -12.9187 -12.9023 -12.9003 -12.8980 -12.8953 -9.3755 -9.3750 -9.3555 -9.3540 -5.4435 -5.4404 -5.4161 -5.4126 -0.5049 -0.4972 -0.4250 -0.3928 0.2550 0.2628 0.3827 0.3874 1.1083 1.1285 1.1779 1.1808 3.8927 3.9639 4.5673 4.5767 5.5179 5.5880 5.7102 5.7623 k = 0.1701 0.5000-0.0000 ( 7385 PWs) bands (ev): -15.4946 -15.4926 -15.4883 -15.4879 -15.4777 -15.4756 -15.4726 -15.4726 -12.9841 -12.9818 -12.9614 -12.9513 -12.9365 -12.9308 -12.9200 -12.9185 -12.9031 -12.9007 -12.8989 -12.8960 -9.3928 -9.3923 -9.3741 -9.3726 -5.4713 -5.4684 -5.4464 -5.4428 -0.4066 -0.3948 -0.3211 -0.2944 0.2669 0.2723 0.3914 0.3925 1.2168 1.2257 1.2807 1.2829 3.8324 3.9059 4.4929 4.5054 5.4729 5.5416 5.6328 5.6849 k = 0.1570 0.5000-0.0000 ( 7392 PWs) bands (ev): -15.4944 -15.4924 -15.4885 -15.4882 -15.4772 -15.4752 -15.4726 -15.4724 -12.9822 -12.9796 -12.9608 -12.9498 -12.9358 -12.9292 -12.9194 -12.9182 -12.9038 -12.9010 -12.8998 -12.8967 -9.4092 -9.4087 -9.3919 -9.3904 -5.4973 -5.4945 -5.4747 -5.4712 -0.3136 -0.2975 -0.2226 -0.2022 0.2832 0.2866 0.4053 0.4068 1.3181 1.3189 1.3787 1.3839 3.7751 3.8517 4.4177 4.4335 5.4331 5.5009 5.5586 5.6105 k = 0.1439 0.5000-0.0000 ( 7396 PWs) bands (ev): -15.4941 -15.4923 -15.4887 -15.4884 -15.4768 -15.4747 -15.4725 -15.4723 -12.9804 -12.9775 -12.9605 -12.9490 -12.9346 -12.9276 -12.9188 -12.9180 -12.9045 -12.9013 -12.9006 -12.8974 -9.4245 -9.4241 -9.4087 -9.4071 -5.5215 -5.5187 -5.5010 -5.4975 -0.2287 -0.2083 -0.1336 -0.1201 0.3083 0.3101 0.4284 0.4315 1.4040 1.4130 1.4722 1.4778 3.7223 3.8025 4.3429 4.3623 5.3977 5.4657 5.4898 5.5409 k = 0.1308 0.5000-0.0000 ( 7392 PWs) bands (ev): -15.4938 -15.4921 -15.4889 -15.4887 -15.4763 -15.4743 -15.4724 -15.4722 -12.9786 -12.9754 -12.9604 -12.9488 -12.9329 -12.9259 -12.9182 -12.9177 -12.9052 -12.9015 -12.9015 -12.8979 -9.4388 -9.4385 -9.4244 -9.4229 -5.5436 -5.5409 -5.5253 -5.5218 -0.1548 -0.1310 -0.0597 -0.0525 0.3468 0.3483 0.4647 0.4681 1.4814 1.4975 1.5582 1.5621 3.6759 3.7604 4.2698 4.2934 5.3635 5.4307 5.4327 5.4806 k = 0.1178 0.5000-0.0000 ( 7391 PWs) bands (ev): -15.4936 -15.4920 -15.4891 -15.4890 -15.4759 -15.4740 -15.4723 -15.4722 -12.9769 -12.9734 -12.9604 -12.9491 -12.9311 -12.9242 -12.9176 -12.9174 -12.9058 -12.9023 -12.9017 -12.8985 -9.4519 -9.4516 -9.4390 -9.4374 -5.5637 -5.5611 -5.5474 -5.5440 -0.0940 -0.0688 -0.0051 -0.0025 0.4022 0.4053 0.5161 0.5181 1.5486 1.5709 1.6335 1.6337 3.6379 3.7271 4.1999 4.2283 5.3232 5.3891 5.3911 5.4412 k = 0.1047 0.5000-0.0000 ( 7389 PWs) bands (ev): -15.4933 -15.4919 -15.4893 -15.4893 -15.4755 -15.4737 -15.4723 -15.4721 -12.9753 -12.9715 -12.9607 -12.9496 -12.9291 -12.9227 -12.9171 -12.9170 -12.9064 -12.9031 -12.9019 -12.8989 -9.4637 -9.4635 -9.4523 -9.4508 -5.5818 -5.5792 -5.5675 -5.5641 -0.0471 -0.0223 0.0304 0.0309 0.4740 0.4805 0.5815 0.5817 1.6035 1.6319 1.6903 1.6951 3.6105 3.7048 4.1346 4.1686 5.2763 5.3416 5.3661 5.4228 k = 0.0916 0.5000-0.0000 ( 7391 PWs) bands (ev): -15.4931 -15.4918 -15.4895 -15.4895 -15.4750 -15.4734 -15.4722 -15.4721 -12.9738 -12.9696 -12.9610 -12.9503 -12.9272 -12.9212 -12.9168 -12.9165 -12.9069 -12.9038 -12.9020 -12.8993 -9.4742 -9.4741 -9.4643 -9.4628 -5.5977 -5.5951 -5.5853 -5.5820 -0.0126 0.0103 0.0513 0.0514 0.5580 0.5685 0.6561 0.6581 1.6447 1.6791 1.7296 1.7405 3.5955 3.6948 4.0750 4.1155 5.2305 5.2952 5.3534 5.4143 k = 0.0785 0.5000-0.0000 ( 7391 PWs) bands (ev): -15.4928 -15.4916 -15.4898 -15.4897 -15.4747 -15.4731 -15.4721 -15.4721 -12.9724 -12.9678 -12.9614 -12.9512 -12.9252 -12.9200 -12.9166 -12.9160 -12.9074 -12.9045 -12.9020 -12.8996 -9.4834 -9.4833 -9.4749 -9.4735 -5.6114 -5.6089 -5.6009 -5.5977 0.0120 0.0322 0.0629 0.0635 0.6489 0.6633 0.7379 0.7405 1.6713 1.7117 1.7508 1.7684 3.5939 3.6977 4.0216 4.0694 5.1907 5.2558 5.3449 5.4107 k = 0.0654 0.5000-0.0000 ( 7391 PWs) bands (ev): -15.4926 -15.4915 -15.4901 -15.4899 -15.4743 -15.4729 -15.4721 -15.4721 -12.9711 -12.9661 -12.9620 -12.9522 -12.9235 -12.9189 -12.9164 -12.9157 -12.9078 -12.9052 -12.9020 -12.8999 -9.4911 -9.4910 -9.4841 -9.4828 -5.6230 -5.6204 -5.6143 -5.6111 0.0293 0.0469 0.0688 0.0703 0.7417 0.7599 0.8225 0.8239 1.6832 1.7298 1.7540 1.7788 3.6056 3.7129 3.9743 4.0302 5.1592 5.2253 5.3355 5.4069 k = 0.0523 0.5000-0.0000 ( 7387 PWs) bands (ev): -15.4923 -15.4914 -15.4903 -15.4901 -15.4739 -15.4727 -15.4722 -15.4721 -12.9699 -12.9644 -12.9626 -12.9533 -12.9218 -12.9180 -12.9162 -12.9155 -12.9081 -12.9059 -12.9020 -12.9002 -9.4974 -9.4972 -9.4918 -9.4906 -5.6324 -5.6297 -5.6254 -5.6223 0.0416 0.0566 0.0712 0.0738 0.8322 0.8537 0.9034 0.9054 1.6820 1.7347 1.7416 1.7741 3.6289 3.7383 3.9321 3.9968 5.1377 5.2051 5.3188 5.3953 k = 0.0393 0.5000-0.0000 ( 7379 PWs) bands (ev): -15.4921 -15.4913 -15.4906 -15.4903 -15.4736 -15.4725 -15.4723 -15.4720 -12.9687 -12.9632 -12.9628 -12.9545 -12.9203 -12.9173 -12.9161 -12.9155 -12.9082 -12.9065 -12.9018 -12.9005 -9.5022 -9.5018 -9.4980 -9.4969 -5.6395 -5.6368 -5.6343 -5.6313 0.0504 0.0632 0.0716 0.0753 0.9155 0.9403 0.9736 0.9812 1.6708 1.7174 1.7294 1.7583 3.6612 3.7709 3.8934 3.9672 5.1277 5.1964 5.2906 5.3685 k = 0.0262 0.5000-0.0000 ( 7383 PWs) bands (ev): -15.4918 -15.4911 -15.4908 -15.4905 -15.4733 -15.4725 -15.4723 -15.4721 -12.9676 -12.9640 -12.9613 -12.9557 -12.9190 -12.9167 -12.9160 -12.9157 -12.9083 -12.9070 -12.9017 -12.9007 -9.5055 -9.5049 -9.5026 -9.5016 -5.6443 -5.6416 -5.6409 -5.6379 0.0569 0.0678 0.0705 0.0754 0.9863 1.0140 1.0283 1.0431 1.6552 1.6877 1.7187 1.7376 3.6991 3.8071 3.8562 3.9390 5.1301 5.2002 5.2521 5.3285 k = 0.0131 0.5000-0.0000 ( 7379 PWs) bands (ev): -15.4916 -15.4911 -15.4910 -15.4906 -15.4731 -15.4726 -15.4722 -15.4721 -12.9666 -12.9648 -12.9598 -12.9570 -12.9178 -12.9163 -12.9162 -12.9160 -12.9081 -12.9075 -12.9014 -12.9010 -9.5071 -9.5065 -9.5057 -9.5048 -5.6469 -5.6452 -5.6441 -5.6423 0.0618 0.0684 0.0709 0.0747 1.0381 1.0604 1.0672 1.0828 1.6435 1.6603 1.7095 1.7189 3.7395 3.8187 3.8437 3.9099 5.1456 5.2105 5.2168 5.2847 k = 0.0000 0.5000-0.0000 ( 7386 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9079 -12.9079 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6443 -5.6443 0.0656 0.0656 0.0732 0.0732 1.0641 1.0641 1.0918 1.0918 1.6441 1.6441 1.7086 1.7086 3.7798 3.7798 3.8783 3.8783 5.1733 5.1733 5.2458 5.2458 k = 0.0000 0.5000-0.0000 ( 7386 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9079 -12.9079 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6443 -5.6443 0.0656 0.0656 0.0732 0.0732 1.0641 1.0641 1.0918 1.0918 1.6441 1.6441 1.7086 1.7086 3.7798 3.7798 3.8783 3.8783 5.1733 5.1733 5.2458 5.2458 k = 0.0000 0.5000 0.0123 ( 7386 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9079 -12.9079 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6443 -5.6443 0.0656 0.0656 0.0732 0.0732 1.0641 1.0641 1.0918 1.0918 1.6441 1.6441 1.7086 1.7086 3.7798 3.7798 3.8783 3.8783 5.1730 5.1730 5.2455 5.2455 k = 0.0000 0.5000 0.0247 ( 7388 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9079 -12.9079 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6443 -5.6443 0.0656 0.0656 0.0732 0.0732 1.0641 1.0641 1.0918 1.0918 1.6440 1.6440 1.7086 1.7086 3.7797 3.7797 3.8782 3.8782 5.1723 5.1723 5.2449 5.2449 k = 0.0000 0.5000 0.0370 ( 7386 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9079 -12.9079 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6443 -5.6443 0.0657 0.0657 0.0733 0.0733 1.0641 1.0641 1.0918 1.0918 1.6439 1.6439 1.7085 1.7085 3.7795 3.7795 3.8781 3.8781 5.1711 5.1711 5.2438 5.2438 k = 0.0000 0.5000 0.0494 ( 7386 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6443 -5.6443 0.0658 0.0658 0.0734 0.0734 1.0641 1.0641 1.0918 1.0918 1.6439 1.6439 1.7084 1.7084 3.7793 3.7793 3.8779 3.8779 5.1695 5.1695 5.2423 5.2423 k = 0.0000 0.5000 0.0617 ( 7376 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4721 -15.4721 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6443 -5.6443 0.0659 0.0659 0.0735 0.0735 1.0641 1.0641 1.0918 1.0918 1.6438 1.6438 1.7083 1.7083 3.7791 3.7791 3.8777 3.8777 5.1676 5.1676 5.2406 5.2406 k = 0.0000 0.5000 0.0741 ( 7392 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6443 -5.6443 0.0660 0.0660 0.0736 0.0736 1.0641 1.0641 1.0918 1.0918 1.6436 1.6436 1.7082 1.7082 3.7788 3.7788 3.8775 3.8775 5.1654 5.1654 5.2386 5.2386 k = 0.0000 0.5000 0.0864 ( 7400 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6444 -5.6444 0.0661 0.0661 0.0737 0.0737 1.0641 1.0641 1.0918 1.0918 1.6435 1.6435 1.7081 1.7081 3.7786 3.7786 3.8773 3.8773 5.1632 5.1632 5.2366 5.2366 k = 0.0000 0.5000 0.0987 ( 7406 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9079 -12.9079 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6444 -5.6444 0.0662 0.0662 0.0738 0.0738 1.0641 1.0641 1.0918 1.0918 1.6434 1.6434 1.7079 1.7079 3.7783 3.7783 3.8770 3.8770 5.1610 5.1610 5.2346 5.2346 k = 0.0000 0.5000 0.1111 ( 7410 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9079 -12.9079 -12.9012 -12.9012 -9.5072 -9.5072 -9.5065 -9.5065 -5.6472 -5.6472 -5.6444 -5.6444 0.0663 0.0663 0.0740 0.0740 1.0641 1.0641 1.0918 1.0918 1.6433 1.6433 1.7078 1.7078 3.7780 3.7780 3.8768 3.8768 5.1589 5.1589 5.2326 5.2326 k = 0.0000 0.5000 0.1234 ( 7396 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6444 -5.6444 0.0664 0.0664 0.0741 0.0741 1.0641 1.0641 1.0918 1.0918 1.6432 1.6432 1.7077 1.7077 3.7778 3.7778 3.8766 3.8766 5.1570 5.1570 5.2309 5.2309 k = 0.0000 0.5000 0.1358 ( 7402 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6444 -5.6444 0.0665 0.0665 0.0741 0.0741 1.0641 1.0641 1.0918 1.0918 1.6431 1.6431 1.7076 1.7076 3.7776 3.7776 3.8765 3.8765 5.1554 5.1554 5.2294 5.2294 k = 0.0000 0.5000 0.1481 ( 7416 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9079 -12.9079 -12.9012 -12.9012 -9.5072 -9.5072 -9.5065 -9.5065 -5.6472 -5.6472 -5.6444 -5.6444 0.0666 0.0666 0.0742 0.0742 1.0641 1.0641 1.0918 1.0918 1.6430 1.6430 1.7075 1.7075 3.7774 3.7774 3.8763 3.8763 5.1543 5.1543 5.2283 5.2283 k = 0.0000 0.5000 0.1605 ( 7408 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6444 -5.6444 0.0666 0.0666 0.0742 0.0742 1.0641 1.0641 1.0918 1.0918 1.6430 1.6430 1.7075 1.7075 3.7773 3.7773 3.8763 3.8763 5.1535 5.1535 5.2276 5.2276 k = 0.0000 0.5000 0.1728 ( 7404 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6444 -5.6444 0.0666 0.0666 0.0743 0.0743 1.0641 1.0641 1.0918 1.0918 1.6430 1.6430 1.7075 1.7075 3.7773 3.7773 3.8762 3.8762 5.1533 5.1533 5.2274 5.2274 k = 0.0000 0.5000 0.1728 ( 7404 PWs) bands (ev): -15.4913 -15.4913 -15.4908 -15.4908 -15.4728 -15.4728 -15.4722 -15.4722 -12.9657 -12.9657 -12.9584 -12.9584 -12.9169 -12.9169 -12.9161 -12.9161 -12.9078 -12.9078 -12.9012 -12.9012 -9.5072 -9.5072 -9.5064 -9.5064 -5.6472 -5.6472 -5.6444 -5.6444 0.0666 0.0666 0.0743 0.0743 1.0641 1.0641 1.0918 1.0918 1.6430 1.6430 1.7075 1.7075 3.7773 3.7773 3.8762 3.8762 5.1533 5.1533 5.2274 5.2274 k = 0.0131 0.5000 0.1728 ( 7408 PWs) bands (ev): -15.4916 -15.4911 -15.4910 -15.4906 -15.4731 -15.4726 -15.4722 -15.4721 -12.9666 -12.9648 -12.9598 -12.9570 -12.9178 -12.9163 -12.9162 -12.9160 -12.9081 -12.9075 -12.9014 -12.9010 -9.5071 -9.5065 -9.5057 -9.5048 -5.6469 -5.6452 -5.6441 -5.6423 0.0628 0.0695 0.0720 0.0758 1.0381 1.0604 1.0672 1.0827 1.6424 1.6593 1.7084 1.7178 3.7366 3.8164 3.8410 3.9082 5.1299 5.1853 5.2030 5.2604 k = 0.0262 0.5000 0.1728 ( 7402 PWs) bands (ev): -15.4918 -15.4911 -15.4908 -15.4905 -15.4733 -15.4725 -15.4723 -15.4721 -12.9676 -12.9640 -12.9613 -12.9557 -12.9190 -12.9167 -12.9160 -12.9157 -12.9083 -12.9070 -12.9017 -12.9007 -9.5055 -9.5049 -9.5026 -9.5016 -5.6443 -5.6416 -5.6409 -5.6379 0.0579 0.0688 0.0716 0.0765 0.9862 1.0139 1.0283 1.0431 1.6543 1.6867 1.7177 1.7365 3.6957 3.8037 3.8539 3.9373 5.1180 5.1900 5.2209 5.2968 k = 0.0393 0.5000 0.1728 ( 7400 PWs) bands (ev): -15.4921 -15.4912 -15.4906 -15.4903 -15.4736 -15.4725 -15.4723 -15.4720 -12.9687 -12.9632 -12.9628 -12.9545 -12.9203 -12.9173 -12.9161 -12.9155 -12.9082 -12.9065 -12.9018 -12.9005 -9.5022 -9.5018 -9.4980 -9.4969 -5.6395 -5.6368 -5.6343 -5.6313 0.0514 0.0643 0.0726 0.0764 0.9154 0.9402 0.9736 0.9812 1.6699 1.7166 1.7285 1.7574 3.6570 3.7666 3.8907 3.9652 5.1185 5.1893 5.2538 5.3293 k = 0.0523 0.5000 0.1728 ( 7396 PWs) bands (ev): -15.4923 -15.4914 -15.4903 -15.4901 -15.4739 -15.4727 -15.4722 -15.4721 -12.9699 -12.9644 -12.9626 -12.9533 -12.9218 -12.9180 -12.9162 -12.9155 -12.9081 -12.9059 -12.9020 -12.9002 -9.4974 -9.4972 -9.4918 -9.4906 -5.6324 -5.6297 -5.6255 -5.6223 0.0426 0.0576 0.0723 0.0749 0.8321 0.8536 0.9033 0.9054 1.6813 1.7340 1.7409 1.7733 3.6240 3.7331 3.9287 3.9942 5.1310 5.2005 5.2791 5.3517 k = 0.0654 0.5000 0.1728 ( 7392 PWs) bands (ev): -15.4926 -15.4915 -15.4901 -15.4899 -15.4743 -15.4729 -15.4721 -15.4721 -12.9711 -12.9661 -12.9620 -12.9522 -12.9234 -12.9189 -12.9164 -12.9157 -12.9078 -12.9052 -12.9020 -12.8999 -9.4911 -9.4910 -9.4841 -9.4828 -5.6230 -5.6204 -5.6143 -5.6111 0.0303 0.0478 0.0698 0.0713 0.7417 0.7598 0.8225 0.8239 1.6826 1.7292 1.7535 1.7782 3.5998 3.7068 3.9700 4.0268 5.1544 5.2230 5.2965 5.3643 k = 0.0785 0.5000 0.1728 ( 7392 PWs) bands (ev): -15.4928 -15.4916 -15.4898 -15.4897 -15.4747 -15.4731 -15.4721 -15.4721 -12.9724 -12.9678 -12.9614 -12.9512 -12.9252 -12.9200 -12.9166 -12.9160 -12.9074 -12.9045 -12.9020 -12.8996 -9.4834 -9.4833 -9.4749 -9.4735 -5.6115 -5.6089 -5.6009 -5.5977 0.0129 0.0332 0.0639 0.0645 0.6488 0.6633 0.7379 0.7405 1.6708 1.7112 1.7504 1.7679 3.5873 3.6907 4.0161 4.0648 5.1873 5.2553 5.3098 5.3724 k = 0.0916 0.5000 0.1728 ( 7400 PWs) bands (ev): -15.4931 -15.4918 -15.4895 -15.4895 -15.4750 -15.4734 -15.4722 -15.4721 -12.9738 -12.9696 -12.9610 -12.9503 -12.9271 -12.9212 -12.9168 -12.9165 -12.9069 -12.9038 -12.9020 -12.8993 -9.4742 -9.4741 -9.4643 -9.4628 -5.5977 -5.5951 -5.5853 -5.5820 -0.0118 0.0111 0.0522 0.0523 0.5580 0.5685 0.6562 0.6582 1.6443 1.6787 1.7294 1.7402 3.5880 3.6869 4.0681 4.1094 5.2274 5.2960 5.3244 5.3820 k = 0.1047 0.5000 0.1728 ( 7390 PWs) bands (ev): -15.4933 -15.4919 -15.4893 -15.4893 -15.4755 -15.4736 -15.4722 -15.4721 -12.9753 -12.9715 -12.9607 -12.9496 -12.9291 -12.9227 -12.9171 -12.9170 -12.9064 -12.9031 -12.9019 -12.8989 -9.4637 -9.4635 -9.4523 -9.4508 -5.5818 -5.5792 -5.5675 -5.5641 -0.0464 -0.0216 0.0311 0.0317 0.4741 0.4806 0.5818 0.5819 1.6032 1.6316 1.6901 1.6949 3.6023 3.6960 4.1261 4.1608 5.2713 5.3420 5.3459 5.3985 k = 0.1178 0.5000 0.1728 ( 7386 PWs) bands (ev): -15.4936 -15.4920 -15.4891 -15.4890 -15.4759 -15.4740 -15.4723 -15.4722 -12.9769 -12.9734 -12.9604 -12.9491 -12.9311 -12.9242 -12.9176 -12.9174 -12.9058 -12.9023 -12.9017 -12.8984 -9.4519 -9.4516 -9.4390 -9.4374 -5.5637 -5.5611 -5.5474 -5.5440 -0.0935 -0.0682 -0.0045 -0.0018 0.4025 0.4056 0.5164 0.5184 1.5483 1.5707 1.6334 1.6337 3.6289 3.7176 4.1896 4.2186 5.3126 5.3817 5.3851 5.4309 k = 0.1308 0.5000 0.1728 ( 7378 PWs) bands (ev): -15.4938 -15.4921 -15.4889 -15.4887 -15.4763 -15.4743 -15.4724 -15.4722 -12.9786 -12.9754 -12.9604 -12.9488 -12.9329 -12.9259 -12.9182 -12.9177 -12.9052 -12.9015 -12.9015 -12.8979 -9.4388 -9.4384 -9.4244 -9.4229 -5.5436 -5.5409 -5.5253 -5.5218 -0.1543 -0.1306 -0.0592 -0.0521 0.3473 0.3488 0.4652 0.4685 1.4813 1.4973 1.5582 1.5621 3.6662 3.7500 4.2574 4.2815 5.3487 5.4194 5.4348 5.4851 k = 0.1439 0.5000 0.1728 ( 7374 PWs) bands (ev): -15.4941 -15.4923 -15.4887 -15.4884 -15.4768 -15.4747 -15.4725 -15.4723 -12.9803 -12.9775 -12.9605 -12.9490 -12.9345 -12.9276 -12.9188 -12.9180 -12.9045 -12.9013 -12.9006 -12.8974 -9.4245 -9.4241 -9.4087 -9.4071 -5.5215 -5.5187 -5.5010 -5.4975 -0.2284 -0.2080 -0.1333 -0.1198 0.3089 0.3107 0.4289 0.4321 1.4038 1.4129 1.4722 1.4779 3.7120 3.7915 4.3283 4.3482 5.3844 5.4539 5.4997 5.5515 k = 0.1570 0.5000 0.1728 ( 7376 PWs) bands (ev): -15.4944 -15.4924 -15.4885 -15.4882 -15.4772 -15.4752 -15.4726 -15.4724 -12.9822 -12.9796 -12.9608 -12.9498 -12.9357 -12.9292 -12.9194 -12.9182 -12.9038 -12.9010 -12.8998 -12.8967 -9.4092 -9.4087 -9.3919 -9.3904 -5.4974 -5.4945 -5.4747 -5.4712 -0.3134 -0.2973 -0.2224 -0.2020 0.2839 0.2873 0.4059 0.4075 1.3180 1.3189 1.3787 1.3840 3.7641 3.8400 4.4008 4.4170 5.4237 5.4934 5.5719 5.6244 k = 0.1701 0.5000 0.1728 ( 7372 PWs) bands (ev): -15.4946 -15.4926 -15.4883 -15.4879 -15.4777 -15.4756 -15.4726 -15.4726 -12.9841 -12.9818 -12.9614 -12.9512 -12.9365 -12.9308 -12.9200 -12.9185 -12.9031 -12.9006 -12.8989 -12.8960 -9.3928 -9.3923 -9.3741 -9.3726 -5.4713 -5.4684 -5.4464 -5.4429 -0.4064 -0.3947 -0.3210 -0.2943 0.2676 0.2731 0.3921 0.3933 1.2168 1.2257 1.2807 1.2830 3.8209 3.8937 4.4736 4.4865 5.4680 5.5388 5.6486 5.7015 k = 0.1832 0.5000 0.1728 ( 7374 PWs) bands (ev): -15.4949 -15.4927 -15.4881 -15.4876 -15.4782 -15.4761 -15.4727 -15.4727 -12.9861 -12.9840 -12.9622 -12.9533 -12.9367 -12.9323 -12.9206 -12.9187 -12.9023 -12.9003 -12.8980 -12.8953 -9.3755 -9.3750 -9.3555 -9.3540 -5.4435 -5.4404 -5.4161 -5.4126 -0.5048 -0.4971 -0.4249 -0.3927 0.2558 0.2636 0.3834 0.3882 1.1083 1.1285 1.1780 1.1808 3.8807 3.9511 4.5457 4.5554 5.5175 5.5900 5.7284 5.7814 k = 0.1963 0.5000 0.1728 ( 7374 PWs) bands (ev): -15.4952 -15.4929 -15.4879 -15.4874 -15.4786 -15.4766 -15.4728 -15.4728 -12.9882 -12.9863 -12.9634 -12.9558 -12.9367 -12.9336 -12.9211 -12.9190 -12.9015 -12.8999 -12.8971 -12.8945 -9.3574 -9.3569 -9.3360 -9.3346 -5.4139 -5.4107 -5.3841 -5.3806 -0.6062 -0.6022 -0.5315 -0.4946 0.2452 0.2555 0.3792 0.3885 0.9952 1.0277 1.0720 1.0812 3.9426 4.0111 4.6162 4.6230 5.5716 5.6462 5.8099 5.8629 k = 0.2093 0.5000 0.1728 ( 7382 PWs) bands (ev): -15.4954 -15.4930 -15.4877 -15.4871 -15.4791 -15.4772 -15.4730 -15.4728 -12.9903 -12.9886 -12.9648 -12.9586 -12.9364 -12.9346 -12.9216 -12.9192 -12.9007 -12.8994 -12.8962 -12.8937 -9.3387 -9.3381 -9.3159 -9.3145 -5.3827 -5.3793 -5.3502 -5.3468 -0.7090 -0.7082 -0.6389 -0.5980 0.2331 0.2461 0.3774 0.3926 0.8793 0.9240 0.9693 0.9844 4.0057 4.0728 4.6846 4.6884 5.6295 5.7063 5.8918 5.9448 k = 0.2224 0.5000 0.1728 ( 7382 PWs) bands (ev): -15.4957 -15.4932 -15.4876 -15.4869 -15.4796 -15.4777 -15.4731 -15.4729 -12.9925 -12.9908 -12.9666 -12.9617 -12.9360 -12.9355 -12.9220 -12.9193 -12.8998 -12.8989 -12.8952 -12.8929 -9.3193 -9.3188 -9.2952 -9.2939 -5.3500 -5.3463 -5.3147 -5.3113 -0.8142 -0.8121 -0.7460 -0.7016 0.2167 0.2325 0.3757 0.3995 0.7619 0.8190 0.8736 0.8931 4.0694 4.1355 4.7508 4.7516 5.6899 5.7691 5.9730 6.0259 k = 0.2355 0.5000 0.1728 ( 7384 PWs) bands (ev): -15.4960 -15.4934 -15.4874 -15.4866 -15.4800 -15.4783 -15.4732 -15.4730 -12.9946 -12.9931 -12.9687 -12.9648 -12.9361 -12.9356 -12.9223 -12.9195 -12.8990 -12.8984 -12.8943 -12.8920 -9.2996 -9.2990 -9.2741 -9.2729 -5.3158 -5.3120 -5.2777 -5.2744 -0.9191 -0.9144 -0.8520 -0.8045 0.1929 0.2116 0.3707 0.4078 0.6449 0.7170 0.7884 0.8105 4.1333 4.1988 4.8123 4.8148 5.7517 5.8333 6.0523 6.1053 k = 0.2486 0.5000 0.1728 ( 7384 PWs) bands (ev): -15.4962 -15.4936 -15.4873 -15.4864 -15.4805 -15.4789 -15.4733 -15.4730 -12.9968 -12.9954 -12.9710 -12.9681 -12.9365 -12.9351 -12.9227 -12.9196 -12.8981 -12.8978 -12.8933 -12.8911 -9.2795 -9.2789 -9.2527 -9.2516 -5.2804 -5.2763 -5.2392 -5.2360 -1.0224 -1.0152 -0.9564 -0.9062 0.1586 0.1798 0.3552 0.4151 0.5310 0.6263 0.7166 0.7401 4.1971 4.2624 4.8706 4.8765 5.8134 5.8972 6.1286 6.1818 k = 0.2617 0.5000 0.1728 ( 7372 PWs) bands (ev): -15.4965 -15.4938 -15.4872 -15.4862 -15.4809 -15.4795 -15.4734 -15.4730 -12.9989 -12.9976 -12.9736 -12.9714 -12.9368 -12.9346 -12.9229 -12.9197 -12.8973 -12.8972 -12.8924 -12.8903 -9.2592 -9.2587 -9.2312 -9.2301 -5.2439 -5.2395 -5.1995 -5.1964 -1.1235 -1.1140 -1.0586 -1.0059 0.1118 0.1347 0.3172 0.3905 0.4515 0.5599 0.6607 0.6844 4.2607 4.3261 4.9266 4.9362 5.8737 5.9596 6.2009 6.2545 k = 0.2748 0.5000 0.1728 ( 7372 PWs) bands (ev): -15.4967 -15.4940 -15.4872 -15.4860 -15.4813 -15.4801 -15.4735 -15.4731 -13.0010 -12.9997 -12.9762 -12.9748 -12.9369 -12.9342 -12.9231 -12.9198 -12.8966 -12.8964 -12.8915 -12.8894 -9.2389 -9.2385 -9.2096 -9.2086 -5.2064 -5.2018 -5.1587 -5.1558 -1.2220 -1.2103 -1.1582 -1.1033 0.0523 0.0758 0.2493 0.2890 0.4519 0.5257 0.6213 0.6441 4.3240 4.3898 4.9805 4.9941 5.9317 6.0191 6.2684 6.3226 k = 0.2878 0.5000 0.1728 ( 7366 PWs) bands (ev): -15.4969 -15.4942 -15.4872 -15.4858 -15.4816 -15.4807 -15.4736 -15.4731 -13.0030 -13.0018 -12.9790 -12.9781 -12.9369 -12.9338 -12.9232 -12.9198 -12.8959 -12.8955 -12.8906 -12.8886 -9.2187 -9.2183 -9.1881 -9.1872 -5.1683 -5.1633 -5.1170 -5.1143 -1.3175 -1.3037 -1.2550 -1.1981 -0.0179 0.0054 0.1613 0.1798 0.4633 0.5147 0.5963 0.6174 4.3868 4.4533 5.0322 5.0503 5.9864 6.0746 6.3303 6.3854 k = 0.3009 0.5000 0.1728 ( 7362 PWs) bands (ev): -15.4972 -15.4945 -15.4873 -15.4856 -15.4819 -15.4812 -15.4737 -15.4731 -13.0050 -13.0038 -12.9819 -12.9814 -12.9368 -12.9334 -12.9233 -12.9199 -12.8953 -12.8947 -12.8897 -12.8877 -9.1988 -9.1984 -9.1669 -9.1661 -5.1296 -5.1243 -5.0746 -5.0722 -1.4098 -1.3938 -1.3486 -1.2899 -0.0953 -0.0726 0.0653 0.0725 0.4762 0.5149 0.5825 0.6015 4.4491 4.5167 5.0818 5.1047 6.0372 6.1253 6.3862 6.4427 k = 0.3140 0.5000 0.1728 ( 7362 PWs) bands (ev): -15.4973 -15.4947 -15.4874 -15.4856 -15.4821 -15.4817 -15.4737 -15.4731 -13.0069 -13.0057 -12.9847 -12.9847 -12.9366 -12.9331 -12.9233 -12.9199 -12.8946 -12.8939 -12.8888 -12.8869 -9.1792 -9.1789 -9.1461 -9.1454 -5.0906 -5.0851 -5.0319 -5.0296 -1.4985 -1.4804 -1.4386 -1.3784 -0.1765 -0.1547 -0.0322 -0.0313 0.4894 0.5203 0.5766 0.5935 4.5110 4.5798 5.1290 5.1574 6.0839 6.1705 6.4357 6.4941 k = 0.3271 0.5000 0.1728 ( 7358 PWs) bands (ev): -15.4975 -15.4949 -15.4876 -15.4855 -15.4823 -15.4822 -15.4737 -15.4731 -13.0086 -13.0075 -12.9878 -12.9876 -12.9364 -12.9328 -12.9233 -12.9200 -12.8939 -12.8931 -12.8879 -12.8861 -9.1602 -9.1600 -9.1258 -9.1252 -5.0516 -5.0459 -4.9890 -4.9870 -1.5832 -1.5631 -1.5248 -1.4634 -0.2588 -0.2379 -0.1311 -0.1282 0.5027 0.5281 0.5762 0.5910 4.5722 4.6425 5.1736 5.2080 6.1266 6.2101 6.4788 6.5397 k = 0.3402 0.5000 0.1728 ( 7358 PWs) bands (ev): -15.4977 -15.4951 -15.4878 -15.4856 -15.4826 -15.4825 -15.4738 -15.4732 -13.0102 -13.0091 -12.9909 -12.9904 -12.9362 -12.9326 -12.9232 -12.9200 -12.8932 -12.8924 -12.8871 -12.8854 -9.1419 -9.1417 -9.1062 -9.1058 -5.0130 -5.0071 -4.9463 -4.9446 -1.6638 -1.6416 -1.6068 -1.5446 -0.3400 -0.3201 -0.2262 -0.2210 0.5157 0.5370 0.5793 0.5922 4.6327 4.7048 5.2152 5.2564 6.1657 6.2440 6.5155 6.5797 k = 0.3533 0.5000 0.1728 ( 7356 PWs) bands (ev): -15.4978 -15.4953 -15.4881 -15.4858 -15.4828 -15.4825 -15.4738 -15.4732 -13.0117 -13.0106 -12.9939 -12.9932 -12.9359 -12.9324 -12.9231 -12.9200 -12.8926 -12.8916 -12.8863 -12.8847 -9.1244 -9.1242 -9.0875 -9.0872 -4.9750 -4.9689 -4.9042 -4.9027 -1.7398 -1.7159 -1.6843 -1.6218 -0.4184 -0.3997 -0.3161 -0.3095 0.5283 0.5462 0.5849 0.5960 4.6924 4.7666 5.2533 5.3018 6.2018 6.2728 6.5461 6.6144 k = 0.3663 0.5000 0.1728 ( 7354 PWs) bands (ev): -15.4979 -15.4955 -15.4884 -15.4861 -15.4829 -15.4826 -15.4738 -15.4732 -13.0131 -13.0119 -12.9967 -12.9958 -12.9356 -12.9322 -12.9229 -12.9200 -12.8920 -12.8910 -12.8856 -12.8841 -9.1078 -9.1078 -9.0698 -9.0695 -4.9380 -4.9319 -4.8631 -4.8619 -1.8110 -1.7856 -1.7567 -1.6946 -0.4928 -0.4754 -0.4005 -0.3930 0.5403 0.5552 0.5919 0.6013 4.7513 4.8276 5.2873 5.3437 6.2358 6.2972 6.5710 6.6445 k = 0.3794 0.5000 0.1728 ( 7344 PWs) bands (ev): -15.4979 -15.4957 -15.4887 -15.4865 -15.4830 -15.4826 -15.4738 -15.4732 -13.0143 -13.0131 -12.9994 -12.9984 -12.9353 -12.9321 -12.9228 -12.9201 -12.8914 -12.8904 -12.8849 -12.8835 -9.0924 -9.0924 -9.0532 -9.0530 -4.9024 -4.8963 -4.8233 -4.8224 -1.8770 -1.8508 -1.8236 -1.7629 -0.5622 -0.5464 -0.4789 -0.4708 0.5515 0.5639 0.5997 0.6075 4.8091 4.8877 5.3164 5.3813 6.2689 6.3182 6.5906 6.6703 k = 0.3925 0.5000 0.1728 ( 7336 PWs) bands (ev): -15.4980 -15.4959 -15.4890 -15.4869 -15.4830 -15.4826 -15.4737 -15.4732 -13.0153 -13.0141 -13.0019 -13.0008 -12.9349 -12.9321 -12.9226 -12.9201 -12.8908 -12.8898 -12.8842 -12.8829 -9.0783 -9.0783 -9.0378 -9.0377 -4.8687 -4.8627 -4.7855 -4.7848 -1.9374 -1.9111 -1.8844 -1.8262 -0.6259 -0.6119 -0.5508 -0.5424 0.5618 0.5721 0.6079 0.6142 4.8656 4.9465 5.3402 5.4134 6.3019 6.3372 6.6054 6.6926 k = 0.4056 0.5000 0.1728 ( 7332 PWs) bands (ev): -15.4980 -15.4961 -15.4892 -15.4874 -15.4829 -15.4826 -15.4737 -15.4732 -13.0161 -13.0149 -13.0043 -13.0031 -12.9346 -12.9321 -12.9224 -12.9202 -12.8902 -12.8894 -12.8836 -12.8825 -9.0655 -9.0654 -9.0239 -9.0238 -4.8372 -4.8315 -4.7501 -4.7496 -1.9919 -1.9665 -1.9386 -1.8842 -0.6832 -0.6712 -0.6158 -0.6072 0.5711 0.5795 0.6159 0.6210 4.9206 5.0038 5.3581 5.4393 6.3361 6.3556 6.6159 6.7118 k = 0.4187 0.5000 0.1728 ( 7326 PWs) bands (ev): -15.4980 -15.4963 -15.4895 -15.4878 -15.4829 -15.4826 -15.4737 -15.4733 -13.0167 -13.0155 -13.0065 -13.0052 -12.9343 -12.9321 -12.9221 -12.9202 -12.8897 -12.8889 -12.8831 -12.8821 -9.0541 -9.0541 -9.0114 -9.0113 -4.8085 -4.8032 -4.7176 -4.7173 -2.0400 -2.0165 -1.9858 -1.9367 -0.7336 -0.7238 -0.6735 -0.6649 0.5794 0.5861 0.6235 0.6275 4.9738 5.0588 5.3700 5.4578 6.3720 6.3747 6.6225 6.7282 k = 0.4318 0.5000 0.1728 ( 7314 PWs) bands (ev): -15.4979 -15.4964 -15.4897 -15.4882 -15.4828 -15.4826 -15.4736 -15.4733 -13.0171 -13.0159 -13.0084 -13.0072 -12.9340 -12.9321 -12.9219 -12.9203 -12.8893 -12.8886 -12.8826 -12.8817 -9.0444 -9.0443 -9.0005 -9.0005 -4.7829 -4.7782 -4.6886 -4.6885 -2.0813 -2.0606 -2.0259 -1.9832 -0.7767 -0.7694 -0.7234 -0.7150 0.5865 0.5917 0.6304 0.6335 5.0249 5.1108 5.3762 5.4684 6.3958 6.4098 6.6258 6.7417 k = 0.4448 0.5000 0.1728 ( 7312 PWs) bands (ev): -15.4979 -15.4966 -15.4898 -15.4886 -15.4828 -15.4826 -15.4736 -15.4733 -13.0173 -13.0161 -13.0102 -13.0089 -12.9337 -12.9322 -12.9217 -12.9204 -12.8889 -12.8883 -12.8821 -12.8815 -9.0362 -9.0362 -8.9913 -8.9913 -4.7610 -4.7570 -4.6637 -4.6637 -2.1155 -2.0982 -2.0586 -2.0234 -0.8125 -0.8076 -0.7651 -0.7571 0.5924 0.5963 0.6365 0.6388 5.0734 5.1582 5.3776 5.4705 6.4192 6.4491 6.6266 6.7510 k = 0.4579 0.5000 0.1728 ( 7318 PWs) bands (ev): -15.4978 -15.4968 -15.4899 -15.4890 -15.4827 -15.4826 -15.4735 -15.4733 -13.0174 -13.0162 -13.0118 -13.0105 -12.9335 -12.9323 -12.9215 -12.9205 -12.8886 -12.8881 -12.8818 -12.8813 -9.0298 -9.0298 -8.9839 -8.9839 -4.7432 -4.7400 -4.6433 -4.6433 -2.1421 -2.1288 -2.0839 -2.0568 -0.8407 -0.8380 -0.7981 -0.7910 0.5970 0.5998 0.6416 0.6432 5.1187 5.1982 5.3768 5.4646 6.4451 6.4875 6.6266 6.7532 k = 0.4710 0.5000 0.1728 ( 7316 PWs) bands (ev): -15.4976 -15.4970 -15.4899 -15.4893 -15.4826 -15.4826 -15.4735 -15.4734 -13.0172 -13.0161 -13.0130 -13.0119 -12.9332 -12.9324 -12.9213 -12.9206 -12.8883 -12.8880 -12.8815 -12.8812 -9.0252 -9.0252 -8.9783 -8.9783 -4.7298 -4.7276 -4.6279 -4.6279 -2.1609 -2.1518 -2.1016 -2.0832 -0.8616 -0.8606 -0.8218 -0.8162 0.6004 0.6022 0.6457 0.6466 5.1600 5.2258 5.3788 5.4511 6.4723 6.5185 6.6318 6.7438 k = 0.4841 0.5000 0.1728 ( 7314 PWs) bands (ev): -15.4975 -15.4972 -15.4898 -15.4895 -15.4826 -15.4826 -15.4735 -15.4734 -13.0168 -13.0160 -13.0138 -13.0130 -12.9330 -12.9326 -12.9211 -12.9208 -12.8881 -12.8880 -12.8813 -12.8811 -9.0224 -9.0224 -8.9746 -8.9746 -4.7211 -4.7200 -4.6178 -4.6178 -2.1716 -2.1670 -2.1115 -2.1023 -0.8752 -0.8752 -0.8359 -0.8326 0.6025 0.6034 0.6485 0.6490 5.1961 5.2349 5.3893 5.4317 6.4993 6.5308 6.6520 6.7206 k = 0.4972 0.5000 0.1728 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6033 0.6033 0.6502 0.6502 5.2248 5.2248 5.4087 5.4087 6.5230 6.5230 6.6871 6.6871 k = 0.4972 0.5000 0.1728 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6033 0.6033 0.6502 0.6502 5.2248 5.2248 5.4087 5.4087 6.5230 6.5230 6.6871 6.6871 k = 0.4880 0.4907 0.1728 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0164 -13.0164 -13.0133 -13.0133 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0214 -9.0214 -8.9759 -8.9759 -4.7198 -4.7198 -4.6196 -4.6196 -2.1716 -2.1716 -2.1029 -2.1029 -0.8725 -0.8725 -0.8356 -0.8356 0.6042 0.6042 0.6472 0.6472 5.2140 5.2140 5.4109 5.4109 6.5130 6.5130 6.6830 6.6830 k = 0.4788 0.4815 0.1728 ( 7306 PWs) bands (ev): -15.4973 -15.4973 -15.4896 -15.4896 -15.4826 -15.4826 -15.4734 -15.4734 -13.0166 -13.0166 -13.0123 -13.0123 -12.9328 -12.9328 -12.9210 -12.9210 -12.8882 -12.8882 -12.8814 -12.8814 -9.0214 -9.0214 -8.9828 -8.9828 -4.7253 -4.7253 -4.6337 -4.6337 -2.1663 -2.1663 -2.0785 -2.0785 -0.8561 -0.8561 -0.8216 -0.8216 0.6056 0.6056 0.6414 0.6414 5.1907 5.1907 5.4149 5.4149 6.4927 6.4927 6.6777 6.6777 k = 0.4696 0.4722 0.1728 ( 7310 PWs) bands (ev): -15.4973 -15.4973 -15.4894 -15.4894 -15.4826 -15.4826 -15.4734 -15.4734 -13.0167 -13.0167 -13.0110 -13.0110 -12.9329 -12.9329 -12.9210 -12.9210 -12.8884 -12.8884 -12.8816 -12.8816 -9.0213 -9.0213 -8.9934 -8.9934 -4.7334 -4.7334 -4.6550 -4.6550 -2.1585 -2.1585 -2.0408 -2.0408 -0.8414 -0.8414 -0.7897 -0.7897 0.6042 0.6042 0.6359 0.6359 5.1565 5.1565 5.4194 5.4194 6.4656 6.4656 6.6741 6.6741 k = 0.4604 0.4630 0.1728 ( 7310 PWs) bands (ev): -15.4973 -15.4973 -15.4891 -15.4891 -15.4827 -15.4827 -15.4734 -15.4734 -13.0166 -13.0166 -13.0095 -13.0095 -12.9330 -12.9330 -12.9210 -12.9210 -12.8886 -12.8886 -12.8819 -12.8819 -9.0218 -9.0218 -9.0071 -9.0071 -4.7436 -4.7436 -4.6830 -4.6830 -2.1482 -2.1482 -1.9904 -1.9904 -0.8287 -0.8287 -0.7401 -0.7401 0.5945 0.5945 0.6366 0.6366 5.1126 5.1126 5.4237 5.4237 6.4356 6.4356 6.6731 6.6731 k = 0.4511 0.4537 0.1728 ( 7318 PWs) bands (ev): -15.4973 -15.4973 -15.4888 -15.4888 -15.4827 -15.4827 -15.4734 -15.4734 -13.0163 -13.0163 -13.0078 -13.0078 -12.9331 -12.9331 -12.9211 -12.9211 -12.8890 -12.8890 -12.8822 -12.8822 -9.0291 -9.0291 -9.0177 -9.0177 -4.7554 -4.7554 -4.7168 -4.7168 -2.1356 -2.1356 -1.9279 -1.9279 -0.8152 -0.8152 -0.6766 -0.6766 0.5763 0.5763 0.6439 0.6439 5.0600 5.0600 5.4273 5.4273 6.4050 6.4050 6.6744 6.6744 k = 0.4419 0.4445 0.1728 ( 7314 PWs) bands (ev): -15.4972 -15.4972 -15.4885 -15.4885 -15.4828 -15.4828 -15.4734 -15.4734 -13.0158 -13.0158 -13.0059 -13.0059 -12.9333 -12.9333 -12.9211 -12.9211 -12.8894 -12.8894 -12.8826 -12.8826 -9.0492 -9.0492 -9.0189 -9.0189 -4.7685 -4.7685 -4.7555 -4.7555 -2.1206 -2.1206 -1.8543 -1.8543 -0.7996 -0.7996 -0.6014 -0.6014 0.5526 0.5526 0.6551 0.6551 4.9994 4.9994 5.4304 5.4304 6.3752 6.3752 6.6776 6.6776 k = 0.4327 0.4352 0.1728 ( 7310 PWs) bands (ev): -15.4972 -15.4972 -15.4881 -15.4881 -15.4829 -15.4829 -15.4734 -15.4734 -13.0150 -13.0150 -13.0038 -13.0038 -12.9334 -12.9334 -12.9212 -12.9212 -12.8898 -12.8898 -12.8831 -12.8831 -9.0740 -9.0740 -9.0189 -9.0189 -4.7991 -4.7991 -4.7809 -4.7809 -2.1034 -2.1034 -1.7704 -1.7704 -0.7816 -0.7816 -0.5159 -0.5159 0.5248 0.5248 0.6693 0.6693 4.9317 4.9317 5.4331 5.4331 6.3463 6.3463 6.6823 6.6823 k = 0.4235 0.4259 0.1728 ( 7324 PWs) bands (ev): -15.4971 -15.4971 -15.4877 -15.4877 -15.4829 -15.4829 -15.4734 -15.4734 -13.0141 -13.0141 -13.0016 -13.0016 -12.9336 -12.9336 -12.9212 -12.9212 -12.8904 -12.8904 -12.8837 -12.8837 -9.1022 -9.1022 -9.0187 -9.0187 -4.8452 -4.8452 -4.7938 -4.7938 -2.0839 -2.0839 -1.6774 -1.6774 -0.7610 -0.7610 -0.4217 -0.4217 0.4939 0.4939 0.6862 0.6862 4.8579 4.8579 5.4359 5.4359 6.3177 6.3177 6.6885 6.6885 k = 0.4143 0.4167 0.1728 ( 7332 PWs) bands (ev): -15.4970 -15.4970 -15.4872 -15.4872 -15.4830 -15.4830 -15.4734 -15.4734 -13.0129 -13.0129 -12.9993 -12.9993 -12.9338 -12.9338 -12.9213 -12.9213 -12.8910 -12.8910 -12.8843 -12.8843 -9.1336 -9.1336 -9.0186 -9.0186 -4.8936 -4.8936 -4.8058 -4.8058 -2.0622 -2.0622 -1.5763 -1.5763 -0.7375 -0.7375 -0.3204 -0.3204 0.4608 0.4608 0.7056 0.7056 4.7787 4.7787 5.4388 5.4388 6.2887 6.2887 6.6958 6.6958 k = 0.4051 0.4074 0.1728 ( 7346 PWs) bands (ev): -15.4969 -15.4969 -15.4868 -15.4868 -15.4831 -15.4831 -15.4734 -15.4734 -13.0116 -13.0116 -12.9969 -12.9969 -12.9340 -12.9340 -12.9214 -12.9214 -12.8916 -12.8916 -12.8850 -12.8850 -9.1678 -9.1678 -9.0185 -9.0185 -4.9436 -4.9436 -4.8163 -4.8163 -2.0384 -2.0384 -1.4681 -1.4681 -0.7108 -0.7108 -0.2143 -0.2143 0.4270 0.4270 0.7276 0.7276 4.6953 4.6953 5.4422 5.4422 6.2579 6.2579 6.7042 6.7042 k = 0.3959 0.3982 0.1728 ( 7358 PWs) bands (ev): -15.4968 -15.4968 -15.4863 -15.4863 -15.4832 -15.4832 -15.4734 -15.4734 -13.0101 -13.0101 -12.9943 -12.9943 -12.9342 -12.9342 -12.9214 -12.9214 -12.8924 -12.8924 -12.8858 -12.8858 -9.2047 -9.2047 -9.0186 -9.0186 -4.9943 -4.9943 -4.8251 -4.8251 -2.0124 -2.0124 -1.3543 -1.3543 -0.6805 -0.6805 -0.1069 -0.1069 0.3949 0.3949 0.7525 0.7525 4.6086 4.6086 5.4461 5.4461 6.2244 6.2244 6.7132 6.7132 k = 0.3867 0.3889 0.1728 ( 7354 PWs) bands (ev): -15.4967 -15.4967 -15.4858 -15.4858 -15.4833 -15.4833 -15.4734 -15.4734 -13.0085 -13.0085 -12.9917 -12.9917 -12.9344 -12.9344 -12.9215 -12.9215 -12.8931 -12.8931 -12.8866 -12.8866 -9.2440 -9.2440 -9.0189 -9.0189 -5.0449 -5.0449 -4.8316 -4.8316 -1.9845 -1.9845 -1.2363 -1.2363 -0.6459 -0.6459 -0.0050 -0.0050 0.3705 0.3705 0.7807 0.7807 4.5196 4.5196 5.4504 5.4504 6.1867 6.1867 6.7223 6.7223 k = 0.3775 0.3796 0.1728 ( 7366 PWs) bands (ev): -15.4966 -15.4966 -15.4853 -15.4853 -15.4834 -15.4834 -15.4734 -15.4734 -13.0067 -13.0067 -12.9890 -12.9890 -12.9345 -12.9345 -12.9215 -12.9215 -12.8940 -12.8940 -12.8874 -12.8874 -9.2856 -9.2856 -9.0195 -9.0195 -5.0949 -5.0949 -4.8356 -4.8356 -1.9545 -1.9545 -1.1163 -1.1163 -0.6058 -0.6058 0.0754 0.0754 0.3682 0.3682 0.8126 0.8126 4.4293 4.4293 5.4548 5.4548 6.1438 6.1438 6.7306 6.7306 k = 0.3683 0.3704 0.1728 ( 7356 PWs) bands (ev): -15.4964 -15.4964 -15.4848 -15.4848 -15.4835 -15.4835 -15.4734 -15.4734 -13.0048 -13.0048 -12.9863 -12.9863 -12.9347 -12.9347 -12.9215 -12.9215 -12.8949 -12.8949 -12.8884 -12.8884 -9.3292 -9.3292 -9.0204 -9.0204 -5.1436 -5.1436 -4.8369 -4.8369 -1.9227 -1.9227 -0.9973 -0.9973 -0.5581 -0.5581 0.1107 0.1107 0.4101 0.4101 0.8496 0.8496 4.3386 4.3386 5.4591 5.4591 6.0946 6.0946 6.7369 6.7369 k = 0.3591 0.3611 0.1728 ( 7354 PWs) bands (ev): -15.4963 -15.4963 -15.4845 -15.4845 -15.4835 -15.4835 -15.4733 -15.4733 -13.0029 -13.0029 -12.9835 -12.9835 -12.9348 -12.9348 -12.9216 -12.9216 -12.8958 -12.8958 -12.8893 -12.8893 -9.3745 -9.3745 -9.0217 -9.0217 -5.1905 -5.1905 -4.8352 -4.8352 -1.8889 -1.8889 -0.8837 -0.8837 -0.4996 -0.4996 0.1025 0.1025 0.4923 0.4923 0.8933 0.8933 4.2486 4.2486 5.4625 5.4625 6.0386 6.0386 6.7392 6.7392 k = 0.3499 0.3519 0.1728 ( 7362 PWs) bands (ev): -15.4962 -15.4962 -15.4844 -15.4844 -15.4833 -15.4833 -15.4733 -15.4733 -13.0009 -13.0009 -12.9807 -12.9807 -12.9349 -12.9349 -12.9216 -12.9216 -12.8968 -12.8968 -12.8903 -12.8903 -9.4212 -9.4212 -9.0233 -9.0233 -5.2353 -5.2353 -4.8305 -4.8305 -1.8534 -1.8534 -0.7809 -0.7809 -0.4268 -0.4268 0.0742 0.0742 0.5887 0.5887 0.9466 0.9466 4.1603 4.1603 5.4643 5.4643 5.9756 5.9756 6.7351 6.7351 k = 0.3407 0.3426 0.1728 ( 7356 PWs) bands (ev): -15.4960 -15.4960 -15.4844 -15.4844 -15.4829 -15.4829 -15.4733 -15.4733 -12.9989 -12.9989 -12.9779 -12.9779 -12.9350 -12.9350 -12.9215 -12.9215 -12.8979 -12.8979 -12.8913 -12.8913 -9.4693 -9.4693 -9.0254 -9.0254 -5.2773 -5.2773 -4.8226 -4.8226 -1.8161 -1.8161 -0.6933 -0.6933 -0.3391 -0.3391 0.0416 0.0416 0.6815 0.6815 1.0130 1.0130 4.0751 4.0751 5.4630 5.4630 5.9064 5.9064 6.7222 6.7222 k = 0.3315 0.3333 0.1728 ( 7352 PWs) bands (ev): -15.4959 -15.4959 -15.4845 -15.4845 -15.4824 -15.4824 -15.4733 -15.4733 -12.9970 -12.9970 -12.9751 -12.9751 -12.9350 -12.9350 -12.9215 -12.9215 -12.8989 -12.8989 -12.8923 -12.8923 -9.5184 -9.5184 -9.0281 -9.0281 -5.3165 -5.3165 -4.8114 -4.8114 -1.7771 -1.7771 -0.6208 -0.6208 -0.2474 -0.2474 0.0198 0.0198 0.7624 0.7624 1.0945 1.0945 3.9942 3.9942 5.4564 5.4564 5.8329 5.8329 6.6987 6.6987 k = 0.3222 0.3241 0.1728 ( 7376 PWs) bands (ev): -15.4958 -15.4958 -15.4847 -15.4847 -15.4820 -15.4820 -15.4733 -15.4733 -12.9951 -12.9951 -12.9723 -12.9723 -12.9350 -12.9350 -12.9214 -12.9214 -12.9000 -12.9000 -12.8934 -12.8934 -9.5682 -9.5682 -9.0312 -9.0312 -5.3523 -5.3523 -4.7970 -4.7970 -1.7367 -1.7367 -0.5597 -0.5597 -0.1882 -0.1882 0.0432 0.0432 0.8297 0.8297 1.1885 1.1885 3.9194 3.9194 5.4410 5.4410 5.7587 5.7587 6.6634 6.6634 k = 0.3130 0.3148 0.1728 ( 7392 PWs) bands (ev): -15.4957 -15.4957 -15.4849 -15.4849 -15.4815 -15.4815 -15.4733 -15.4733 -12.9933 -12.9933 -12.9694 -12.9694 -12.9350 -12.9350 -12.9213 -12.9213 -12.9012 -12.9012 -12.8945 -12.8945 -9.6186 -9.6186 -9.0350 -9.0350 -5.3846 -5.3846 -4.7793 -4.7793 -1.6947 -1.6947 -0.5062 -0.5062 -0.1899 -0.1899 0.1367 0.1367 0.8864 0.8864 1.2886 1.2886 3.8526 3.8526 5.4113 5.4113 5.6895 5.6895 6.6158 6.6158 k = 0.3038 0.3056 0.1728 ( 7398 PWs) bands (ev): -15.4956 -15.4956 -15.4851 -15.4851 -15.4811 -15.4811 -15.4733 -15.4733 -12.9916 -12.9916 -12.9666 -12.9666 -12.9349 -12.9349 -12.9211 -12.9211 -12.9023 -12.9023 -12.8955 -12.8955 -9.6694 -9.6694 -9.0393 -9.0393 -5.4132 -5.4132 -4.7584 -4.7584 -1.6514 -1.6514 -0.4585 -0.4585 -0.2209 -0.2209 0.2667 0.2667 0.9363 0.9363 1.3877 1.3877 3.7960 3.7960 5.3619 5.3619 5.6313 5.6313 6.5571 6.5571 k = 0.2946 0.2963 0.1728 ( 7402 PWs) bands (ev): -15.4955 -15.4955 -15.4853 -15.4853 -15.4807 -15.4807 -15.4734 -15.4734 -12.9901 -12.9901 -12.9638 -12.9638 -12.9348 -12.9348 -12.9209 -12.9209 -12.9035 -12.9035 -12.8966 -12.8966 -9.7203 -9.7203 -9.0442 -9.0442 -5.4379 -5.4379 -4.7343 -4.7343 -1.6068 -1.6068 -0.4180 -0.4180 -0.2568 -0.2568 0.4094 0.4094 0.9820 0.9820 1.4795 1.4795 3.7520 3.7520 5.2924 5.2924 5.5851 5.5851 6.4912 6.4912 k = 0.2854 0.2870 0.1728 ( 7412 PWs) bands (ev): -15.4955 -15.4955 -15.4855 -15.4855 -15.4803 -15.4803 -15.4734 -15.4734 -12.9889 -12.9889 -12.9610 -12.9610 -12.9346 -12.9346 -12.9206 -12.9206 -12.9047 -12.9047 -12.8976 -12.8976 -9.7711 -9.7711 -9.0497 -9.0497 -5.4585 -5.4585 -4.7070 -4.7070 -1.5612 -1.5612 -0.3954 -0.3954 -0.2793 -0.2793 0.5566 0.5566 1.0252 1.0252 1.5588 1.5588 3.7229 3.7229 5.2088 5.2088 5.5457 5.5457 6.4234 6.4234 k = 0.2762 0.2778 0.1728 ( 7400 PWs) bands (ev): -15.4954 -15.4954 -15.4857 -15.4857 -15.4799 -15.4799 -15.4734 -15.4734 -12.9878 -12.9878 -12.9583 -12.9583 -12.9344 -12.9344 -12.9203 -12.9203 -12.9058 -12.9058 -12.8986 -12.8986 -9.8216 -9.8216 -9.0559 -9.0559 -5.4750 -5.4750 -4.6767 -4.6767 -1.5146 -1.5146 -0.4089 -0.4089 -0.2672 -0.2672 0.7040 0.7040 1.0671 1.0671 1.6217 1.6217 3.7102 3.7102 5.1189 5.1189 5.5069 5.5069 6.3586 6.3586 k = 0.2670 0.2685 0.1728 ( 7404 PWs) bands (ev): -15.4954 -15.4954 -15.4859 -15.4859 -15.4796 -15.4796 -15.4735 -15.4735 -12.9870 -12.9870 -12.9556 -12.9556 -12.9342 -12.9342 -12.9200 -12.9200 -12.9070 -12.9070 -12.8995 -12.8995 -9.8718 -9.8718 -9.0626 -9.0626 -5.4873 -5.4873 -4.6434 -4.6434 -1.4673 -1.4673 -0.4459 -0.4459 -0.2319 -0.2319 0.8478 0.8478 1.1089 1.1089 1.6656 1.6656 3.7142 3.7142 5.0292 5.0292 5.4648 5.4648 6.3004 6.3004 k = 0.2578 0.2593 0.1728 ( 7420 PWs) bands (ev): -15.4954 -15.4954 -15.4861 -15.4861 -15.4792 -15.4792 -15.4735 -15.4735 -12.9864 -12.9864 -12.9529 -12.9529 -12.9340 -12.9340 -12.9197 -12.9197 -12.9081 -12.9081 -12.9004 -12.9004 -9.9213 -9.9213 -9.0700 -9.0700 -5.4954 -5.4954 -4.6073 -4.6073 -1.4194 -1.4194 -0.4897 -0.4897 -0.1892 -0.1892 0.9816 0.9816 1.1543 1.1543 1.6899 1.6899 3.7327 3.7327 4.9454 4.9454 5.4181 5.4181 6.2512 6.2512 k = 0.2486 0.2500 0.1728 ( 7408 PWs) bands (ev): -15.4954 -15.4954 -15.4864 -15.4864 -15.4790 -15.4790 -15.4736 -15.4736 -12.9860 -12.9860 -12.9504 -12.9504 -12.9337 -12.9337 -12.9194 -12.9194 -12.9092 -12.9092 -12.9011 -12.9011 -9.9700 -9.9700 -9.0778 -9.0778 -5.4993 -5.4993 -4.5684 -4.5684 -1.3713 -1.3713 -0.5347 -0.5347 -0.1441 -0.1441 1.0884 1.0884 1.2170 1.2170 1.6964 1.6964 3.7606 3.7606 4.8735 4.8735 5.3680 5.3680 6.2117 6.2117 k = 0.2394 0.2407 0.1728 ( 7404 PWs) bands (ev): -15.4954 -15.4954 -15.4866 -15.4866 -15.4787 -15.4787 -15.4736 -15.4736 -12.9859 -12.9859 -12.9480 -12.9480 -12.9334 -12.9334 -12.9193 -12.9193 -12.9102 -12.9102 -12.9016 -12.9016 -10.0179 -10.0179 -9.0862 -9.0862 -5.4991 -5.4991 -4.5268 -4.5268 -1.3231 -1.3231 -0.5791 -0.5791 -0.0979 -0.0979 1.1476 1.1476 1.3128 1.3128 1.6893 1.6893 3.7902 3.7902 4.8197 4.8197 5.3172 5.3172 6.1817 6.1817 k = 0.2302 0.2315 0.1728 ( 7410 PWs) bands (ev): -15.4955 -15.4955 -15.4868 -15.4868 -15.4785 -15.4785 -15.4737 -15.4737 -12.9859 -12.9859 -12.9459 -12.9459 -12.9330 -12.9330 -12.9192 -12.9192 -12.9112 -12.9112 -12.9019 -12.9019 -10.0647 -10.0647 -9.0951 -9.0951 -5.4948 -5.4948 -4.4828 -4.4828 -1.2754 -1.2754 -0.6219 -0.6219 -0.0514 -0.0514 1.1739 1.1739 1.4205 1.4205 1.6752 1.6752 3.8122 3.8122 4.7902 4.7902 5.2700 5.2700 6.1602 6.1602 k = 0.2210 0.2222 0.1728 ( 7402 PWs) bands (ev): -15.4955 -15.4955 -15.4870 -15.4870 -15.4783 -15.4783 -15.4738 -15.4738 -12.9862 -12.9862 -12.9440 -12.9440 -12.9325 -12.9325 -12.9193 -12.9193 -12.9121 -12.9121 -12.9021 -12.9021 -10.1104 -10.1104 -9.1043 -9.1043 -5.4865 -5.4865 -4.4364 -4.4364 -1.2287 -1.2287 -0.6621 -0.6621 -0.0047 -0.0047 1.1791 1.1791 1.5181 1.5181 1.6649 1.6649 3.8189 3.8189 4.7882 4.7882 5.2322 5.2322 6.1463 6.1463 k = 0.2118 0.2130 0.1728 ( 7402 PWs) bands (ev): -15.4956 -15.4956 -15.4873 -15.4873 -15.4782 -15.4782 -15.4739 -15.4739 -12.9866 -12.9866 -12.9426 -12.9426 -12.9319 -12.9319 -12.9196 -12.9196 -12.9129 -12.9129 -12.9019 -12.9019 -10.1547 -10.1547 -9.1138 -9.1138 -5.4745 -5.4745 -4.3879 -4.3879 -1.1838 -1.1838 -0.6988 -0.6988 0.0418 0.0418 1.1635 1.1635 1.5853 1.5853 1.6783 1.6783 3.8074 3.8074 4.8103 4.8103 5.2108 5.2108 6.1393 6.1393 k = 0.2026 0.2037 0.1728 ( 7398 PWs) bands (ev): -15.4957 -15.4957 -15.4875 -15.4875 -15.4781 -15.4781 -15.4740 -15.4740 -12.9871 -12.9871 -12.9415 -12.9415 -12.9311 -12.9311 -12.9201 -12.9201 -12.9135 -12.9135 -12.9016 -12.9016 -10.1977 -10.1977 -9.1237 -9.1237 -5.4588 -5.4588 -4.3374 -4.3374 -1.1420 -1.1420 -0.7307 -0.7307 0.0879 0.0879 1.1262 1.1262 1.6118 1.6118 1.7261 1.7261 3.7800 3.7800 4.8460 4.8460 5.2142 5.2142 6.1390 6.1390 k = 0.1933 0.1944 0.1728 ( 7402 PWs) bands (ev): -15.4959 -15.4959 -15.4877 -15.4877 -15.4780 -15.4780 -15.4741 -15.4741 -12.9878 -12.9878 -12.9408 -12.9408 -12.9301 -12.9301 -12.9207 -12.9207 -12.9140 -12.9140 -12.9011 -12.9011 -10.2393 -10.2393 -9.1337 -9.1337 -5.4397 -5.4397 -4.2851 -4.2851 -1.1050 -1.1050 -0.7559 -0.7559 0.1334 0.1334 1.0695 1.0695 1.6287 1.6287 1.7749 1.7749 3.7421 3.7421 4.8837 4.8837 5.2483 5.2483 6.1459 6.1459 k = 0.1841 0.1852 0.1728 ( 7408 PWs) bands (ev): -15.4960 -15.4960 -15.4879 -15.4879 -15.4779 -15.4779 -15.4743 -15.4743 -12.9886 -12.9886 -12.9404 -12.9404 -12.9293 -12.9293 -12.9214 -12.9214 -12.9142 -12.9142 -12.9004 -12.9004 -10.2792 -10.2792 -9.1438 -9.1438 -5.4174 -5.4174 -4.2313 -4.2313 -1.0757 -1.0757 -0.7718 -0.7718 0.1781 0.1781 0.9978 0.9978 1.6484 1.6484 1.8079 1.8079 3.6987 3.6987 4.9189 4.9189 5.3103 5.3103 6.1612 6.1612 k = 0.1749 0.1759 0.1728 ( 7414 PWs) bands (ev): -15.4961 -15.4961 -15.4881 -15.4881 -15.4779 -15.4779 -15.4744 -15.4744 -12.9895 -12.9895 -12.9403 -12.9403 -12.9285 -12.9285 -12.9222 -12.9222 -12.9143 -12.9143 -12.8996 -12.8996 -10.3176 -10.3176 -9.1540 -9.1540 -5.3921 -5.3921 -4.1762 -4.1762 -1.0568 -1.0568 -0.7756 -0.7756 0.2219 0.2219 0.9155 0.9155 1.6702 1.6702 1.8225 1.8225 3.6534 3.6534 4.9557 4.9557 5.3893 5.3893 6.1866 6.1866 k = 0.1657 0.1667 0.1728 ( 7416 PWs) bands (ev): -15.4963 -15.4963 -15.4883 -15.4883 -15.4779 -15.4779 -15.4745 -15.4745 -12.9904 -12.9904 -12.9403 -12.9403 -12.9280 -12.9280 -12.9231 -12.9231 -12.9141 -12.9141 -12.8987 -12.8987 -10.3542 -10.3542 -9.1642 -9.1642 -5.3642 -5.3642 -4.1201 -4.1201 -1.0498 -1.0498 -0.7659 -0.7659 0.2645 0.2645 0.8261 0.8261 1.6892 1.6892 1.8219 1.8219 3.6080 3.6080 4.9990 4.9990 5.4726 5.4726 6.2242 6.2242 k = 0.1565 0.1574 0.1728 ( 7404 PWs) bands (ev): -15.4965 -15.4965 -15.4885 -15.4885 -15.4779 -15.4779 -15.4747 -15.4747 -12.9914 -12.9914 -12.9404 -12.9404 -12.9277 -12.9277 -12.9240 -12.9240 -12.9136 -12.9136 -12.8978 -12.8978 -10.3891 -10.3891 -9.1743 -9.1743 -5.3339 -5.3339 -4.0633 -4.0633 -1.0529 -1.0529 -0.7445 -0.7445 0.3056 0.3056 0.7325 0.7325 1.6947 1.6947 1.8173 1.8173 3.5635 3.5635 5.0513 5.0513 5.5509 5.5509 6.2752 6.2752 k = 0.1473 0.1482 0.1728 ( 7408 PWs) bands (ev): -15.4966 -15.4966 -15.4887 -15.4887 -15.4780 -15.4780 -15.4748 -15.4748 -12.9925 -12.9925 -12.9406 -12.9406 -12.9276 -12.9276 -12.9248 -12.9248 -12.9131 -12.9131 -12.8968 -12.8968 -10.4222 -10.4222 -9.1842 -9.1842 -5.3017 -5.3017 -4.0061 -4.0061 -1.0626 -1.0626 -0.7153 -0.7153 0.3451 0.3451 0.6368 0.6368 1.6725 1.6725 1.8244 1.8244 3.5200 3.5200 5.1119 5.1119 5.6192 5.6192 6.3386 6.3386 k = 0.1381 0.1389 0.1728 ( 7422 PWs) bands (ev): -15.4968 -15.4968 -15.4889 -15.4889 -15.4781 -15.4781 -15.4750 -15.4750 -12.9936 -12.9936 -12.9409 -12.9409 -12.9278 -12.9278 -12.9257 -12.9257 -12.9124 -12.9124 -12.8958 -12.8958 -10.4534 -10.4534 -9.1938 -9.1938 -5.2677 -5.2677 -3.9489 -3.9489 -1.0753 -1.0753 -0.6817 -0.6817 0.3825 0.3825 0.5409 0.5409 1.6233 1.6233 1.8449 1.8449 3.4777 3.4777 5.1781 5.1781 5.6767 5.6767 6.4102 6.4102 k = 0.1289 0.1296 0.1728 ( 7434 PWs) bands (ev): -15.4970 -15.4970 -15.4890 -15.4890 -15.4782 -15.4782 -15.4751 -15.4751 -12.9947 -12.9947 -12.9412 -12.9412 -12.9280 -12.9280 -12.9265 -12.9265 -12.9116 -12.9116 -12.8948 -12.8948 -10.4827 -10.4827 -9.2031 -9.2031 -5.2326 -5.2326 -3.8920 -3.8920 -1.0890 -1.0890 -0.6463 -0.6463 0.4148 0.4148 0.4488 0.4488 1.5572 1.5572 1.8716 1.8716 3.4368 3.4368 5.2458 5.2458 5.7257 5.7257 6.4831 6.4831 k = 0.1197 0.1204 0.1728 ( 7428 PWs) bands (ev): -15.4972 -15.4972 -15.4892 -15.4892 -15.4783 -15.4783 -15.4753 -15.4753 -12.9958 -12.9958 -12.9416 -12.9416 -12.9285 -12.9285 -12.9272 -12.9272 -12.9109 -12.9109 -12.8938 -12.8938 -10.5101 -10.5101 -9.2121 -9.2121 -5.1966 -5.1966 -3.8360 -3.8360 -1.1020 -1.1020 -0.6108 -0.6108 0.3504 0.3504 0.4532 0.4532 1.4810 1.4810 1.9003 1.9003 3.3974 3.3974 5.3103 5.3103 5.7697 5.7697 6.5487 6.5487 k = 0.1105 0.1111 0.1728 ( 7418 PWs) bands (ev): -15.4973 -15.4973 -15.4893 -15.4893 -15.4784 -15.4784 -15.4754 -15.4754 -12.9969 -12.9969 -12.9419 -12.9419 -12.9290 -12.9290 -12.9278 -12.9278 -12.9102 -12.9102 -12.8928 -12.8928 -10.5356 -10.5356 -9.2206 -9.2206 -5.1603 -5.1603 -3.7812 -3.7812 -1.1136 -1.1136 -0.5765 -0.5765 0.2613 0.2613 0.4829 0.4829 1.3992 1.3992 1.9292 1.9292 3.3597 3.3597 5.3675 5.3675 5.8113 5.8113 6.5995 6.5995 k = 0.1013 0.1019 0.1728 ( 7402 PWs) bands (ev): -15.4975 -15.4975 -15.4895 -15.4895 -15.4785 -15.4785 -15.4755 -15.4755 -12.9979 -12.9979 -12.9422 -12.9422 -12.9296 -12.9296 -12.9284 -12.9284 -12.9095 -12.9095 -12.8919 -12.8919 -10.5590 -10.5590 -9.2286 -9.2286 -5.1241 -5.1241 -3.7281 -3.7281 -1.1233 -1.1233 -0.5442 -0.5442 0.1763 0.1763 0.5098 0.5098 1.3152 1.3152 1.9572 1.9572 3.3242 3.3242 5.4147 5.4147 5.8518 5.8518 6.6376 6.6376 k = 0.0921 0.0926 0.1728 ( 7398 PWs) bands (ev): -15.4977 -15.4977 -15.4896 -15.4896 -15.4786 -15.4786 -15.4757 -15.4757 -12.9989 -12.9989 -12.9426 -12.9426 -12.9301 -12.9301 -12.9289 -12.9289 -12.9089 -12.9089 -12.8911 -12.8911 -10.5805 -10.5805 -9.2361 -9.2361 -5.0885 -5.0885 -3.6772 -3.6772 -1.1308 -1.1308 -0.5149 -0.5149 0.0970 0.0970 0.5331 0.5331 1.2317 1.2317 1.9839 1.9839 3.2910 3.2910 5.4510 5.4510 5.8904 5.8904 6.6724 6.6724 k = 0.0829 0.0833 0.1728 ( 7410 PWs) bands (ev): -15.4978 -15.4978 -15.4897 -15.4897 -15.4787 -15.4787 -15.4758 -15.4758 -12.9999 -12.9999 -12.9429 -12.9429 -12.9307 -12.9307 -12.9293 -12.9293 -12.9084 -12.9084 -12.8902 -12.8902 -10.5999 -10.5999 -9.2430 -9.2430 -5.0540 -5.0540 -3.6292 -3.6292 -1.1360 -1.1360 -0.4896 -0.4896 0.0248 0.0248 0.5518 0.5518 1.1516 1.1516 2.0089 2.0089 3.2604 3.2604 5.4777 5.4777 5.9252 5.9252 6.7093 6.7093 k = 0.0737 0.0741 0.1728 ( 7408 PWs) bands (ev): -15.4980 -15.4980 -15.4898 -15.4898 -15.4788 -15.4788 -15.4759 -15.4759 -13.0008 -13.0008 -12.9432 -12.9432 -12.9313 -12.9313 -12.9297 -12.9297 -12.9079 -12.9079 -12.8895 -12.8895 -10.6174 -10.6174 -9.2493 -9.2493 -5.0213 -5.0213 -3.5843 -3.5843 -1.1390 -1.1390 -0.4693 -0.4693 -0.0388 -0.0388 0.5650 0.5650 1.0776 1.0776 2.0318 2.0318 3.2326 3.2326 5.4965 5.4965 5.9549 5.9549 6.7490 6.7490 k = 0.0644 0.0648 0.1728 ( 7414 PWs) bands (ev): -15.4981 -15.4981 -15.4899 -15.4899 -15.4789 -15.4789 -15.4760 -15.4760 -13.0016 -13.0016 -12.9434 -12.9434 -12.9318 -12.9318 -12.9301 -12.9301 -12.9075 -12.9075 -12.8888 -12.8888 -10.6328 -10.6328 -9.2549 -9.2549 -4.9907 -4.9907 -3.5433 -3.5433 -1.1401 -1.1401 -0.4553 -0.4553 -0.0921 -0.0921 0.5717 0.5717 1.0123 1.0123 2.0525 2.0525 3.2078 3.2078 5.5093 5.5093 5.9786 5.9786 6.7897 6.7897 k = 0.0552 0.0556 0.1728 ( 7406 PWs) bands (ev): -15.4982 -15.4982 -15.4900 -15.4900 -15.4790 -15.4790 -15.4761 -15.4761 -13.0023 -13.0023 -12.9437 -12.9437 -12.9322 -12.9322 -12.9304 -12.9304 -12.9072 -12.9072 -12.8882 -12.8882 -10.6461 -10.6461 -9.2598 -9.2598 -4.9630 -4.9630 -3.5066 -3.5066 -1.1395 -1.1395 -0.4484 -0.4484 -0.1338 -0.1338 0.5708 0.5708 0.9583 0.9583 2.0707 2.0707 3.1862 3.1862 5.5180 5.5180 5.9966 5.9966 6.8278 6.8278 k = 0.0460 0.0463 0.1728 ( 7404 PWs) bands (ev): -15.4983 -15.4983 -15.4901 -15.4901 -15.4791 -15.4791 -15.4762 -15.4762 -13.0029 -13.0029 -12.9439 -12.9439 -12.9326 -12.9326 -12.9307 -12.9307 -12.9069 -12.9069 -12.8877 -12.8877 -10.6574 -10.6574 -9.2641 -9.2641 -4.9384 -4.9384 -3.4746 -3.4746 -1.1376 -1.1376 -0.4490 -0.4490 -0.1633 -0.1633 0.5623 0.5623 0.9172 0.9172 2.0864 2.0864 3.1677 3.1677 5.5237 5.5237 6.0098 6.0098 6.8573 6.8573 k = 0.0368 0.0370 0.1728 ( 7404 PWs) bands (ev): -15.4984 -15.4984 -15.4901 -15.4901 -15.4792 -15.4792 -15.4762 -15.4762 -13.0035 -13.0035 -12.9441 -12.9441 -12.9329 -12.9329 -12.9309 -12.9309 -12.9067 -12.9067 -12.8873 -12.8873 -10.6667 -10.6667 -9.2675 -9.2675 -4.9176 -4.9176 -3.4479 -3.4479 -1.1351 -1.1351 -0.4555 -0.4555 -0.1817 -0.1817 0.5477 0.5477 0.8887 0.8887 2.0993 2.0993 3.1526 3.1526 5.5273 5.5273 6.0191 6.0191 6.8740 6.8740 k = 0.0276 0.0278 0.1728 ( 7398 PWs) bands (ev): -15.4985 -15.4985 -15.4902 -15.4902 -15.4793 -15.4793 -15.4763 -15.4763 -13.0039 -13.0039 -12.9442 -12.9442 -12.9332 -12.9332 -12.9311 -12.9311 -12.9065 -12.9065 -12.8870 -12.8870 -10.6739 -10.6739 -9.2703 -9.2703 -4.9010 -4.9010 -3.4266 -3.4266 -1.1324 -1.1324 -0.4649 -0.4649 -0.1918 -0.1918 0.5306 0.5306 0.8707 0.8707 2.1095 2.1095 3.1407 3.1407 5.5296 5.5296 6.0254 6.0254 6.8825 6.8825 k = 0.0184 0.0185 0.1728 ( 7408 PWs) bands (ev): -15.4985 -15.4985 -15.4902 -15.4902 -15.4793 -15.4793 -15.4763 -15.4763 -13.0042 -13.0042 -12.9443 -12.9443 -12.9334 -12.9334 -12.9312 -12.9312 -12.9064 -12.9064 -12.8868 -12.8868 -10.6790 -10.6790 -9.2722 -9.2722 -4.8888 -4.8888 -3.4112 -3.4112 -1.1300 -1.1300 -0.4742 -0.4742 -0.1966 -0.1966 0.5150 0.5150 0.8604 0.8604 2.1168 2.1168 3.1323 3.1323 5.5309 5.5309 6.0294 6.0294 6.8870 6.8870 k = 0.0092 0.0093 0.1728 ( 7408 PWs) bands (ev): -15.4985 -15.4985 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6821 -10.6821 -9.2734 -9.2734 -4.8814 -4.8814 -3.4019 -3.4019 -1.1284 -1.1284 -0.4807 -0.4807 -0.1986 -0.1986 0.5042 0.5042 0.8552 0.8552 2.1212 2.1212 3.1272 3.1272 5.5316 5.5316 6.0317 6.0317 6.8893 6.8893 k = 0.0000 0.0000 0.1728 ( 7414 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3988 -3.3988 -1.1279 -1.1279 -0.4830 -0.4830 -0.1991 -0.1991 0.5003 0.5003 0.8536 0.8536 2.1227 2.1227 3.1255 3.1255 5.5319 5.5319 6.0324 6.0324 6.8900 6.8900 k = 0.0000 0.0000 0.1728 ( 7414 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3988 -3.3988 -1.1279 -1.1279 -0.4830 -0.4830 -0.1991 -0.1991 0.5003 0.5003 0.8536 0.8536 2.1227 2.1227 3.1255 3.1255 5.5319 5.5319 6.0324 6.0324 6.8900 6.8900 k = 0.0000 0.0000 0.1605 ( 7412 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3988 -3.3988 -1.1279 -1.1279 -0.4830 -0.4830 -0.1991 -0.1991 0.5003 0.5004 0.8536 0.8536 2.1227 2.1227 3.1266 3.1266 5.5123 5.5227 6.0370 6.0548 6.8781 6.8903 k = 0.0000 0.0000 0.1481 ( 7419 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3988 -3.3988 -1.1280 -1.1279 -0.4830 -0.4830 -0.1991 -0.1991 0.5003 0.5004 0.8536 0.8536 2.1227 2.1228 3.1298 3.1298 5.4702 5.4875 6.0662 6.0977 6.8606 6.8785 k = 0.0000 0.0000 0.1358 ( 7411 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3989 -3.3989 -1.1280 -1.1280 -0.4831 -0.4830 -0.1991 -0.1991 0.5003 0.5004 0.8536 0.8536 2.1228 2.1228 3.1350 3.1350 5.4146 5.4348 6.1113 6.1520 6.8414 6.8604 k = 0.0000 0.0000 0.1234 ( 7405 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3989 -3.3989 -1.1282 -1.1281 -0.4831 -0.4830 -0.1991 -0.1991 0.5003 0.5004 0.8536 0.8536 2.1229 2.1230 3.1420 3.1421 5.3526 5.3731 6.1644 6.2105 6.8219 6.8397 k = 0.0000 0.0000 0.1111 ( 7395 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3989 -3.3989 -1.1283 -1.1282 -0.4831 -0.4830 -0.1991 -0.1991 0.5003 0.5005 0.8536 0.8536 2.1230 2.1231 3.1506 3.1506 5.2886 5.3081 6.2198 6.2689 6.8026 6.8181 k = 0.0000 0.0000 0.0987 ( 7393 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3990 -3.3990 -1.1284 -1.1283 -0.4831 -0.4830 -0.1991 -0.1991 0.5003 0.5005 0.8536 0.8536 2.1231 2.1232 3.1603 3.1604 5.2257 5.2435 6.2745 6.3245 6.7837 6.7961 k = 0.0000 0.0000 0.0864 ( 7391 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3990 -3.3990 -1.1286 -1.1285 -0.4831 -0.4830 -0.1991 -0.1991 0.5003 0.5005 0.8536 0.8536 2.1233 2.1234 3.1708 3.1709 5.1660 5.1818 6.3267 6.3758 6.7651 6.7740 k = 0.0000 0.0000 0.0741 ( 7387 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8788 -4.8788 -3.3991 -3.3991 -1.1287 -1.1286 -0.4831 -0.4830 -0.1991 -0.1991 0.5003 0.5005 0.8536 0.8536 2.1234 2.1235 3.1815 3.1816 5.1112 5.1247 6.3754 6.4223 6.7465 6.7518 k = 0.0000 0.0000 0.0617 ( 7387 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8788 -4.8788 -3.3992 -3.3992 -1.1289 -1.1288 -0.4831 -0.4831 -0.1991 -0.1991 0.5004 0.5005 0.8536 0.8536 2.1235 2.1236 3.1920 3.1921 5.0625 5.0738 6.4203 6.4640 6.7280 6.7293 k = 0.0000 0.0000 0.0494 ( 7377 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8788 -4.8788 -3.3992 -3.3992 -1.1290 -1.1289 -0.4832 -0.4831 -0.1991 -0.1991 0.5004 0.5005 0.8536 0.8536 2.1237 2.1237 3.2016 3.2017 5.0212 5.0302 6.4614 6.5009 6.7066 6.7092 k = 0.0000 0.0000 0.0370 ( 7367 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6831 -10.6831 -9.2738 -9.2738 -4.8788 -4.8788 -3.3992 -3.3992 -1.1291 -1.1290 -0.4832 -0.4831 -0.1991 -0.1991 0.5004 0.5005 0.8536 0.8536 2.1238 2.1238 3.2098 3.2099 4.9882 4.9949 6.4988 6.5334 6.6836 6.6902 k = 0.0000 0.0000 0.0247 ( 7371 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6831 -10.6831 -9.2738 -9.2738 -4.8788 -4.8788 -3.3993 -3.3993 -1.1291 -1.1291 -0.4832 -0.4831 -0.1991 -0.1991 0.5004 0.5005 0.8536 0.8536 2.1238 2.1239 3.2161 3.2162 4.9643 4.9688 6.5324 6.5613 6.6610 6.6709 k = 0.0000 0.0000 0.0123 ( 7359 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6831 -10.6831 -9.2738 -9.2738 -4.8788 -4.8788 -3.3993 -3.3993 -1.1292 -1.1292 -0.4831 -0.4831 -0.1991 -0.1991 0.5005 0.5005 0.8536 0.8536 2.1239 2.1239 3.2201 3.2201 4.9502 4.9524 6.5618 6.5818 6.6416 6.6520 k = 0.0000 0.0000 0.0000 ( 7363 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6831 -10.6831 -9.2738 -9.2738 -4.8788 -4.8788 -3.3993 -3.3993 -1.1292 -1.1292 -0.4831 -0.4831 -0.1991 -0.1991 0.5005 0.5005 0.8536 0.8536 2.1239 2.1239 3.2214 3.2214 4.9462 4.9462 6.5827 6.5827 6.6377 6.6377 k = 0.0000 0.0000 0.0000 ( 7363 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6831 -10.6831 -9.2738 -9.2738 -4.8788 -4.8788 -3.3993 -3.3993 -1.1292 -1.1292 -0.4831 -0.4831 -0.1991 -0.1991 0.5005 0.5005 0.8536 0.8536 2.1239 2.1239 3.2214 3.2214 4.9462 4.9462 6.5827 6.5827 6.6377 6.6377 k =-0.0093 0.0092 0.0000 ( 7369 PWs) bands (ev): -15.4986 -15.4985 -15.4903 -15.4901 -15.4795 -15.4791 -15.4764 -15.4763 -13.0045 -13.0042 -12.9445 -12.9442 -12.9335 -12.9334 -12.9313 -12.9313 -12.9063 -12.9063 -12.8867 -12.8866 -10.6822 -10.6820 -9.2736 -9.2731 -4.8812 -4.8812 -3.4022 -3.4022 -1.1311 -1.1285 -0.4831 -0.4822 -0.1983 -0.1951 0.5009 0.5037 0.8552 0.8585 2.1225 2.1226 3.2222 3.2237 4.9472 4.9473 6.5586 6.5648 6.6445 6.6543 k =-0.0185 0.0184 0.0000 ( 7366 PWs) bands (ev): -15.4986 -15.4984 -15.4904 -15.4900 -15.4797 -15.4789 -15.4764 -15.4763 -13.0045 -13.0039 -12.9445 -12.9440 -12.9335 -12.9333 -12.9312 -12.9312 -12.9064 -12.9064 -12.8868 -12.8867 -10.6793 -10.6788 -9.2726 -9.2716 -4.8883 -4.8883 -3.4110 -3.4108 -1.1340 -1.1288 -0.4825 -0.4809 -0.1923 -0.1862 0.5042 0.5099 0.8639 0.8704 2.1184 2.1185 3.2259 3.2291 4.9504 4.9506 6.5106 6.5253 6.6534 6.6764 k =-0.0278 0.0276 0.0000 ( 7370 PWs) bands (ev): -15.4987 -15.4983 -15.4905 -15.4898 -15.4799 -15.4787 -15.4764 -15.4763 -13.0043 -13.0036 -12.9445 -12.9438 -12.9335 -12.9331 -12.9311 -12.9310 -12.9066 -12.9065 -12.8871 -12.8869 -10.6742 -10.6736 -9.2707 -9.2693 -4.9000 -4.9000 -3.4254 -3.4252 -1.1377 -1.1300 -0.4823 -0.4804 -0.1799 -0.1713 0.5088 0.5176 0.8809 0.8903 2.1116 2.1117 3.2328 3.2375 4.9556 4.9561 6.4490 6.4759 6.6526 6.6945 k =-0.0370 0.0368 0.0000 ( 7374 PWs) bands (ev): -15.4986 -15.4981 -15.4905 -15.4897 -15.4800 -15.4785 -15.4764 -15.4762 -13.0040 -13.0031 -12.9444 -12.9435 -12.9334 -12.9329 -12.9308 -12.9308 -12.9068 -12.9067 -12.8875 -12.8872 -10.6672 -10.6664 -9.2680 -9.2661 -4.9160 -4.9160 -3.4453 -3.4450 -1.1417 -1.1317 -0.4838 -0.4823 -0.1596 -0.1492 0.5124 0.5244 0.9074 0.9196 2.1021 2.1023 3.2426 3.2489 4.9630 4.9636 6.3768 6.4178 6.6409 6.7058 k =-0.0463 0.0460 0.0000 ( 7390 PWs) bands (ev): -15.4986 -15.4980 -15.4905 -15.4895 -15.4802 -15.4782 -15.4763 -15.4762 -13.0037 -13.0025 -12.9443 -12.9431 -12.9332 -12.9327 -12.9305 -12.9305 -12.9071 -12.9070 -12.8880 -12.8875 -10.6581 -10.6571 -9.2644 -9.2622 -4.9361 -4.9361 -3.4705 -3.4701 -1.1456 -1.1334 -0.4885 -0.4881 -0.1301 -0.1187 0.5129 0.5282 0.9447 0.9592 2.0900 2.0903 3.2555 3.2633 4.9724 4.9732 6.2954 6.3504 6.6188 6.7089 k =-0.0556 0.0552 0.0000 ( 7402 PWs) bands (ev): -15.4986 -15.4978 -15.4905 -15.4893 -15.4803 -15.4780 -15.4763 -15.4761 -13.0032 -13.0018 -12.9441 -12.9428 -12.9330 -12.9324 -12.9302 -12.9302 -12.9074 -12.9073 -12.8885 -12.8880 -10.6469 -10.6457 -9.2601 -9.2574 -4.9598 -4.9597 -3.5005 -3.5000 -1.1488 -1.1347 -0.4986 -0.4974 -0.0908 -0.0790 0.5089 0.5278 0.9929 1.0094 2.0753 2.0757 3.2713 3.2807 4.9837 4.9847 6.2062 6.2734 6.5873 6.7024 k =-0.0648 0.0644 0.0000 ( 7400 PWs) bands (ev): -15.4985 -15.4976 -15.4905 -15.4891 -15.4805 -15.4777 -15.4762 -15.4760 -13.0026 -13.0011 -12.9438 -12.9424 -12.9328 -12.9321 -12.9298 -12.9297 -12.9077 -12.9077 -12.8892 -12.8886 -10.6337 -10.6324 -9.2550 -9.2519 -4.9866 -4.9866 -3.5350 -3.5345 -1.1510 -1.1349 -0.5139 -0.5107 -0.0418 -0.0302 0.4999 0.5224 1.0511 1.0695 2.0580 2.0586 3.2900 3.3010 4.9969 4.9980 6.1103 6.1866 6.5472 6.6851 k =-0.0741 0.0737 0.0000 ( 7392 PWs) bands (ev): -15.4984 -15.4974 -15.4904 -15.4889 -15.4806 -15.4775 -15.4762 -15.4760 -13.0019 -13.0003 -12.9435 -12.9420 -12.9326 -12.9318 -12.9294 -12.9292 -12.9082 -12.9082 -12.8899 -12.8892 -10.6185 -10.6170 -9.2491 -9.2456 -5.0162 -5.0161 -3.5736 -3.5730 -1.1516 -1.1337 -0.5338 -0.5284 0.0163 0.0273 0.4860 0.5122 1.1180 1.1379 2.0384 2.0393 3.3115 3.3241 5.0117 5.0130 6.0090 6.0906 6.4989 6.6561 k =-0.0833 0.0829 0.0000 ( 7396 PWs) bands (ev): -15.4984 -15.4971 -15.4904 -15.4886 -15.4807 -15.4772 -15.4761 -15.4759 -13.0012 -12.9994 -12.9431 -12.9416 -12.9324 -12.9314 -12.9289 -12.9286 -12.9087 -12.9086 -12.8907 -12.8899 -10.6013 -10.5996 -9.2425 -9.2386 -5.0480 -5.0478 -3.6159 -3.6152 -1.1506 -1.1308 -0.5578 -0.5502 0.0825 0.0927 0.4675 0.4975 1.1914 1.2127 2.0165 2.0178 3.3357 3.3499 5.0278 5.0294 5.9038 5.9867 6.4425 6.6144 k =-0.0926 0.0921 0.0000 ( 7414 PWs) bands (ev): -15.4983 -15.4969 -15.4903 -15.4884 -15.4808 -15.4770 -15.4761 -15.4758 -13.0003 -12.9985 -12.9427 -12.9411 -12.9321 -12.9310 -12.9284 -12.9280 -12.9094 -12.9091 -12.8916 -12.8906 -10.5820 -10.5802 -9.2352 -9.2310 -5.0815 -5.0812 -3.6612 -3.6606 -1.1476 -1.1260 -0.5851 -0.5754 0.1559 0.1650 0.4452 0.4788 1.2694 1.2919 1.9926 1.9943 3.3624 3.3782 5.0449 5.0468 5.7964 5.8772 6.3781 6.5589 k =-0.1019 0.1013 0.0000 ( 7410 PWs) bands (ev): -15.4982 -15.4966 -15.4902 -15.4882 -15.4809 -15.4767 -15.4760 -15.4757 -12.9994 -12.9976 -12.9423 -12.9407 -12.9319 -12.9306 -12.9279 -12.9273 -12.9101 -12.9096 -12.8926 -12.8915 -10.5607 -10.5588 -9.2272 -9.2227 -5.1162 -5.1158 -3.7093 -3.7087 -1.1427 -1.1192 -0.6150 -0.6036 0.2354 0.2429 0.4198 0.4565 1.3497 1.3733 1.9668 1.9691 3.3914 3.4087 5.0624 5.0646 5.6888 5.7647 6.3054 6.4889 k =-0.1111 0.1105 0.0000 ( 7402 PWs) bands (ev): -15.4981 -15.4963 -15.4901 -15.4879 -15.4810 -15.4765 -15.4759 -15.4756 -12.9984 -12.9966 -12.9418 -12.9404 -12.9317 -12.9302 -12.9273 -12.9266 -12.9109 -12.9101 -12.8936 -12.8924 -10.5375 -10.5355 -9.2187 -9.2138 -5.1516 -5.1510 -3.7595 -3.7589 -1.1362 -1.1104 -0.6469 -0.6341 0.3201 0.3223 0.3947 0.4312 1.4298 1.4544 1.9394 1.9425 3.4223 3.4413 5.0793 5.0818 5.5839 5.6526 6.2245 6.4043 k =-0.1204 0.1197 0.0000 ( 7398 PWs) bands (ev): -15.4979 -15.4960 -15.4899 -15.4877 -15.4811 -15.4763 -15.4759 -15.4755 -12.9974 -12.9957 -12.9412 -12.9400 -12.9316 -12.9298 -12.9267 -12.9259 -12.9118 -12.9105 -12.8946 -12.8933 -10.5123 -10.5102 -9.2096 -9.2044 -5.1871 -5.1865 -3.8114 -3.8109 -1.1283 -1.1000 -0.6799 -0.6661 0.3484 0.4015 0.4105 0.4243 1.5072 1.5327 1.9108 1.9149 3.4551 3.4755 5.0938 5.0963 5.4851 5.5451 6.1363 6.3063 k =-0.1296 0.1289 0.0000 ( 7394 PWs) bands (ev): -15.4978 -15.4957 -15.4898 -15.4875 -15.4812 -15.4761 -15.4758 -15.4754 -12.9963 -12.9948 -12.9407 -12.9398 -12.9315 -12.9293 -12.9261 -12.9252 -12.9127 -12.9109 -12.8957 -12.8943 -10.4852 -10.4830 -9.1999 -9.1945 -5.2225 -5.2216 -3.8645 -3.8641 -1.1199 -1.0886 -0.7130 -0.6987 0.3177 0.3725 0.5010 0.5111 1.5788 1.6052 1.8816 1.8871 3.4893 3.5111 5.1028 5.1044 5.3980 5.4472 6.0423 6.1977 k =-0.1389 0.1381 0.0000 ( 7392 PWs) bands (ev): -15.4977 -15.4953 -15.4896 -15.4873 -15.4813 -15.4758 -15.4757 -15.4753 -12.9953 -12.9939 -12.9401 -12.9397 -12.9315 -12.9288 -12.9255 -12.9245 -12.9136 -12.9112 -12.8968 -12.8952 -10.4562 -10.4539 -9.1898 -9.1842 -5.2571 -5.2561 -3.9185 -3.9181 -1.1122 -1.0770 -0.7445 -0.7307 0.2813 0.3399 0.5948 0.6033 1.6410 1.6679 1.8530 1.8603 3.5250 3.5478 5.0992 5.1007 5.3304 5.3658 5.9455 6.0830 k =-0.1481 0.1473 0.0000 ( 7404 PWs) bands (ev): -15.4976 -15.4950 -15.4895 -15.4871 -15.4814 -15.4757 -15.4756 -15.4752 -12.9942 -12.9930 -12.9397 -12.9396 -12.9317 -12.9283 -12.9248 -12.9240 -12.9145 -12.9114 -12.8979 -12.8962 -10.4253 -10.4230 -9.1794 -9.1735 -5.2906 -5.2895 -3.9728 -3.9726 -1.1068 -1.0672 -0.7727 -0.7600 0.2424 0.3055 0.6895 0.6967 1.6885 1.7150 1.8279 1.8367 3.5620 3.5855 5.0741 5.0809 5.2887 5.3069 5.8511 5.9684 k =-0.1574 0.1565 0.0000 ( 7404 PWs) bands (ev): -15.4975 -15.4946 -15.4893 -15.4869 -15.4815 -15.4756 -15.4755 -15.4752 -12.9931 -12.9922 -12.9400 -12.9390 -12.9318 -12.9279 -12.9241 -12.9237 -12.9151 -12.9115 -12.8990 -12.8972 -10.3926 -10.3903 -9.1686 -9.1625 -5.3226 -5.3214 -4.0272 -4.0270 -1.1063 -1.0615 -0.7949 -0.7839 0.2015 0.2696 0.7836 0.7897 1.7146 1.7356 1.8145 1.8208 3.6007 3.6241 5.0329 5.0435 5.2668 5.2676 5.7670 5.8623 k =-0.1667 0.1657 0.0000 ( 7408 PWs) bands (ev): -15.4974 -15.4943 -15.4891 -15.4868 -15.4816 -15.4756 -15.4753 -15.4751 -12.9920 -12.9914 -12.9406 -12.9386 -12.9320 -12.9274 -12.9238 -12.9234 -12.9154 -12.9114 -12.9000 -12.8982 -10.3581 -10.3558 -9.1575 -9.1513 -5.3527 -5.3514 -4.0812 -4.0812 -1.1133 -1.0634 -0.8082 -0.7989 0.1589 0.2323 0.8755 0.8804 1.7157 1.7255 1.8138 1.8145 3.6412 3.6633 4.9867 4.9973 5.2336 5.2488 5.7034 5.7753 k =-0.1759 0.1749 0.0000 ( 7414 PWs) bands (ev): -15.4973 -15.4939 -15.4889 -15.4867 -15.4817 -15.4756 -15.4751 -15.4750 -12.9909 -12.9908 -12.9415 -12.9382 -12.9321 -12.9270 -12.9244 -12.9226 -12.9152 -12.9113 -12.9010 -12.8991 -10.3219 -10.3196 -9.1463 -9.1400 -5.3806 -5.3793 -4.1347 -4.1345 -1.1297 -1.0756 -0.8109 -0.8021 0.1149 0.1941 0.9632 0.9668 1.7016 1.7021 1.8046 1.8091 3.6835 3.7028 4.9407 4.9483 5.1953 5.2242 5.6682 5.7179 k =-0.1852 0.1841 0.0000 ( 7418 PWs) bands (ev): -15.4972 -15.4936 -15.4887 -15.4866 -15.4818 -15.4756 -15.4750 -15.4749 -12.9902 -12.9899 -12.9428 -12.9380 -12.9323 -12.9266 -12.9254 -12.9218 -12.9147 -12.9111 -12.9019 -12.8998 -10.2841 -10.2817 -9.1350 -9.1286 -5.4060 -5.4046 -4.1872 -4.1868 -1.1551 -1.0984 -0.8031 -0.7932 0.0696 0.1550 1.0440 1.0462 1.6760 1.6836 1.7817 1.7872 3.7270 3.7412 4.8939 4.8953 5.1580 5.1952 5.6620 5.6942 k =-0.1944 0.1933 0.0000 ( 7420 PWs) bands (ev): -15.4972 -15.4932 -15.4885 -15.4866 -15.4819 -15.4756 -15.4749 -15.4748 -12.9897 -12.9890 -12.9443 -12.9380 -12.9323 -12.9265 -12.9262 -12.9210 -12.9139 -12.9109 -12.9027 -12.9004 -10.2447 -10.2423 -9.1236 -9.1172 -5.4286 -5.4272 -4.2385 -4.2380 -1.1881 -1.1297 -0.7864 -0.7741 0.0232 0.1156 1.1145 1.1152 1.6494 1.6677 1.7411 1.7489 3.7697 3.7757 4.8354 4.8440 5.1345 5.1739 5.6788 5.6996 k =-0.2037 0.2026 0.0000 ( 7422 PWs) bands (ev): -15.4971 -15.4929 -15.4882 -15.4866 -15.4819 -15.4757 -15.4748 -15.4747 -12.9894 -12.9881 -12.9462 -12.9384 -12.9324 -12.9276 -12.9260 -12.9203 -12.9128 -12.9107 -12.9033 -12.9008 -10.2037 -10.2014 -9.1123 -9.1059 -5.4482 -5.4468 -4.2883 -4.2876 -1.2264 -1.1669 -0.7631 -0.7476 -0.0241 0.0759 1.1697 1.1704 1.6151 1.6525 1.6871 1.7048 3.8018 3.8074 4.7737 4.7951 5.1312 5.1696 5.7125 5.7262 k =-0.2130 0.2118 0.0000 ( 7418 PWs) bands (ev): -15.4971 -15.4925 -15.4880 -15.4866 -15.4820 -15.4758 -15.4748 -15.4746 -12.9892 -12.9873 -12.9483 -12.9393 -12.9325 -12.9284 -12.9258 -12.9196 -12.9117 -12.9106 -12.9038 -12.9009 -10.1614 -10.1590 -9.1012 -9.0947 -5.4645 -5.4631 -4.3364 -4.3355 -1.2684 -1.2078 -0.7350 -0.7158 -0.0721 0.0365 1.2061 1.2070 1.5532 1.5936 1.6679 1.6794 3.8135 3.8341 4.7225 4.7587 5.1461 5.1830 5.7588 5.7683 k =-0.2222 0.2210 0.0000 ( 7402 PWs) bands (ev): -15.4971 -15.4922 -15.4878 -15.4867 -15.4820 -15.4759 -15.4747 -15.4744 -12.9891 -12.9867 -12.9506 -12.9406 -12.9326 -12.9290 -12.9258 -12.9190 -12.9105 -12.9105 -12.9040 -12.9007 -10.1177 -10.1154 -9.0902 -9.0838 -5.4773 -5.4761 -4.3826 -4.3815 -1.3127 -1.2510 -0.7037 -0.6801 -0.1206 -0.0022 1.2210 1.2229 1.4638 1.5011 1.6749 1.6769 3.8064 3.8438 4.6948 4.7463 5.1740 5.2101 5.8156 5.8225 k =-0.2315 0.2302 0.0000 ( 7398 PWs) bands (ev): -15.4971 -15.4919 -15.4875 -15.4868 -15.4821 -15.4761 -15.4747 -15.4743 -12.9892 -12.9862 -12.9530 -12.9424 -12.9327 -12.9293 -12.9259 -12.9185 -12.9104 -12.9092 -12.9041 -12.9002 -10.0728 -10.0705 -9.0796 -9.0732 -5.4865 -5.4854 -4.4266 -4.4253 -1.3584 -1.2956 -0.6704 -0.6419 -0.1693 -0.0398 1.2075 1.2210 1.3643 1.3952 1.6846 1.6871 3.7811 3.8340 4.6983 4.7636 5.2102 5.2459 5.8816 5.8869 k =-0.2407 0.2394 0.0000 ( 7398 PWs) bands (ev): -15.4971 -15.4916 -15.4873 -15.4870 -15.4821 -15.4763 -15.4747 -15.4742 -12.9895 -12.9859 -12.9555 -12.9446 -12.9330 -12.9294 -12.9260 -12.9183 -12.9101 -12.9079 -12.9040 -12.8996 -10.0268 -10.0245 -9.0692 -9.0630 -5.4919 -5.4910 -4.4684 -4.4669 -1.4049 -1.3408 -0.6365 -0.6020 -0.2180 -0.0754 1.1487 1.1981 1.2829 1.2863 1.6921 1.6961 3.7443 3.8091 4.7328 4.8090 5.2509 5.2864 5.9562 5.9605 k =-0.2500 0.2486 0.0000 ( 7404 PWs) bands (ev): -15.4971 -15.4913 -15.4872 -15.4870 -15.4821 -15.4766 -15.4746 -15.4741 -12.9899 -12.9859 -12.9580 -12.9470 -12.9333 -12.9293 -12.9263 -12.9182 -12.9097 -12.9065 -12.9037 -12.8988 -9.9798 -9.9776 -9.0593 -9.0532 -5.4935 -5.4927 -4.5076 -4.5060 -1.4517 -1.3862 -0.6033 -0.5619 -0.2657 -0.1082 1.0369 1.1212 1.2142 1.2355 1.6910 1.6947 3.7056 3.7784 4.7921 4.8766 5.2930 5.3282 6.0387 6.0424 k =-0.2593 0.2578 0.0000 ( 7414 PWs) bands (ev): -15.4972 -15.4910 -15.4875 -15.4868 -15.4821 -15.4769 -15.4746 -15.4740 -12.9905 -12.9860 -12.9605 -12.9497 -12.9337 -12.9292 -12.9266 -12.9183 -12.9090 -12.9052 -12.9032 -12.8979 -9.9320 -9.9298 -9.0499 -9.0440 -5.4910 -5.4906 -4.5443 -4.5425 -1.4984 -1.4315 -0.5727 -0.5241 -0.3107 -0.1366 0.9004 0.9967 1.1781 1.1997 1.6754 1.6773 3.6740 3.7518 4.8685 4.9599 5.3345 5.3689 6.1280 6.1314 k =-0.2685 0.2670 0.0000 ( 7410 PWs) bands (ev): -15.4972 -15.4908 -15.4878 -15.4865 -15.4821 -15.4772 -15.4746 -15.4739 -12.9913 -12.9865 -12.9630 -12.9525 -12.9341 -12.9291 -12.9269 -12.9185 -12.9082 -12.9038 -12.9026 -12.8969 -9.8835 -9.8813 -9.0410 -9.0352 -5.4846 -5.4844 -4.5782 -4.5763 -1.5448 -1.4763 -0.5469 -0.4957 -0.3465 -0.1590 0.7540 0.8619 1.1452 1.1653 1.6405 1.6414 3.6561 3.7365 4.9554 5.0536 5.3743 5.4070 6.2225 6.2258 k =-0.2778 0.2762 0.0000 ( 7410 PWs) bands (ev): -15.4973 -15.4906 -15.4880 -15.4863 -15.4821 -15.4776 -15.4746 -15.4738 -12.9923 -12.9872 -12.9655 -12.9554 -12.9346 -12.9291 -12.9272 -12.9187 -12.9073 -12.9024 -12.9019 -12.8959 -9.8344 -9.8323 -9.0326 -9.0271 -5.4743 -5.4741 -4.6093 -4.6073 -1.5904 -1.5204 -0.5287 -0.4936 -0.3570 -0.1731 0.6029 0.7243 1.1114 1.1306 1.5833 1.5878 3.6553 3.7366 5.0472 5.1531 5.4122 5.4421 6.3202 6.3230 k =-0.2870 0.2854 0.0000 ( 7410 PWs) bands (ev): -15.4974 -15.4905 -15.4883 -15.4860 -15.4822 -15.4780 -15.4746 -15.4737 -12.9934 -12.9883 -12.9678 -12.9583 -12.9351 -12.9291 -12.9273 -12.9189 -12.9063 -12.9012 -12.9009 -12.8948 -9.7850 -9.7829 -9.0249 -9.0195 -5.4603 -5.4596 -4.6374 -4.6353 -1.6352 -1.5637 -0.5247 -0.5205 -0.3369 -0.1779 0.4508 0.5875 1.0764 1.0953 1.5070 1.5153 3.6723 3.7535 5.1391 5.2546 5.4494 5.4745 6.4180 6.4201 k =-0.2963 0.2946 0.0000 ( 7410 PWs) bands (ev): -15.4975 -15.4905 -15.4885 -15.4858 -15.4822 -15.4784 -15.4746 -15.4736 -12.9947 -12.9897 -12.9701 -12.9614 -12.9356 -12.9292 -12.9273 -12.9190 -12.9052 -12.9003 -12.8996 -12.8938 -9.7354 -9.7333 -9.0177 -9.0126 -5.4423 -5.4412 -4.6625 -4.6602 -1.6790 -1.6058 -0.5726 -0.5231 -0.3044 -0.1754 0.3018 0.4548 1.0399 1.0594 1.4145 1.4263 3.7059 3.7865 5.2256 5.3527 5.4888 5.5068 6.5121 6.5135 k =-0.3056 0.3038 0.0000 ( 7396 PWs) bands (ev): -15.4976 -15.4905 -15.4887 -15.4856 -15.4822 -15.4789 -15.4746 -15.4736 -12.9961 -12.9913 -12.9723 -12.9645 -12.9361 -12.9295 -12.9272 -12.9192 -12.9041 -12.8994 -12.8983 -12.8927 -9.6858 -9.6837 -9.0112 -9.0064 -5.4206 -5.4189 -4.6844 -4.6821 -1.7215 -1.6468 -0.6283 -0.5352 -0.2720 -0.1748 0.1647 0.3305 1.0015 1.0225 1.3101 1.3244 3.7536 3.8336 5.2999 5.4366 5.5350 5.5483 6.5971 6.5993 k =-0.3148 0.3130 0.0000 ( 7398 PWs) bands (ev): -15.4977 -15.4907 -15.4888 -15.4853 -15.4823 -15.4794 -15.4746 -15.4735 -12.9976 -12.9932 -12.9745 -12.9676 -12.9365 -12.9297 -12.9270 -12.9193 -12.9030 -12.8985 -12.8969 -12.8917 -9.6364 -9.6344 -9.0053 -9.0008 -5.3952 -5.3930 -4.7031 -4.7007 -1.7627 -1.6864 -0.6897 -0.5543 -0.2480 -0.2019 0.0638 0.2214 0.9587 0.9836 1.2000 1.2141 3.8131 3.8925 5.3562 5.4886 5.5926 5.6150 6.6662 6.6740 k =-0.3241 0.3222 0.0000 ( 7388 PWs) bands (ev): -15.4978 -15.4910 -15.4888 -15.4851 -15.4823 -15.4799 -15.4746 -15.4734 -12.9992 -12.9953 -12.9767 -12.9707 -12.9368 -12.9299 -12.9267 -12.9194 -12.9018 -12.8976 -12.8956 -12.8906 -9.5873 -9.5854 -9.0000 -8.9958 -5.3663 -5.3635 -4.7185 -4.7162 -1.8023 -1.7245 -0.7569 -0.5782 -0.2886 -0.2429 0.0291 0.1385 0.9056 0.9383 1.0936 1.1031 3.8816 3.9609 5.3939 5.5150 5.6612 5.6995 6.7142 6.7354 k =-0.3333 0.3314 0.0000 ( 7394 PWs) bands (ev): -15.4979 -15.4913 -15.4888 -15.4849 -15.4823 -15.4805 -15.4745 -15.4734 -13.0008 -12.9974 -12.9788 -12.9738 -12.9370 -12.9301 -12.9265 -12.9194 -12.9007 -12.8967 -12.8944 -12.8896 -9.5389 -9.5370 -8.9953 -8.9914 -5.3341 -5.3307 -4.7307 -4.7284 -1.8403 -1.7610 -0.8307 -0.6059 -0.4153 -0.2680 0.0400 0.0938 0.8301 0.8738 1.0066 1.0074 3.9571 4.0366 5.4177 5.5306 5.7354 5.7859 6.7428 6.7815 k =-0.3426 0.3407 0.0000 ( 7390 PWs) bands (ev): -15.4980 -15.4917 -15.4889 -15.4847 -15.4824 -15.4811 -15.4745 -15.4733 -13.0025 -12.9996 -12.9810 -12.9770 -12.9372 -12.9303 -12.9262 -12.9195 -12.8996 -12.8958 -12.8932 -12.8887 -9.4914 -9.4895 -8.9912 -8.9876 -5.2989 -5.2948 -4.7397 -4.7374 -1.8765 -1.7958 -0.9118 -0.6412 -0.5488 -0.3210 0.0673 0.0854 0.7280 0.7764 0.9439 0.9464 4.0377 4.1179 5.4325 5.5413 5.8097 5.8681 6.7584 6.8042 k =-0.3519 0.3499 0.0000 ( 7398 PWs) bands (ev): -15.4981 -15.4921 -15.4889 -15.4845 -15.4824 -15.4816 -15.4745 -15.4733 -13.0041 -13.0018 -12.9833 -12.9801 -12.9372 -12.9304 -12.9259 -12.9195 -12.8985 -12.8949 -12.8920 -12.8878 -9.4448 -9.4430 -8.9877 -8.9843 -5.2610 -5.2563 -4.7454 -4.7432 -1.9108 -1.8288 -1.0005 -0.7254 -0.6366 -0.3867 0.0963 0.0984 0.6133 0.6603 0.9017 0.9034 4.1218 4.2032 5.4415 5.5490 5.8809 5.9434 6.7661 6.8036 k =-0.3611 0.3591 0.0000 ( 7398 PWs) bands (ev): -15.4982 -15.4925 -15.4890 -15.4843 -15.4825 -15.4822 -15.4744 -15.4733 -13.0058 -13.0040 -12.9856 -12.9832 -12.9372 -12.9305 -12.9256 -12.9195 -12.8974 -12.8941 -12.8908 -12.8869 -9.3996 -9.3979 -8.9846 -8.9816 -5.2207 -5.2154 -4.7479 -4.7459 -1.9430 -1.8600 -1.0960 -0.8600 -0.6726 -0.4528 0.1087 0.1255 0.5021 0.5439 0.8681 0.8686 4.2081 4.2913 5.4467 5.5548 5.9471 6.0109 6.7689 6.7948 k =-0.3704 0.3683 0.0000 ( 7386 PWs) bands (ev): -15.4983 -15.4929 -15.4891 -15.4841 -15.4828 -15.4825 -15.4744 -15.4732 -13.0074 -13.0061 -12.9879 -12.9862 -12.9370 -12.9306 -12.9253 -12.9195 -12.8964 -12.8932 -12.8897 -12.8861 -9.3559 -9.3543 -8.9821 -8.9793 -5.1784 -5.1725 -4.7474 -4.7455 -1.9731 -1.8892 -1.1968 -0.9988 -0.7006 -0.5140 0.1026 0.1363 0.4132 0.4432 0.8384 0.8386 4.2955 4.3809 5.4492 5.5594 6.0076 6.0702 6.7683 6.7838 k =-0.3796 0.3775 0.0000 ( 7378 PWs) bands (ev): -15.4984 -15.4933 -15.4892 -15.4840 -15.4834 -15.4825 -15.4743 -15.4732 -13.0089 -13.0080 -12.9903 -12.9892 -12.9369 -12.9307 -12.9250 -12.9195 -12.8954 -12.8925 -12.8887 -12.8853 -9.3140 -9.3124 -8.9800 -8.9775 -5.1347 -5.1282 -4.7439 -4.7422 -2.0008 -1.9165 -1.3009 -1.1349 -0.7260 -0.5689 0.0553 0.1079 0.3688 0.3830 0.8113 0.8118 4.3830 4.4712 5.4498 5.5630 6.0623 6.1215 6.7655 6.7726 k =-0.3889 0.3867 0.0000 ( 7374 PWs) bands (ev): -15.4985 -15.4936 -15.4893 -15.4842 -15.4836 -15.4825 -15.4743 -15.4732 -13.0103 -13.0099 -12.9926 -12.9921 -12.9366 -12.9308 -12.9247 -12.9195 -12.8945 -12.8918 -12.8877 -12.8846 -9.2741 -9.2726 -8.9782 -8.9760 -5.0899 -5.0829 -4.7378 -4.7363 -2.0262 -1.9418 -1.4061 -1.2666 -0.7497 -0.6174 -0.0316 0.0309 0.3674 0.3733 0.7867 0.7873 4.4698 4.5611 5.4487 5.5660 6.1119 6.1654 6.7610 6.7623 k =-0.3981 0.3959 0.0000 ( 7366 PWs) bands (ev): -15.4985 -15.4940 -15.4895 -15.4848 -15.4835 -15.4826 -15.4742 -15.4732 -13.0116 -13.0115 -12.9950 -12.9949 -12.9364 -12.9309 -12.9243 -12.9196 -12.8936 -12.8911 -12.8868 -12.8840 -9.2364 -9.2350 -8.9768 -8.9749 -5.0447 -5.0373 -4.7292 -4.7279 -2.0490 -1.9652 -1.5104 -1.3926 -0.7715 -0.6601 -0.1360 -0.0710 0.3874 0.3913 0.7642 0.7649 4.5551 4.6500 5.4464 5.5682 6.1572 6.2031 6.7534 6.7550 k =-0.4074 0.4051 0.0000 ( 7364 PWs) bands (ev): -15.4985 -15.4944 -15.4896 -15.4853 -15.4834 -15.4826 -15.4741 -15.4732 -13.0130 -13.0127 -12.9976 -12.9973 -12.9361 -12.9310 -12.9240 -12.9196 -12.8927 -12.8905 -12.8860 -12.8834 -9.2011 -9.1998 -8.9757 -8.9741 -4.9997 -4.9920 -4.7186 -4.7175 -2.0692 -1.9866 -1.6118 -1.5122 -0.7915 -0.6978 -0.2439 -0.1792 0.4153 0.4189 0.7438 0.7444 4.6381 4.7369 5.4427 5.5694 6.1993 6.2357 6.7467 6.7474 k =-0.4167 0.4143 0.0000 ( 7356 PWs) bands (ev): -15.4985 -15.4947 -15.4898 -15.4859 -15.4833 -15.4825 -15.4740 -15.4732 -13.0143 -13.0137 -13.0002 -12.9995 -12.9357 -12.9311 -12.9237 -12.9197 -12.8919 -12.8899 -12.8852 -12.8829 -9.1685 -9.1673 -8.9749 -8.9735 -4.9555 -4.9476 -4.7062 -4.7054 -2.0866 -2.0061 -1.7086 -1.6244 -0.8096 -0.7311 -0.3492 -0.2860 0.4454 0.4490 0.7254 0.7259 4.7181 4.8212 5.4376 5.5694 6.2394 6.2644 6.7380 6.7425 k =-0.4259 0.4235 0.0000 ( 7364 PWs) bands (ev): -15.4985 -15.4951 -15.4899 -15.4865 -15.4832 -15.4825 -15.4740 -15.4732 -13.0154 -13.0146 -13.0026 -13.0016 -12.9354 -12.9312 -12.9233 -12.9197 -12.8912 -12.8894 -12.8844 -12.8824 -9.1387 -9.1377 -8.9742 -8.9731 -4.9129 -4.9050 -4.6926 -4.6920 -2.1012 -2.0240 -1.7995 -1.7285 -0.8257 -0.7604 -0.4484 -0.3879 0.4752 0.4788 0.7090 0.7092 4.7945 4.9021 5.4309 5.5674 6.2788 6.2907 6.7261 6.7411 k =-0.4352 0.4327 0.0000 ( 7372 PWs) bands (ev): -15.4984 -15.4954 -15.4900 -15.4870 -15.4831 -15.4825 -15.4739 -15.4732 -13.0163 -13.0152 -13.0049 -13.0037 -12.9350 -12.9313 -12.9230 -12.9198 -12.8906 -12.8890 -12.8838 -12.8820 -9.1120 -9.1111 -8.9738 -8.9728 -4.8726 -4.8649 -4.6783 -4.6779 -2.1130 -2.0402 -1.8829 -1.8236 -0.8397 -0.7861 -0.5395 -0.4829 0.5032 0.5067 0.6946 0.6946 4.8669 4.9790 5.4223 5.5629 6.3159 6.3188 6.7112 6.7430 k =-0.4444 0.4419 0.0000 ( 7382 PWs) bands (ev): -15.4983 -15.4957 -15.4901 -15.4875 -15.4830 -15.4825 -15.4738 -15.4732 -13.0170 -13.0157 -13.0071 -13.0056 -12.9347 -12.9315 -12.9226 -12.9199 -12.8900 -12.8886 -12.8832 -12.8817 -9.0884 -9.0877 -8.9734 -8.9727 -4.8354 -4.8281 -4.6640 -4.6638 -2.1218 -2.0553 -1.9575 -1.9088 -0.8517 -0.8087 -0.6207 -0.5693 0.5285 0.5320 0.6819 0.6822 4.9348 5.0510 5.4116 5.5551 6.3410 6.3601 6.6929 6.7483 k =-0.4537 0.4511 0.0000 ( 7370 PWs) bands (ev): -15.4982 -15.4960 -15.4902 -15.4880 -15.4829 -15.4825 -15.4737 -15.4732 -13.0174 -13.0159 -13.0090 -13.0074 -12.9343 -12.9316 -12.9223 -12.9200 -12.8895 -12.8883 -12.8827 -12.8814 -9.0683 -9.0677 -8.9732 -8.9726 -4.8020 -4.7954 -4.6503 -4.6502 -2.1279 -2.0700 -2.0215 -1.9832 -0.8615 -0.8283 -0.6906 -0.6460 0.5507 0.5540 0.6713 0.6719 4.9979 5.1173 5.3989 5.5433 6.3668 6.4033 6.6717 6.7570 k =-0.4630 0.4603 0.0000 ( 7368 PWs) bands (ev): -15.4981 -15.4963 -15.4902 -15.4884 -15.4828 -15.4825 -15.4737 -15.4733 -13.0176 -13.0160 -13.0108 -13.0091 -12.9340 -12.9318 -12.9220 -12.9202 -12.8890 -12.8881 -12.8822 -12.8812 -9.0516 -9.0512 -8.9730 -8.9726 -4.7733 -4.7677 -4.6379 -4.6379 -2.1315 -2.0903 -2.0677 -2.0457 -0.8691 -0.8454 -0.7477 -0.7117 0.5692 0.5723 0.6628 0.6636 5.0560 5.1766 5.3848 5.5271 6.3938 6.4480 6.6490 6.7685 k =-0.4722 0.4696 0.0000 ( 7366 PWs) bands (ev): -15.4979 -15.4966 -15.4902 -15.4888 -15.4827 -15.4825 -15.4736 -15.4733 -13.0176 -13.0159 -13.0124 -13.0106 -12.9337 -12.9320 -12.9217 -12.9203 -12.8886 -12.8880 -12.8818 -12.8811 -9.0385 -9.0382 -8.9728 -8.9726 -4.7499 -4.7454 -4.6275 -4.6274 -2.1342 -2.1253 -2.0941 -2.0865 -0.8747 -0.8600 -0.7911 -0.7652 0.5837 0.5864 0.6565 0.6575 5.1089 5.2256 5.3722 5.5061 6.4218 6.4918 6.6283 6.7794 k =-0.4815 0.4788 0.0000 ( 7362 PWs) bands (ev): -15.4978 -15.4968 -15.4901 -15.4892 -15.4827 -15.4825 -15.4735 -15.4733 -13.0173 -13.0156 -13.0137 -13.0119 -12.9334 -12.9323 -12.9214 -12.9205 -12.8883 -12.8879 -12.8815 -12.8810 -9.0291 -9.0289 -8.9727 -8.9727 -4.7324 -4.7293 -4.6196 -4.6195 -2.1542 -2.1453 -2.1188 -2.0977 -0.8786 -0.8718 -0.8204 -0.8052 0.5940 0.5961 0.6524 0.6533 5.1563 5.2552 5.3696 5.4805 6.4504 6.5240 6.6205 6.7754 k =-0.4907 0.4880 0.0000 ( 7360 PWs) bands (ev): -15.4976 -15.4971 -15.4899 -15.4895 -15.4826 -15.4825 -15.4735 -15.4734 -13.0169 -13.0156 -13.0143 -13.0130 -12.9331 -12.9325 -12.9212 -12.9207 -12.8881 -12.8879 -12.8813 -12.8811 -9.0234 -9.0234 -8.9727 -8.9727 -4.7214 -4.7198 -4.6146 -4.6146 -2.1709 -2.1647 -2.1195 -2.1069 -0.8811 -0.8796 -0.8364 -0.8304 0.6003 0.6015 0.6503 0.6509 5.1978 5.2548 5.3876 5.4508 6.4787 6.5253 6.6448 6.7395 k =-0.5000 0.4972 0.0000 ( 7352 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8821 -0.8821 -0.8402 -0.8402 0.6028 0.6028 0.6499 0.6499 5.2321 5.2321 5.4184 5.4184 6.5052 6.5052 6.6905 6.6905 k =-0.5000 0.4972 0.0000 ( 7352 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8821 -0.8821 -0.8402 -0.8402 0.6028 0.6028 0.6499 0.6499 5.2321 5.2321 5.4184 5.4184 6.5052 6.5052 6.6905 6.6905 k =-0.4972 0.5000-0.0000 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6028 0.6028 0.6498 0.6498 5.2314 5.2314 5.4185 5.4185 6.5047 6.5047 6.6902 6.6902 k =-0.4972 0.5000-0.0000 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6028 0.6028 0.6498 0.6498 5.2314 5.2314 5.4185 5.4185 6.5047 6.5047 6.6902 6.6902 k =-0.4972 0.5000 0.0123 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6028 0.6028 0.6498 0.6498 5.2313 5.2314 5.4184 5.4184 6.5047 6.5053 6.6891 6.6913 k =-0.4972 0.5000 0.0247 ( 7356 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6029 0.6029 0.6498 0.6498 5.2310 5.2312 5.4180 5.4181 6.5050 6.5062 6.6879 6.6923 k =-0.4972 0.5000 0.0370 ( 7357 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6029 0.6029 0.6498 0.6498 5.2305 5.2309 5.4174 5.4175 6.5058 6.5075 6.6869 6.6932 k =-0.4972 0.5000 0.0494 ( 7338 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6029 0.6029 0.6498 0.6498 5.2300 5.2304 5.4166 5.4167 6.5069 6.5090 6.6859 6.6938 k =-0.4972 0.5000 0.0617 ( 7324 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6030 0.6030 0.6499 0.6499 5.2293 5.2298 5.4157 5.4158 6.5084 6.5109 6.6851 6.6942 k =-0.4972 0.5000 0.0741 ( 7310 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6030 0.6030 0.6499 0.6499 5.2286 5.2291 5.4146 5.4148 6.5102 6.5128 6.6845 6.6944 k =-0.4972 0.5000 0.0864 ( 7328 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8400 -0.8400 0.6031 0.6031 0.6500 0.6500 5.2279 5.2284 5.4135 5.4137 6.5121 6.5149 6.6840 6.6942 k =-0.4972 0.5000 0.0987 ( 7326 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8400 0.6031 0.6031 0.6500 0.6500 5.2271 5.2276 5.4125 5.4126 6.5142 6.5169 6.6838 6.6937 k =-0.4972 0.5000 0.1111 ( 7318 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6032 0.6032 0.6501 0.6501 5.2265 5.2269 5.4114 5.4115 6.5163 6.5188 6.6838 6.6929 k =-0.4972 0.5000 0.1234 ( 7317 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6032 0.6032 0.6501 0.6501 5.2259 5.2263 5.4105 5.4106 6.5182 6.5204 6.6840 6.6919 k =-0.4972 0.5000 0.1358 ( 7324 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6032 0.6032 0.6501 0.6501 5.2254 5.2257 5.4097 5.4098 6.5200 6.5217 6.6844 6.6907 k =-0.4972 0.5000 0.1481 ( 7318 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6033 0.6033 0.6502 0.6502 5.2250 5.2253 5.4092 5.4092 6.5214 6.5226 6.6851 6.6895 k =-0.4972 0.5000 0.1605 ( 7316 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6033 0.6033 0.6502 0.6502 5.2249 5.2250 5.4088 5.4088 6.5224 6.5230 6.6860 6.6882 k =-0.4972 0.5000 0.1728 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6033 0.6033 0.6502 0.6502 5.2248 5.2248 5.4087 5.4087 6.5230 6.5230 6.6871 6.6871 k =-0.4972 0.5000 0.1728 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9728 -8.9728 -4.7173 -4.7173 -4.6133 -4.6133 -2.1741 -2.1741 -2.1137 -2.1137 -0.8816 -0.8816 -0.8401 -0.8401 0.6033 0.6033 0.6502 0.6502 5.2248 5.2248 5.4087 5.4087 6.5230 6.5230 6.6871 6.6871 k =-0.5000 0.4972 0.1728 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6032 0.6032 0.6504 0.6504 5.2255 5.2255 5.4086 5.4086 6.5236 6.5236 6.6873 6.6873 k =-0.5000 0.4972 0.1728 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6032 0.6032 0.6504 0.6504 5.2255 5.2255 5.4086 5.4086 6.5236 6.5236 6.6873 6.6873 k =-0.5000 0.4972 0.1605 ( 7316 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6032 0.6032 0.6504 0.6504 5.2255 5.2256 5.4087 5.4087 6.5230 6.5236 6.6863 6.6885 k =-0.5000 0.4972 0.1481 ( 7316 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6032 0.6032 0.6503 0.6504 5.2257 5.2259 5.4090 5.4091 6.5220 6.5232 6.6854 6.6898 k =-0.5000 0.4972 0.1358 ( 7320 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6032 0.6032 0.6503 0.6503 5.2260 5.2264 5.4096 5.4097 6.5206 6.5223 6.6847 6.6910 k =-0.5000 0.4972 0.1234 ( 7314 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6031 0.6031 0.6503 0.6503 5.2265 5.2269 5.4104 5.4104 6.5188 6.5210 6.6843 6.6922 k =-0.5000 0.4972 0.1111 ( 7318 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6031 0.6031 0.6502 0.6503 5.2271 5.2276 5.4113 5.4114 6.5168 6.5193 6.6841 6.6932 k =-0.5000 0.4972 0.0987 ( 7326 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6030 0.6031 0.6502 0.6502 5.2278 5.2283 5.4123 5.4124 6.5147 6.5174 6.6841 6.6940 k =-0.5000 0.4972 0.0864 ( 7324 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6030 0.6030 0.6501 0.6502 5.2285 5.2290 5.4134 5.4135 6.5126 6.5154 6.6843 6.6945 k =-0.5000 0.4972 0.0741 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6029 0.6030 0.6501 0.6501 5.2292 5.2298 5.4145 5.4146 6.5107 6.5134 6.6848 6.6947 k =-0.5000 0.4972 0.0617 ( 7324 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6029 0.6029 0.6501 0.6501 5.2300 5.2304 5.4155 5.4156 6.5089 6.5114 6.6854 6.6945 k =-0.5000 0.4972 0.0494 ( 7338 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6029 0.6029 0.6500 0.6500 5.2306 5.2310 5.4165 5.4166 6.5074 6.5095 6.6863 6.6941 k =-0.5000 0.4972 0.0370 ( 7362 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6028 0.6028 0.6500 0.6500 5.2312 5.2315 5.4173 5.4173 6.5062 6.5079 6.6872 6.6935 k =-0.5000 0.4972 0.0247 ( 7356 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8402 -0.8402 0.6028 0.6028 0.6499 0.6500 5.2316 5.2318 5.4179 5.4179 6.5055 6.5067 6.6883 6.6926 k =-0.5000 0.4972 0.0123 ( 7360 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8821 -0.8821 -0.8402 -0.8402 0.6028 0.6028 0.6499 0.6499 5.2319 5.2320 5.4182 5.4183 6.5051 6.5057 6.6894 6.6916 k =-0.5000 0.4972 0.0000 ( 7352 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8811 -12.8811 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8821 -0.8821 -0.8402 -0.8402 0.6028 0.6028 0.6499 0.6499 5.2321 5.2321 5.4184 5.4184 6.5052 6.5052 6.6905 6.6905 k = 0.0000 0.0000 0.1728 ( 7414 PWs) bands (ev): -15.4986 -15.4986 -15.4902 -15.4902 -15.4793 -15.4793 -15.4764 -15.4764 -13.0044 -13.0044 -12.9444 -12.9444 -12.9335 -12.9335 -12.9313 -12.9313 -12.9063 -12.9063 -12.8866 -12.8866 -10.6832 -10.6832 -9.2738 -9.2738 -4.8789 -4.8789 -3.3988 -3.3988 -1.1279 -1.1279 -0.4830 -0.4830 -0.1991 -0.1991 0.5003 0.5003 0.8536 0.8536 2.1227 2.1227 3.1255 3.1255 5.5319 5.5319 6.0324 6.0324 6.8900 6.8900 k =-0.0093 0.0092 0.1728 ( 7408 PWs) bands (ev): -15.4986 -15.4985 -15.4903 -15.4901 -15.4795 -15.4791 -15.4764 -15.4763 -13.0045 -13.0042 -12.9445 -12.9442 -12.9335 -12.9334 -12.9313 -12.9313 -12.9063 -12.9063 -12.8867 -12.8866 -10.6822 -10.6820 -9.2736 -9.2731 -4.8813 -4.8813 -3.4018 -3.4017 -1.1298 -1.1271 -0.4830 -0.4821 -0.1983 -0.1952 0.5007 0.5035 0.8552 0.8585 2.1213 2.1213 3.1264 3.1278 5.5300 5.5332 6.0259 6.0367 6.8677 6.9110 k =-0.0185 0.0184 0.1728 ( 7392 PWs) bands (ev): -15.4986 -15.4984 -15.4904 -15.4900 -15.4797 -15.4789 -15.4764 -15.4763 -13.0044 -13.0039 -12.9445 -12.9440 -12.9335 -12.9333 -12.9312 -12.9312 -12.9064 -12.9064 -12.8868 -12.8867 -10.6793 -10.6788 -9.2726 -9.2716 -4.8885 -4.8884 -3.4105 -3.4104 -1.1327 -1.1275 -0.4824 -0.4808 -0.1923 -0.1862 0.5040 0.5098 0.8639 0.8705 2.1172 2.1172 3.1304 3.1334 5.5277 5.5340 6.0171 6.0389 6.8449 6.9209 k =-0.0278 0.0276 0.1728 ( 7378 PWs) bands (ev): -15.4986 -15.4983 -15.4905 -15.4898 -15.4799 -15.4787 -15.4764 -15.4763 -13.0043 -13.0035 -12.9445 -12.9438 -12.9335 -12.9331 -12.9311 -12.9310 -12.9066 -12.9065 -12.8871 -12.8869 -10.6742 -10.6736 -9.2707 -9.2693 -4.9002 -4.9001 -3.4250 -3.4247 -1.1363 -1.1287 -0.4821 -0.4803 -0.1799 -0.1714 0.5086 0.5174 0.8808 0.8904 2.1103 2.1104 3.1376 3.1421 5.5246 5.5341 6.0053 6.0389 6.8214 6.8934 k =-0.0370 0.0368 0.1728 ( 7382 PWs) bands (ev): -15.4986 -15.4981 -15.4905 -15.4897 -15.4800 -15.4785 -15.4763 -15.4762 -13.0040 -13.0031 -12.9444 -12.9435 -12.9334 -12.9329 -12.9308 -12.9308 -12.9068 -12.9067 -12.8875 -12.8872 -10.6672 -10.6664 -9.2680 -9.2662 -4.9162 -4.9162 -3.4449 -3.4446 -1.1403 -1.1304 -0.4837 -0.4822 -0.1596 -0.1493 0.5123 0.5242 0.9074 0.9196 2.1008 2.1010 3.1480 3.1540 5.5205 5.5331 5.9898 6.0361 6.7968 6.8518 k =-0.0463 0.0460 0.1728 ( 7390 PWs) bands (ev): -15.4986 -15.4980 -15.4905 -15.4895 -15.4802 -15.4782 -15.4763 -15.4762 -13.0037 -13.0025 -12.9443 -12.9431 -12.9332 -12.9327 -12.9305 -12.9305 -12.9071 -12.9070 -12.8880 -12.8875 -10.6581 -10.6571 -9.2644 -9.2622 -4.9362 -4.9362 -3.4700 -3.4696 -1.1442 -1.1320 -0.4884 -0.4880 -0.1301 -0.1188 0.5128 0.5281 0.9446 0.9593 2.0886 2.0889 3.1616 3.1690 5.5149 5.5304 5.9698 6.0296 6.7702 6.8070 k =-0.0556 0.0552 0.1728 ( 7402 PWs) bands (ev): -15.4986 -15.4978 -15.4905 -15.4893 -15.4803 -15.4780 -15.4763 -15.4761 -13.0032 -13.0018 -12.9441 -12.9428 -12.9331 -12.9324 -12.9302 -12.9302 -12.9074 -12.9073 -12.8885 -12.8880 -10.6469 -10.6457 -9.2601 -9.2574 -4.9599 -4.9599 -3.5001 -3.4996 -1.1474 -1.1332 -0.4985 -0.4973 -0.0909 -0.0792 0.5088 0.5277 0.9928 1.0095 2.0738 2.0742 3.1783 3.1872 5.5070 5.5251 5.9447 6.0184 6.7403 6.7627 k =-0.0648 0.0644 0.1728 ( 7402 PWs) bands (ev): -15.4985 -15.4976 -15.4905 -15.4891 -15.4805 -15.4777 -15.4762 -15.4760 -13.0026 -13.0011 -12.9438 -12.9424 -12.9328 -12.9321 -12.9298 -12.9297 -12.9078 -12.9077 -12.8892 -12.8885 -10.6337 -10.6324 -9.2550 -9.2519 -4.9868 -4.9867 -3.5346 -3.5341 -1.1496 -1.1335 -0.5138 -0.5106 -0.0419 -0.0304 0.4998 0.5223 1.0511 1.0695 2.0565 2.0572 3.1980 3.2084 5.4958 5.5158 5.9141 6.0009 6.7044 6.7217 k =-0.0741 0.0737 0.1728 ( 7406 PWs) bands (ev): -15.4984 -15.4974 -15.4904 -15.4889 -15.4806 -15.4775 -15.4762 -15.4760 -13.0019 -13.0003 -12.9435 -12.9420 -12.9326 -12.9318 -12.9294 -12.9292 -12.9082 -12.9082 -12.8899 -12.8892 -10.6185 -10.6170 -9.2491 -9.2456 -5.0164 -5.0162 -3.5733 -3.5727 -1.1502 -1.1323 -0.5338 -0.5283 0.0161 0.0270 0.4859 0.5121 1.1179 1.1379 2.0369 2.0378 3.2207 3.2326 5.4801 5.5006 5.8787 5.9757 6.6596 6.6862 k =-0.0833 0.0829 0.1728 ( 7410 PWs) bands (ev): -15.4984 -15.4971 -15.4904 -15.4886 -15.4807 -15.4772 -15.4761 -15.4759 -13.0012 -12.9994 -12.9432 -12.9416 -12.9324 -12.9314 -12.9289 -12.9286 -12.9087 -12.9086 -12.8907 -12.8899 -10.6013 -10.5996 -9.2425 -9.2386 -5.0481 -5.0479 -3.6155 -3.6149 -1.1491 -1.1294 -0.5577 -0.5501 0.0823 0.0924 0.4675 0.4974 1.1914 1.2127 2.0149 2.0162 3.2463 3.2596 5.4580 5.4768 5.8404 5.9418 6.6063 6.6577 k =-0.0926 0.0921 0.1728 ( 7420 PWs) bands (ev): -15.4983 -15.4969 -15.4903 -15.4884 -15.4808 -15.4770 -15.4761 -15.4758 -13.0003 -12.9985 -12.9427 -12.9411 -12.9321 -12.9310 -12.9284 -12.9280 -12.9094 -12.9091 -12.8916 -12.8906 -10.5820 -10.5802 -9.2352 -9.2310 -5.0816 -5.0813 -3.6609 -3.6603 -1.1462 -1.1245 -0.5849 -0.5753 0.1556 0.1646 0.4452 0.4787 1.2694 1.2919 1.9909 1.9927 3.2745 3.2894 5.4274 5.4416 5.8021 5.8996 6.5489 6.6367 k =-0.1019 0.1013 0.1728 ( 7422 PWs) bands (ev): -15.4982 -15.4966 -15.4902 -15.4882 -15.4809 -15.4767 -15.4760 -15.4757 -12.9994 -12.9976 -12.9423 -12.9407 -12.9319 -12.9306 -12.9279 -12.9273 -12.9101 -12.9096 -12.8926 -12.8915 -10.5607 -10.5588 -9.2272 -9.2227 -5.1163 -5.1159 -3.7090 -3.7084 -1.1413 -1.1177 -0.6149 -0.6035 0.2351 0.2423 0.4198 0.4565 1.3496 1.3733 1.9651 1.9674 3.3053 3.3216 5.3866 5.3936 5.7664 5.8508 6.4903 6.6217 k =-0.1111 0.1105 0.1728 ( 7422 PWs) bands (ev): -15.4981 -15.4963 -15.4901 -15.4880 -15.4810 -15.4765 -15.4759 -15.4756 -12.9984 -12.9966 -12.9418 -12.9404 -12.9317 -12.9302 -12.9273 -12.9266 -12.9109 -12.9101 -12.8936 -12.8924 -10.5375 -10.5355 -9.2187 -9.2138 -5.1517 -5.1511 -3.7592 -3.7586 -1.1348 -1.1089 -0.6468 -0.6339 0.3196 0.3217 0.3948 0.4312 1.4298 1.4545 1.9376 1.9408 3.3383 3.3560 5.3334 5.3345 5.7335 5.7978 6.4310 6.6066 k =-0.1204 0.1197 0.1728 ( 7414 PWs) bands (ev): -15.4979 -15.4960 -15.4899 -15.4877 -15.4811 -15.4763 -15.4759 -15.4755 -12.9974 -12.9957 -12.9412 -12.9400 -12.9316 -12.9298 -12.9267 -12.9259 -12.9118 -12.9105 -12.8946 -12.8933 -10.5123 -10.5102 -9.2096 -9.2044 -5.1873 -5.1866 -3.8111 -3.8106 -1.1270 -1.0986 -0.6797 -0.6659 0.3481 0.4015 0.4100 0.4239 1.5072 1.5328 1.9090 1.9133 3.3733 3.3924 5.2645 5.2723 5.7015 5.7415 6.3714 6.5593 k =-0.1296 0.1289 0.1728 ( 7410 PWs) bands (ev): -15.4978 -15.4957 -15.4898 -15.4875 -15.4812 -15.4761 -15.4758 -15.4754 -12.9964 -12.9948 -12.9407 -12.9398 -12.9315 -12.9293 -12.9261 -12.9252 -12.9127 -12.9109 -12.8957 -12.8943 -10.4852 -10.4830 -9.1999 -9.1945 -5.2226 -5.2217 -3.8643 -3.8639 -1.1186 -1.0872 -0.7127 -0.6985 0.3175 0.3725 0.5004 0.5105 1.5787 1.6052 1.8799 1.8855 3.4101 3.4304 5.1913 5.2032 5.6661 5.6811 6.3132 6.4684 k =-0.1389 0.1381 0.1728 ( 7416 PWs) bands (ev): -15.4977 -15.4953 -15.4896 -15.4873 -15.4813 -15.4758 -15.4757 -15.4753 -12.9953 -12.9939 -12.9401 -12.9397 -12.9315 -12.9288 -12.9255 -12.9245 -12.9136 -12.9112 -12.8968 -12.8952 -10.4562 -10.4539 -9.1898 -9.1842 -5.2572 -5.2562 -3.9183 -3.9179 -1.1109 -1.0757 -0.7442 -0.7303 0.2813 0.3399 0.5941 0.6025 1.6408 1.6678 1.8514 1.8588 3.4486 3.4698 5.1188 5.1319 5.6140 5.6225 6.2595 6.3731 k =-0.1481 0.1473 0.1728 ( 7422 PWs) bands (ev): -15.4976 -15.4950 -15.4895 -15.4871 -15.4814 -15.4757 -15.4756 -15.4752 -12.9942 -12.9930 -12.9397 -12.9396 -12.9317 -12.9283 -12.9248 -12.9240 -12.9145 -12.9114 -12.8979 -12.8962 -10.4253 -10.4230 -9.1794 -9.1735 -5.2907 -5.2896 -3.9726 -3.9724 -1.1057 -1.0659 -0.7722 -0.7595 0.2424 0.3055 0.6887 0.6959 1.6881 1.7145 1.8266 1.8355 3.4886 3.5104 5.0511 5.0632 5.5382 5.5664 6.2132 6.2884 k =-0.1574 0.1565 0.1728 ( 7422 PWs) bands (ev): -15.4975 -15.4946 -15.4893 -15.4869 -15.4815 -15.4756 -15.4755 -15.4752 -12.9931 -12.9922 -12.9400 -12.9390 -12.9318 -12.9279 -12.9241 -12.9237 -12.9151 -12.9115 -12.8990 -12.8972 -10.3926 -10.3903 -9.1686 -9.1625 -5.3226 -5.3215 -4.0270 -4.0269 -1.1054 -1.0604 -0.7942 -0.7833 0.2015 0.2696 0.7828 0.7888 1.7135 1.7343 1.8141 1.8202 3.5304 3.5520 4.9912 5.0010 5.4537 5.4960 6.1765 6.2205 k =-0.1667 0.1657 0.1728 ( 7426 PWs) bands (ev): -15.4974 -15.4943 -15.4891 -15.4868 -15.4816 -15.4756 -15.4753 -15.4751 -12.9920 -12.9914 -12.9406 -12.9386 -12.9320 -12.9274 -12.9238 -12.9234 -12.9154 -12.9114 -12.9000 -12.8982 -10.3581 -10.3558 -9.1575 -9.1513 -5.3528 -5.3515 -4.0810 -4.0810 -1.1126 -1.0625 -0.8073 -0.7980 0.1589 0.2324 0.8747 0.8795 1.7140 1.7235 1.8138 1.8148 3.5738 3.5942 4.9408 4.9475 5.3640 5.4142 6.1497 6.1714 k =-0.1759 0.1749 0.1728 ( 7420 PWs) bands (ev): -15.4973 -15.4939 -15.4889 -15.4867 -15.4817 -15.4756 -15.4751 -15.4750 -12.9909 -12.9908 -12.9415 -12.9382 -12.9321 -12.9270 -12.9244 -12.9226 -12.9152 -12.9113 -12.9010 -12.8991 -10.3219 -10.3196 -9.1463 -9.1400 -5.3807 -5.3793 -4.1345 -4.1343 -1.1291 -1.0750 -0.8098 -0.8010 0.1148 0.1941 0.9624 0.9660 1.6995 1.6998 1.8048 1.8095 3.6190 3.6366 4.8990 4.9019 5.2760 5.3290 6.1321 6.1392 k =-0.1852 0.1841 0.1728 ( 7420 PWs) bands (ev): -15.4972 -15.4936 -15.4887 -15.4866 -15.4818 -15.4756 -15.4750 -15.4749 -12.9902 -12.9899 -12.9428 -12.9380 -12.9323 -12.9266 -12.9254 -12.9218 -12.9147 -12.9111 -12.9019 -12.8998 -10.2841 -10.2817 -9.1350 -9.1286 -5.4061 -5.4047 -4.1871 -4.1867 -1.1548 -1.0980 -0.8019 -0.7919 0.0695 0.1551 1.0433 1.0455 1.6737 1.6812 1.7821 1.7876 3.6649 3.6776 4.8597 4.8622 5.2004 5.2526 6.1206 6.1222 k =-0.1944 0.1933 0.1728 ( 7408 PWs) bands (ev): -15.4972 -15.4932 -15.4885 -15.4866 -15.4819 -15.4756 -15.4749 -15.4748 -12.9898 -12.9890 -12.9443 -12.9380 -12.9323 -12.9265 -12.9262 -12.9210 -12.9139 -12.9109 -12.9027 -12.9004 -10.2447 -10.2423 -9.1236 -9.1172 -5.4287 -5.4273 -4.2384 -4.2378 -1.1878 -1.1294 -0.7851 -0.7728 0.0231 0.1156 1.1140 1.1146 1.6470 1.6651 1.7414 1.7491 3.7094 3.7146 4.8143 4.8252 5.1500 5.1984 6.1123 6.1188 k =-0.2037 0.2026 0.1728 ( 7410 PWs) bands (ev): -15.4971 -15.4929 -15.4882 -15.4866 -15.4819 -15.4757 -15.4748 -15.4747 -12.9894 -12.9881 -12.9462 -12.9384 -12.9324 -12.9276 -12.9260 -12.9203 -12.9128 -12.9107 -12.9033 -12.9008 -10.2037 -10.2014 -9.1123 -9.1059 -5.4483 -5.4469 -4.2882 -4.2875 -1.2263 -1.1667 -0.7618 -0.7462 -0.0241 0.0760 1.1694 1.1700 1.6132 1.6502 1.6870 1.7042 3.7432 3.7489 4.7646 4.7874 5.1317 5.1751 6.1119 6.1212 k =-0.2130 0.2118 0.1728 ( 7406 PWs) bands (ev): -15.4971 -15.4925 -15.4880 -15.4866 -15.4820 -15.4758 -15.4748 -15.4746 -12.9892 -12.9873 -12.9483 -12.9393 -12.9325 -12.9284 -12.9258 -12.9196 -12.9117 -12.9106 -12.9038 -12.9009 -10.1614 -10.1590 -9.1012 -9.0947 -5.4646 -5.4632 -4.3363 -4.3354 -1.2683 -1.2077 -0.7337 -0.7143 -0.0721 0.0366 1.2060 1.2070 1.5524 1.5934 1.6655 1.6777 3.7580 3.7776 4.7203 4.7570 5.1424 5.1817 6.1181 6.1288 k =-0.2222 0.2210 0.1728 ( 7404 PWs) bands (ev): -15.4971 -15.4922 -15.4878 -15.4867 -15.4820 -15.4759 -15.4747 -15.4744 -12.9891 -12.9867 -12.9506 -12.9406 -12.9326 -12.9290 -12.9258 -12.9190 -12.9105 -12.9105 -12.9040 -12.9007 -10.1177 -10.1154 -9.0902 -9.0838 -5.4774 -5.4761 -4.3825 -4.3814 -1.3126 -1.2509 -0.7024 -0.6787 -0.1206 -0.0021 1.2211 1.2230 1.4635 1.5011 1.6723 1.6746 3.7550 3.7902 4.6949 4.7459 5.1740 5.2107 6.1301 6.1417 k =-0.2315 0.2302 0.1728 ( 7400 PWs) bands (ev): -15.4971 -15.4919 -15.4875 -15.4868 -15.4821 -15.4761 -15.4747 -15.4743 -12.9892 -12.9862 -12.9530 -12.9424 -12.9327 -12.9293 -12.9259 -12.9185 -12.9104 -12.9092 -12.9041 -12.9002 -10.0728 -10.0705 -9.0796 -9.0732 -5.4866 -5.4855 -4.4265 -4.4253 -1.3584 -1.2955 -0.6691 -0.6404 -0.1693 -0.0396 1.2077 1.2212 1.3642 1.3953 1.6823 1.6846 3.7344 3.7843 4.6974 4.7617 5.2189 5.2544 6.1483 6.1603 k =-0.2407 0.2394 0.1728 ( 7408 PWs) bands (ev): -15.4971 -15.4916 -15.4873 -15.4870 -15.4821 -15.4763 -15.4747 -15.4742 -12.9895 -12.9859 -12.9555 -12.9446 -12.9330 -12.9294 -12.9261 -12.9183 -12.9101 -12.9079 -12.9040 -12.8996 -10.0268 -10.0245 -9.0692 -9.0630 -5.4920 -5.4911 -4.4683 -4.4668 -1.4049 -1.3407 -0.6353 -0.6006 -0.2179 -0.0752 1.1488 1.1983 1.2830 1.2864 1.6900 1.6940 3.7020 3.7637 4.7293 4.8042 5.2714 5.3063 6.1730 6.1855 k =-0.2500 0.2486 0.1728 ( 7400 PWs) bands (ev): -15.4971 -15.4913 -15.4872 -15.4870 -15.4821 -15.4766 -15.4746 -15.4741 -12.9899 -12.9859 -12.9580 -12.9470 -12.9333 -12.9293 -12.9263 -12.9182 -12.9097 -12.9065 -12.9037 -12.8988 -9.9798 -9.9776 -9.0593 -9.0532 -5.4935 -5.4928 -4.5076 -4.5059 -1.4517 -1.3862 -0.6022 -0.5606 -0.2656 -0.1079 1.0369 1.1213 1.2144 1.2357 1.6893 1.6930 3.6670 3.7369 4.7855 4.8689 5.3268 5.3613 6.2053 6.2183 k =-0.2593 0.2578 0.1728 ( 7388 PWs) bands (ev): -15.4972 -15.4910 -15.4875 -15.4868 -15.4821 -15.4769 -15.4746 -15.4740 -12.9905 -12.9860 -12.9605 -12.9497 -12.9337 -12.9292 -12.9266 -12.9183 -12.9090 -12.9052 -12.9032 -12.8979 -9.9320 -9.9298 -9.0499 -9.0440 -5.4911 -5.4906 -4.5442 -4.5425 -1.4984 -1.4314 -0.5717 -0.5230 -0.3105 -0.1363 0.9004 0.9968 1.1783 1.1999 1.6741 1.6761 3.6383 3.7134 4.8592 4.9497 5.3814 5.4153 6.2459 6.2595 k =-0.2685 0.2670 0.1728 ( 7386 PWs) bands (ev): -15.4972 -15.4908 -15.4878 -15.4865 -15.4821 -15.4772 -15.4746 -15.4739 -12.9913 -12.9865 -12.9630 -12.9525 -12.9341 -12.9291 -12.9269 -12.9185 -12.9082 -12.9038 -12.9026 -12.8969 -9.8835 -9.8813 -9.0410 -9.0352 -5.4846 -5.4845 -4.5782 -4.5763 -1.5447 -1.4763 -0.5460 -0.4948 -0.3460 -0.1585 0.7540 0.8619 1.1454 1.1656 1.6397 1.6405 3.6225 3.7003 4.9439 5.0413 5.4328 5.4652 6.2954 6.3096 k =-0.2778 0.2762 0.1728 ( 7388 PWs) bands (ev): -15.4973 -15.4906 -15.4880 -15.4863 -15.4821 -15.4776 -15.4746 -15.4738 -12.9923 -12.9872 -12.9655 -12.9554 -12.9346 -12.9291 -12.9272 -12.9187 -12.9073 -12.9024 -12.9019 -12.8959 -9.8344 -9.8323 -9.0326 -9.0271 -5.4744 -5.4742 -4.6093 -4.6072 -1.5904 -1.5204 -0.5280 -0.4933 -0.3561 -0.1725 0.6030 0.7244 1.1116 1.1309 1.5828 1.5872 3.6233 3.7021 5.0342 5.1389 5.4796 5.5095 6.3533 6.3683 k =-0.2870 0.2854 0.1728 ( 7388 PWs) bands (ev): -15.4974 -15.4905 -15.4883 -15.4860 -15.4822 -15.4780 -15.4746 -15.4737 -12.9934 -12.9883 -12.9678 -12.9583 -12.9351 -12.9291 -12.9273 -12.9189 -12.9063 -12.9012 -12.9009 -12.8948 -9.7850 -9.7829 -9.0249 -9.0195 -5.4603 -5.4597 -4.6374 -4.6352 -1.6352 -1.5636 -0.5247 -0.5200 -0.3357 -0.1772 0.4509 0.5876 1.0766 1.0955 1.5067 1.5150 3.6414 3.7203 5.1252 5.2383 5.5223 5.5482 6.4181 6.4340 k =-0.2963 0.2946 0.1728 ( 7388 PWs) bands (ev): -15.4975 -15.4905 -15.4885 -15.4858 -15.4822 -15.4784 -15.4746 -15.4737 -12.9947 -12.9897 -12.9701 -12.9614 -12.9356 -12.9293 -12.9273 -12.9190 -12.9052 -12.9003 -12.8996 -12.8938 -9.7354 -9.7333 -9.0177 -9.0126 -5.4424 -5.4412 -4.6624 -4.6602 -1.6790 -1.6058 -0.5726 -0.5228 -0.3032 -0.1746 0.3019 0.4549 1.0402 1.0596 1.4143 1.4261 3.6759 3.7542 5.2120 5.3346 5.5632 5.5839 6.4872 6.5040 k =-0.3056 0.3038 0.1728 ( 7376 PWs) bands (ev): -15.4976 -15.4905 -15.4887 -15.4856 -15.4822 -15.4789 -15.4746 -15.4736 -12.9961 -12.9913 -12.9723 -12.9645 -12.9361 -12.9295 -12.9272 -12.9192 -12.9041 -12.8994 -12.8983 -12.8927 -9.6858 -9.6837 -9.0112 -9.0064 -5.4206 -5.4190 -4.6843 -4.6820 -1.7215 -1.6468 -0.6283 -0.5350 -0.2709 -0.1740 0.1650 0.3307 1.0017 1.0228 1.3101 1.3243 3.7245 3.8020 5.2892 5.4205 5.6062 5.6224 6.5574 6.5744 k =-0.3148 0.3130 0.1728 ( 7372 PWs) bands (ev): -15.4977 -15.4907 -15.4888 -15.4853 -15.4822 -15.4794 -15.4746 -15.4735 -12.9976 -12.9932 -12.9745 -12.9676 -12.9365 -12.9297 -12.9270 -12.9193 -12.9030 -12.8985 -12.8969 -12.8917 -9.6364 -9.6343 -9.0053 -9.0008 -5.3952 -5.3930 -4.7030 -4.7007 -1.7627 -1.6863 -0.6898 -0.5542 -0.2470 -0.2015 0.0644 0.2216 0.9590 0.9839 1.1999 1.2141 3.7846 3.8616 5.3514 5.4856 5.6558 5.6735 6.6253 6.6399 k =-0.3241 0.3222 0.1728 ( 7368 PWs) bands (ev): -15.4978 -15.4910 -15.4888 -15.4851 -15.4823 -15.4799 -15.4746 -15.4735 -12.9992 -12.9953 -12.9767 -12.9707 -12.9368 -12.9299 -12.9267 -12.9194 -12.9018 -12.8976 -12.8956 -12.8906 -9.5873 -9.5854 -9.0000 -8.9958 -5.3663 -5.3635 -4.7185 -4.7162 -1.8023 -1.7244 -0.7570 -0.5782 -0.2885 -0.2422 0.0299 0.1389 0.9059 0.9387 1.0936 1.1031 3.8538 3.9306 5.3960 5.5251 5.7142 5.7412 6.6883 6.6945 k =-0.3333 0.3314 0.1728 ( 7364 PWs) bands (ev): -15.4979 -15.4913 -15.4888 -15.4849 -15.4823 -15.4805 -15.4745 -15.4734 -13.0008 -12.9974 -12.9788 -12.9738 -12.9370 -12.9301 -12.9265 -12.9194 -12.9007 -12.8967 -12.8944 -12.8896 -9.5389 -9.5370 -8.9953 -8.9914 -5.3341 -5.3307 -4.7307 -4.7284 -1.8403 -1.7610 -0.8308 -0.6059 -0.4152 -0.2676 0.0410 0.0945 0.8303 0.8741 1.0066 1.0075 3.9300 4.0070 5.4248 5.5460 5.7794 5.8181 6.7336 6.7447 k =-0.3426 0.3407 0.1728 ( 7346 PWs) bands (ev): -15.4980 -15.4917 -15.4889 -15.4847 -15.4824 -15.4810 -15.4745 -15.4733 -13.0025 -12.9996 -12.9810 -12.9770 -12.9372 -12.9303 -12.9262 -12.9195 -12.8996 -12.8958 -12.8932 -12.8887 -9.4914 -9.4895 -8.9912 -8.9876 -5.2989 -5.2949 -4.7396 -4.7374 -1.8765 -1.7958 -0.9119 -0.6412 -0.5488 -0.3208 0.0683 0.0862 0.7282 0.7765 0.9441 0.9465 4.0113 4.0890 5.4418 5.5569 5.8470 5.8952 6.7575 6.7943 k =-0.3519 0.3499 0.1728 ( 7366 PWs) bands (ev): -15.4981 -15.4921 -15.4889 -15.4845 -15.4824 -15.4816 -15.4745 -15.4733 -13.0041 -13.0018 -12.9833 -12.9801 -12.9372 -12.9304 -12.9259 -12.9195 -12.8985 -12.8949 -12.8920 -12.8878 -9.4448 -9.4430 -8.9877 -8.9843 -5.2610 -5.2563 -4.7454 -4.7432 -1.9108 -1.8288 -1.0005 -0.7254 -0.6366 -0.3866 0.0971 0.0993 0.6135 0.6604 0.9020 0.9036 4.0963 4.1750 5.4510 5.5625 5.9131 5.9676 6.7700 6.8332 k =-0.3611 0.3591 0.1728 ( 7364 PWs) bands (ev): -15.4982 -15.4925 -15.4890 -15.4843 -15.4825 -15.4822 -15.4744 -15.4733 -13.0058 -13.0040 -12.9856 -12.9832 -12.9372 -12.9305 -12.9256 -12.9195 -12.8974 -12.8941 -12.8908 -12.8869 -9.3996 -9.3979 -8.9846 -8.9816 -5.2207 -5.2154 -4.7479 -4.7459 -1.9430 -1.8599 -1.0960 -0.8599 -0.6726 -0.4527 0.1094 0.1263 0.5023 0.5440 0.8684 0.8689 4.1835 4.2639 5.4550 5.5652 5.9753 6.0331 6.7748 6.8270 k =-0.3704 0.3683 0.1728 ( 7356 PWs) bands (ev): -15.4983 -15.4929 -15.4891 -15.4841 -15.4828 -15.4825 -15.4744 -15.4732 -13.0074 -13.0061 -12.9879 -12.9862 -12.9370 -12.9306 -12.9253 -12.9195 -12.8964 -12.8932 -12.8897 -12.8861 -9.3559 -9.3542 -8.9821 -8.9793 -5.1785 -5.1725 -4.7474 -4.7455 -1.9731 -1.8892 -1.1968 -0.9988 -0.7006 -0.5140 0.1031 0.1370 0.4135 0.4435 0.8388 0.8389 4.2720 4.3545 5.4558 5.5663 6.0323 6.0906 6.7748 6.8129 k =-0.3796 0.3775 0.1728 ( 7356 PWs) bands (ev): -15.4984 -15.4933 -15.4892 -15.4840 -15.4834 -15.4825 -15.4743 -15.4732 -13.0089 -13.0080 -12.9903 -12.9892 -12.9369 -12.9307 -12.9250 -12.9195 -12.8954 -12.8925 -12.8887 -12.8854 -9.3140 -9.3124 -8.9800 -8.9775 -5.1347 -5.1282 -4.7439 -4.7422 -2.0008 -1.9165 -1.3009 -1.1349 -0.7261 -0.5689 0.0556 0.1082 0.3693 0.3835 0.8117 0.8122 4.3607 4.4459 5.4543 5.5665 6.0838 6.1403 6.7717 6.7990 k =-0.3889 0.3867 0.1728 ( 7356 PWs) bands (ev): -15.4985 -15.4936 -15.4893 -15.4842 -15.4837 -15.4825 -15.4743 -15.4732 -13.0103 -13.0099 -12.9926 -12.9921 -12.9366 -12.9308 -12.9247 -12.9195 -12.8945 -12.8918 -12.8877 -12.8846 -9.2741 -9.2726 -8.9782 -8.9760 -5.0900 -5.0829 -4.7378 -4.7363 -2.0262 -1.9418 -1.4061 -1.2666 -0.7497 -0.6174 -0.0314 0.0310 0.3681 0.3740 0.7870 0.7877 4.4489 4.5371 5.4513 5.5661 6.1303 6.1828 6.7666 6.7863 k =-0.3981 0.3959 0.1728 ( 7360 PWs) bands (ev): -15.4985 -15.4940 -15.4895 -15.4848 -15.4835 -15.4826 -15.4742 -15.4732 -13.0116 -13.0115 -12.9950 -12.9949 -12.9364 -12.9309 -12.9243 -12.9196 -12.8936 -12.8911 -12.8868 -12.8840 -9.2364 -9.2350 -8.9768 -8.9749 -5.0448 -5.0373 -4.7292 -4.7279 -2.0490 -1.9651 -1.5104 -1.3926 -0.7715 -0.6602 -0.1359 -0.0710 0.3881 0.3920 0.7646 0.7653 4.5356 4.6273 5.4470 5.5654 6.1725 6.2191 6.7601 6.7753 k =-0.4074 0.4051 0.1728 ( 7358 PWs) bands (ev): -15.4985 -15.4944 -15.4896 -15.4853 -15.4834 -15.4826 -15.4741 -15.4732 -13.0130 -13.0127 -12.9976 -12.9973 -12.9361 -12.9310 -12.9240 -12.9196 -12.8927 -12.8905 -12.8860 -12.8834 -9.2011 -9.1998 -8.9757 -8.9741 -4.9997 -4.9920 -4.7186 -4.7175 -2.0692 -1.9865 -1.6118 -1.5122 -0.7915 -0.6979 -0.2439 -0.1792 0.4160 0.4196 0.7442 0.7448 4.6201 4.7158 5.4416 5.5640 6.2117 6.2505 6.7523 6.7666 k =-0.4167 0.4143 0.1728 ( 7350 PWs) bands (ev): -15.4985 -15.4947 -15.4898 -15.4859 -15.4833 -15.4825 -15.4740 -15.4732 -13.0143 -13.0137 -13.0002 -12.9995 -12.9357 -12.9311 -12.9237 -12.9197 -12.8920 -12.8899 -12.8852 -12.8829 -9.1685 -9.1673 -8.9749 -8.9735 -4.9555 -4.9476 -4.7062 -4.7054 -2.0866 -2.0061 -1.7086 -1.6244 -0.8096 -0.7311 -0.3492 -0.2860 0.4460 0.4497 0.7258 0.7263 4.7018 4.8017 5.4351 5.5618 6.2489 6.2784 6.7433 6.7605 k =-0.4259 0.4235 0.1728 ( 7346 PWs) bands (ev): -15.4985 -15.4951 -15.4899 -15.4865 -15.4832 -15.4825 -15.4740 -15.4732 -13.0154 -13.0146 -13.0026 -13.0016 -12.9354 -12.9312 -12.9233 -12.9197 -12.8912 -12.8894 -12.8844 -12.8824 -9.1387 -9.1377 -8.9742 -8.9731 -4.9129 -4.9050 -4.6926 -4.6920 -2.1012 -2.0239 -1.7995 -1.7285 -0.8257 -0.7604 -0.4485 -0.3879 0.4758 0.4794 0.7094 0.7097 4.7799 4.8843 5.4272 5.5582 6.2856 6.3040 6.7323 6.7575 k =-0.4352 0.4327 0.1728 ( 7334 PWs) bands (ev): -15.4984 -15.4954 -15.4900 -15.4870 -15.4831 -15.4825 -15.4739 -15.4732 -13.0163 -13.0152 -13.0049 -13.0037 -12.9350 -12.9313 -12.9230 -12.9198 -12.8906 -12.8890 -12.8838 -12.8820 -9.1120 -9.1111 -8.9738 -8.9728 -4.8726 -4.8649 -4.6783 -4.6779 -2.1129 -2.0402 -1.8829 -1.8236 -0.8398 -0.7862 -0.5396 -0.4829 0.5037 0.5073 0.6950 0.6950 4.8539 4.9628 5.4176 5.5524 6.3231 6.3289 6.7189 6.7578 k =-0.4444 0.4419 0.1728 ( 7324 PWs) bands (ev): -15.4983 -15.4957 -15.4901 -15.4875 -15.4830 -15.4825 -15.4738 -15.4732 -13.0170 -13.0157 -13.0071 -13.0056 -12.9347 -12.9315 -12.9226 -12.9199 -12.8900 -12.8886 -12.8832 -12.8817 -9.0884 -9.0877 -8.9734 -8.9727 -4.8354 -4.8281 -4.6640 -4.6638 -2.1218 -2.0553 -1.9575 -1.9088 -0.8517 -0.8087 -0.6208 -0.5694 0.5291 0.5326 0.6823 0.6826 4.9234 5.0365 5.4063 5.5439 6.3539 6.3623 6.7023 6.7619 k =-0.4537 0.4511 0.1728 ( 7334 PWs) bands (ev): -15.4982 -15.4960 -15.4902 -15.4880 -15.4829 -15.4825 -15.4737 -15.4732 -13.0174 -13.0159 -13.0090 -13.0074 -12.9343 -12.9316 -12.9223 -12.9200 -12.8895 -12.8884 -12.8827 -12.8814 -9.0683 -9.0677 -8.9731 -8.9726 -4.8020 -4.7955 -4.6503 -4.6502 -2.1278 -2.0699 -2.0214 -1.9832 -0.8615 -0.8284 -0.6906 -0.6461 0.5512 0.5545 0.6717 0.6723 4.9879 5.1043 5.3931 5.5318 6.3801 6.4039 6.6827 6.7699 k =-0.4630 0.4603 0.1728 ( 7324 PWs) bands (ev): -15.4981 -15.4963 -15.4902 -15.4884 -15.4828 -15.4825 -15.4737 -15.4733 -13.0176 -13.0160 -13.0108 -13.0091 -12.9340 -12.9318 -12.9220 -12.9202 -12.8890 -12.8881 -12.8822 -12.8812 -9.0516 -9.0512 -8.9730 -8.9726 -4.7733 -4.7677 -4.6379 -4.6379 -2.1315 -2.0903 -2.0677 -2.0457 -0.8692 -0.8454 -0.7478 -0.7117 0.5697 0.5727 0.6632 0.6641 5.0472 5.1650 5.3786 5.5156 6.4077 6.4482 6.6606 6.7818 k =-0.4722 0.4696 0.1728 ( 7312 PWs) bands (ev): -15.4979 -15.4966 -15.4902 -15.4888 -15.4827 -15.4825 -15.4736 -15.4733 -13.0176 -13.0159 -13.0124 -13.0106 -12.9337 -12.9320 -12.9217 -12.9203 -12.8886 -12.8880 -12.8818 -12.8811 -9.0385 -9.0382 -8.9728 -8.9726 -4.7499 -4.7454 -4.6275 -4.6275 -2.1342 -2.1253 -2.0941 -2.0865 -0.8748 -0.8600 -0.7912 -0.7652 0.5841 0.5868 0.6569 0.6579 5.1011 5.2153 5.3654 5.4950 6.4367 6.4937 6.6384 6.7961 k =-0.4815 0.4788 0.1728 ( 7312 PWs) bands (ev): -15.4978 -15.4969 -15.4901 -15.4892 -15.4827 -15.4825 -15.4735 -15.4733 -13.0173 -13.0156 -13.0137 -13.0119 -12.9334 -12.9323 -12.9214 -12.9205 -12.8883 -12.8879 -12.8815 -12.8810 -9.0291 -9.0289 -8.9727 -8.9726 -4.7324 -4.7294 -4.6196 -4.6195 -2.1542 -2.1452 -2.1188 -2.0977 -0.8786 -0.8719 -0.8204 -0.8053 0.5945 0.5965 0.6528 0.6537 5.1492 5.2467 5.3617 5.4698 6.4665 6.5331 6.6237 6.7923 k =-0.4907 0.4880 0.1728 ( 7316 PWs) bands (ev): -15.4976 -15.4971 -15.4899 -15.4895 -15.4826 -15.4825 -15.4735 -15.4734 -13.0169 -13.0156 -13.0143 -13.0130 -12.9331 -12.9325 -12.9212 -12.9207 -12.8881 -12.8879 -12.8813 -12.8811 -9.0234 -9.0234 -8.9727 -8.9727 -4.7214 -4.7199 -4.6146 -4.6146 -2.1708 -2.1647 -2.1195 -2.1069 -0.8811 -0.8796 -0.8365 -0.8305 0.6008 0.6019 0.6508 0.6513 5.1912 5.2478 5.3785 5.4405 6.4961 6.5428 6.6405 6.7423 k =-0.5000 0.4972 0.1728 ( 7312 PWs) bands (ev): -15.4973 -15.4973 -15.4897 -15.4897 -15.4826 -15.4826 -15.4734 -15.4734 -13.0162 -13.0162 -13.0139 -13.0139 -12.9328 -12.9328 -12.9209 -12.9209 -12.8880 -12.8880 -12.8812 -12.8812 -9.0215 -9.0215 -8.9727 -8.9727 -4.7172 -4.7172 -4.6129 -4.6129 -2.1743 -2.1743 -2.1143 -2.1143 -0.8822 -0.8822 -0.8403 -0.8403 0.6032 0.6032 0.6504 0.6504 5.2255 5.2255 5.4086 5.4086 6.5236 6.5236 6.6873 6.6873 Writing output data file PbS.save init_run : 5.15s CPU 13.37s WALL ( 1 calls) electrons : 676.18s CPU 683.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.55s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 676.13s CPU 682.82s WALL ( 1 calls) v_of_rho : 0.27s CPU 0.94s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.23s CPU 0.61s WALL ( 1 calls) newd : 0.49s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.13s WALL ( 362 calls) cegterg : 633.05s CPU 637.06s WALL ( 718 calls) Called by sum_band: Called by *egterg: h_psi : 333.34s CPU 340.48s WALL ( 11524 calls) s_psi : 33.61s CPU 34.03s WALL ( 11524 calls) g_psi : 1.03s CPU 1.07s WALL ( 10444 calls) cdiaghg : 174.02s CPU 171.90s WALL ( 10806 calls) cegterg:over : 57.36s CPU 54.36s WALL ( 10444 calls) cegterg:upda : 16.82s CPU 20.18s WALL ( 10444 calls) cegterg:last : 13.26s CPU 13.98s WALL ( 1804 calls) Called by h_psi: h_psi:vloc : 268.95s CPU 274.43s WALL ( 11524 calls) h_psi:vnl : 63.93s CPU 65.00s WALL ( 11524 calls) add_vuspsi : 23.25s CPU 26.89s WALL ( 11524 calls) General routines calbec : 40.65s CPU 38.01s WALL ( 11524 calls) fft : 0.44s CPU 1.57s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 257.04s CPU 261.22s WALL ( 1079488 calls) interpolate : 0.03s CPU 0.08s WALL ( 4 calls) davcio : 0.03s CPU 1.62s WALL ( 724 calls) Parallel routines fft_scatter : 162.75s CPU 164.95s WALL ( 1079511 calls) PWSCF : 12m30.09s CPU 14m53.88s WALL This run was terminated on: 16:18:12 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=