Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:34:52 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./SO2.save/ 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 52 30 9 2296 1008 162 Max 53 31 11 2301 1024 167 Sum 1681 977 293 73525 32551 5275 bravais-lattice index = 14 lattice parameter (alat) = 8.0720 a.u. unit-cell volume = 746.9818 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.071984 celldm(2)= 1.000000 celldm(3)= 1.421043 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.033104 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.033104 0.999452 0.000000 ) a(3) = ( 0.000000 0.000000 1.421043 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.033122 -0.000000 ) b(2) = ( 0.000000 1.000548 -0.000000 ) b(3) = ( 0.000000 0.000000 0.703708 ) 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) O 6.00 15.99940 O( 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 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5165518 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4997260 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7105215 ) 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= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0093073 0.0096207 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0186146 0.0192413 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0279218 0.0288620 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0372291 0.0384826 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0465364 0.0481033 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0558437 0.0577239 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0651510 0.0673446 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0744583 0.0769653 -0.0000000), wk = 0.0025000 k( 10) = ( 0.0837655 0.0865859 -0.0000000), wk = 0.0025000 k( 11) = ( 0.0930728 0.0962066 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1023801 0.1058272 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1116874 0.1154479 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1209946 0.1250685 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1303019 0.1346892 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1396092 0.1443099 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1489165 0.1539305 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1582238 0.1635512 -0.0000000), wk = 0.0025000 k( 19) = ( 0.1675311 0.1731718 -0.0000000), wk = 0.0025000 k( 20) = ( 0.1768383 0.1827925 -0.0000000), wk = 0.0025000 k( 21) = ( 0.1861456 0.1924131 -0.0000000), wk = 0.0025000 k( 22) = ( 0.1954529 0.2020338 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2047602 0.2116545 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2140675 0.2212751 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2233747 0.2308958 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2326820 0.2405164 -0.0000000), wk = 0.0025000 k( 27) = ( 0.2419893 0.2501371 -0.0000000), wk = 0.0025000 k( 28) = ( 0.2512966 0.2597578 -0.0000000), wk = 0.0025000 k( 29) = ( 0.2606039 0.2693784 -0.0000000), wk = 0.0025000 k( 30) = ( 0.2699111 0.2789991 -0.0000000), wk = 0.0025000 k( 31) = ( 0.2792184 0.2886197 -0.0000000), wk = 0.0025000 k( 32) = ( 0.2885257 0.2982404 -0.0000000), wk = 0.0025000 k( 33) = ( 0.2978330 0.3078610 -0.0000000), wk = 0.0025000 k( 34) = ( 0.3071403 0.3174817 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3164476 0.3271023 -0.0000000), wk = 0.0025000 k( 36) = ( 0.3257548 0.3367230 -0.0000000), wk = 0.0025000 k( 37) = ( 0.3350621 0.3463437 -0.0000000), wk = 0.0025000 k( 38) = ( 0.3443694 0.3559643 -0.0000000), wk = 0.0025000 k( 39) = ( 0.3536767 0.3655850 -0.0000000), wk = 0.0025000 k( 40) = ( 0.3629840 0.3752056 -0.0000000), wk = 0.0025000 k( 41) = ( 0.3722912 0.3848263 -0.0000000), wk = 0.0025000 k( 42) = ( 0.3815985 0.3944470 -0.0000000), wk = 0.0025000 k( 43) = ( 0.3909058 0.4040676 -0.0000000), wk = 0.0025000 k( 44) = ( 0.4002131 0.4136883 -0.0000000), wk = 0.0025000 k( 45) = ( 0.4095204 0.4233089 -0.0000000), wk = 0.0025000 k( 46) = ( 0.4188276 0.4329296 -0.0000000), wk = 0.0025000 k( 47) = ( 0.4281349 0.4425502 -0.0000000), wk = 0.0025000 k( 48) = ( 0.4374422 0.4521709 -0.0000000), wk = 0.0025000 k( 49) = ( 0.4467495 0.4617916 -0.0000000), wk = 0.0025000 k( 50) = ( 0.4560568 0.4714122 -0.0000000), wk = 0.0025000 k( 51) = ( 0.4653640 0.4810329 -0.0000000), wk = 0.0025000 k( 52) = ( 0.4746713 0.4906535 -0.0000000), wk = 0.0025000 k( 53) = ( 0.4839786 0.5002742 -0.0000000), wk = 0.0025000 k( 54) = ( 0.4839786 0.5002742 -0.0000000), wk = 0.0025000 k( 55) = ( 0.4705348 0.5002742 -0.0000000), wk = 0.0025000 k( 56) = ( 0.4570909 0.5002742 -0.0000000), wk = 0.0025000 k( 57) = ( 0.4436471 0.5002742 -0.0000000), wk = 0.0025000 k( 58) = ( 0.4302032 0.5002742 -0.0000000), wk = 0.0025000 k( 59) = ( 0.4167594 0.5002742 -0.0000000), wk = 0.0025000 k( 60) = ( 0.4033155 0.5002742 -0.0000000), wk = 0.0025000 k( 61) = ( 0.3898717 0.5002742 -0.0000000), wk = 0.0025000 k( 62) = ( 0.3764278 0.5002742 -0.0000000), wk = 0.0025000 k( 63) = ( 0.3629840 0.5002742 -0.0000000), wk = 0.0025000 k( 64) = ( 0.3495401 0.5002742 -0.0000000), wk = 0.0025000 k( 65) = ( 0.3360963 0.5002742 -0.0000000), wk = 0.0025000 k( 66) = ( 0.3226524 0.5002742 -0.0000000), wk = 0.0025000 k( 67) = ( 0.3092086 0.5002742 -0.0000000), wk = 0.0025000 k( 68) = ( 0.2957647 0.5002742 -0.0000000), wk = 0.0025000 k( 69) = ( 0.2823209 0.5002742 -0.0000000), wk = 0.0025000 k( 70) = ( 0.2688770 0.5002742 -0.0000000), wk = 0.0025000 k( 71) = ( 0.2554332 0.5002742 -0.0000000), wk = 0.0025000 k( 72) = ( 0.2419893 0.5002742 -0.0000000), wk = 0.0025000 k( 73) = ( 0.2285455 0.5002742 -0.0000000), wk = 0.0025000 k( 74) = ( 0.2151016 0.5002742 -0.0000000), wk = 0.0025000 k( 75) = ( 0.2016577 0.5002742 -0.0000000), wk = 0.0025000 k( 76) = ( 0.1882139 0.5002742 -0.0000000), wk = 0.0025000 k( 77) = ( 0.1747701 0.5002742 -0.0000000), wk = 0.0025000 k( 78) = ( 0.1613262 0.5002742 -0.0000000), wk = 0.0025000 k( 79) = ( 0.1478823 0.5002742 -0.0000000), wk = 0.0025000 k( 80) = ( 0.1344385 0.5002742 -0.0000000), wk = 0.0025000 k( 81) = ( 0.1209946 0.5002742 -0.0000000), wk = 0.0025000 k( 82) = ( 0.1075508 0.5002742 -0.0000000), wk = 0.0025000 k( 83) = ( 0.0941069 0.5002742 -0.0000000), wk = 0.0025000 k( 84) = ( 0.0806631 0.5002742 -0.0000000), wk = 0.0025000 k( 85) = ( 0.0672192 0.5002742 -0.0000000), wk = 0.0025000 k( 86) = ( 0.0537754 0.5002742 -0.0000000), wk = 0.0025000 k( 87) = ( 0.0403316 0.5002742 -0.0000000), wk = 0.0025000 k( 88) = ( 0.0268877 0.5002742 -0.0000000), wk = 0.0025000 k( 89) = ( 0.0134439 0.5002742 -0.0000000), wk = 0.0025000 k( 90) = ( 0.0000000 0.5002742 -0.0000000), wk = 0.0025000 k( 91) = ( 0.0000000 0.5002742 -0.0000000), wk = 0.0025000 k( 92) = ( 0.0000000 0.5002742 0.0135329), wk = 0.0025000 k( 93) = ( 0.0000000 0.5002742 0.0270657), wk = 0.0025000 k( 94) = ( 0.0000000 0.5002742 0.0405986), wk = 0.0025000 k( 95) = ( 0.0000000 0.5002742 0.0541314), wk = 0.0025000 k( 96) = ( 0.0000000 0.5002742 0.0676643), wk = 0.0025000 k( 97) = ( 0.0000000 0.5002742 0.0811971), wk = 0.0025000 k( 98) = ( 0.0000000 0.5002742 0.0947300), wk = 0.0025000 k( 99) = ( 0.0000000 0.5002742 0.1082628), wk = 0.0025000 k( 100) = ( 0.0000000 0.5002742 0.1217957), wk = 0.0025000 k( 101) = ( 0.0000000 0.5002742 0.1353285), wk = 0.0025000 k( 102) = ( 0.0000000 0.5002742 0.1488614), wk = 0.0025000 k( 103) = ( 0.0000000 0.5002742 0.1623943), wk = 0.0025000 k( 104) = ( 0.0000000 0.5002742 0.1759271), wk = 0.0025000 k( 105) = ( 0.0000000 0.5002742 0.1894600), wk = 0.0025000 k( 106) = ( 0.0000000 0.5002742 0.2029928), wk = 0.0025000 k( 107) = ( 0.0000000 0.5002742 0.2165257), wk = 0.0025000 k( 108) = ( 0.0000000 0.5002742 0.2300585), wk = 0.0025000 k( 109) = ( 0.0000000 0.5002742 0.2435914), wk = 0.0025000 k( 110) = ( 0.0000000 0.5002742 0.2571242), wk = 0.0025000 k( 111) = ( 0.0000000 0.5002742 0.2706571), wk = 0.0025000 k( 112) = ( 0.0000000 0.5002742 0.2841899), wk = 0.0025000 k( 113) = ( 0.0000000 0.5002742 0.2977228), wk = 0.0025000 k( 114) = ( 0.0000000 0.5002742 0.3112557), wk = 0.0025000 k( 115) = ( 0.0000000 0.5002742 0.3247885), wk = 0.0025000 k( 116) = ( 0.0000000 0.5002742 0.3383214), wk = 0.0025000 k( 117) = ( 0.0000000 0.5002742 0.3518542), wk = 0.0025000 k( 118) = ( 0.0000000 0.5002742 0.3518542), wk = 0.0025000 k( 119) = ( 0.0134439 0.5002742 0.3518542), wk = 0.0025000 k( 120) = ( 0.0268877 0.5002742 0.3518542), wk = 0.0025000 k( 121) = ( 0.0403316 0.5002742 0.3518542), wk = 0.0025000 k( 122) = ( 0.0537754 0.5002742 0.3518542), wk = 0.0025000 k( 123) = ( 0.0672192 0.5002742 0.3518542), wk = 0.0025000 k( 124) = ( 0.0806631 0.5002742 0.3518542), wk = 0.0025000 k( 125) = ( 0.0941069 0.5002742 0.3518542), wk = 0.0025000 k( 126) = ( 0.1075508 0.5002742 0.3518542), wk = 0.0025000 k( 127) = ( 0.1209946 0.5002742 0.3518542), wk = 0.0025000 k( 128) = ( 0.1344385 0.5002742 0.3518542), wk = 0.0025000 k( 129) = ( 0.1478823 0.5002742 0.3518542), wk = 0.0025000 k( 130) = ( 0.1613262 0.5002742 0.3518542), wk = 0.0025000 k( 131) = ( 0.1747701 0.5002742 0.3518542), wk = 0.0025000 k( 132) = ( 0.1882139 0.5002742 0.3518542), wk = 0.0025000 k( 133) = ( 0.2016577 0.5002742 0.3518542), wk = 0.0025000 k( 134) = ( 0.2151016 0.5002742 0.3518542), wk = 0.0025000 k( 135) = ( 0.2285455 0.5002742 0.3518542), wk = 0.0025000 k( 136) = ( 0.2419893 0.5002742 0.3518542), wk = 0.0025000 k( 137) = ( 0.2554332 0.5002742 0.3518542), wk = 0.0025000 k( 138) = ( 0.2688770 0.5002742 0.3518542), wk = 0.0025000 k( 139) = ( 0.2823209 0.5002742 0.3518542), wk = 0.0025000 k( 140) = ( 0.2957647 0.5002742 0.3518542), wk = 0.0025000 k( 141) = ( 0.3092086 0.5002742 0.3518542), wk = 0.0025000 k( 142) = ( 0.3226524 0.5002742 0.3518542), wk = 0.0025000 k( 143) = ( 0.3360963 0.5002742 0.3518542), wk = 0.0025000 k( 144) = ( 0.3495401 0.5002742 0.3518542), wk = 0.0025000 k( 145) = ( 0.3629840 0.5002742 0.3518542), wk = 0.0025000 k( 146) = ( 0.3764278 0.5002742 0.3518542), wk = 0.0025000 k( 147) = ( 0.3898717 0.5002742 0.3518542), wk = 0.0025000 k( 148) = ( 0.4033155 0.5002742 0.3518542), wk = 0.0025000 k( 149) = ( 0.4167594 0.5002742 0.3518542), wk = 0.0025000 k( 150) = ( 0.4302032 0.5002742 0.3518542), wk = 0.0025000 k( 151) = ( 0.4436471 0.5002742 0.3518542), wk = 0.0025000 k( 152) = ( 0.4570909 0.5002742 0.3518542), wk = 0.0025000 k( 153) = ( 0.4705348 0.5002742 0.3518542), wk = 0.0025000 k( 154) = ( 0.4839786 0.5002742 0.3518542), wk = 0.0025000 k( 155) = ( 0.4839786 0.5002742 0.3518542), wk = 0.0025000 k( 156) = ( 0.4746713 0.4906535 0.3518542), wk = 0.0025000 k( 157) = ( 0.4653640 0.4810329 0.3518542), wk = 0.0025000 k( 158) = ( 0.4560568 0.4714122 0.3518542), wk = 0.0025000 k( 159) = ( 0.4467495 0.4617916 0.3518542), wk = 0.0025000 k( 160) = ( 0.4374422 0.4521709 0.3518542), wk = 0.0025000 k( 161) = ( 0.4281349 0.4425502 0.3518542), wk = 0.0025000 k( 162) = ( 0.4188276 0.4329296 0.3518542), wk = 0.0025000 k( 163) = ( 0.4095204 0.4233089 0.3518542), wk = 0.0025000 k( 164) = ( 0.4002131 0.4136883 0.3518542), wk = 0.0025000 k( 165) = ( 0.3909058 0.4040676 0.3518542), wk = 0.0025000 k( 166) = ( 0.3815985 0.3944470 0.3518542), wk = 0.0025000 k( 167) = ( 0.3722912 0.3848263 0.3518542), wk = 0.0025000 k( 168) = ( 0.3629840 0.3752056 0.3518542), wk = 0.0025000 k( 169) = ( 0.3536767 0.3655850 0.3518542), wk = 0.0025000 k( 170) = ( 0.3443694 0.3559643 0.3518542), wk = 0.0025000 k( 171) = ( 0.3350621 0.3463437 0.3518542), wk = 0.0025000 k( 172) = ( 0.3257548 0.3367230 0.3518542), wk = 0.0025000 k( 173) = ( 0.3164476 0.3271023 0.3518542), wk = 0.0025000 k( 174) = ( 0.3071403 0.3174817 0.3518542), wk = 0.0025000 k( 175) = ( 0.2978330 0.3078610 0.3518542), wk = 0.0025000 k( 176) = ( 0.2885257 0.2982404 0.3518542), wk = 0.0025000 k( 177) = ( 0.2792184 0.2886197 0.3518542), wk = 0.0025000 k( 178) = ( 0.2699111 0.2789991 0.3518542), wk = 0.0025000 k( 179) = ( 0.2606039 0.2693784 0.3518542), wk = 0.0025000 k( 180) = ( 0.2512966 0.2597578 0.3518542), wk = 0.0025000 k( 181) = ( 0.2419893 0.2501371 0.3518542), wk = 0.0025000 k( 182) = ( 0.2326820 0.2405164 0.3518542), wk = 0.0025000 k( 183) = ( 0.2233747 0.2308958 0.3518542), wk = 0.0025000 k( 184) = ( 0.2140675 0.2212751 0.3518542), wk = 0.0025000 k( 185) = ( 0.2047602 0.2116545 0.3518542), wk = 0.0025000 k( 186) = ( 0.1954529 0.2020338 0.3518542), wk = 0.0025000 k( 187) = ( 0.1861456 0.1924131 0.3518542), wk = 0.0025000 k( 188) = ( 0.1768383 0.1827925 0.3518542), wk = 0.0025000 k( 189) = ( 0.1675311 0.1731718 0.3518542), wk = 0.0025000 k( 190) = ( 0.1582238 0.1635512 0.3518542), wk = 0.0025000 k( 191) = ( 0.1489165 0.1539305 0.3518542), wk = 0.0025000 k( 192) = ( 0.1396092 0.1443099 0.3518542), wk = 0.0025000 k( 193) = ( 0.1303019 0.1346892 0.3518542), wk = 0.0025000 k( 194) = ( 0.1209946 0.1250685 0.3518542), wk = 0.0025000 k( 195) = ( 0.1116874 0.1154479 0.3518542), wk = 0.0025000 k( 196) = ( 0.1023801 0.1058272 0.3518542), wk = 0.0025000 k( 197) = ( 0.0930728 0.0962066 0.3518542), wk = 0.0025000 k( 198) = ( 0.0837655 0.0865859 0.3518542), wk = 0.0025000 k( 199) = ( 0.0744583 0.0769653 0.3518542), wk = 0.0025000 k( 200) = ( 0.0651510 0.0673446 0.3518542), wk = 0.0025000 k( 201) = ( 0.0558437 0.0577239 0.3518542), wk = 0.0025000 k( 202) = ( 0.0465364 0.0481033 0.3518542), wk = 0.0025000 k( 203) = ( 0.0372291 0.0384826 0.3518542), wk = 0.0025000 k( 204) = ( 0.0279218 0.0288620 0.3518542), wk = 0.0025000 k( 205) = ( 0.0186146 0.0192413 0.3518542), wk = 0.0025000 k( 206) = ( 0.0093073 0.0096207 0.3518542), wk = 0.0025000 k( 207) = ( 0.0000000 0.0000000 0.3518542), wk = 0.0025000 k( 208) = ( 0.0000000 0.0000000 0.3518542), wk = 0.0025000 k( 209) = ( 0.0000000 0.0000000 0.3383214), wk = 0.0025000 k( 210) = ( 0.0000000 0.0000000 0.3247885), wk = 0.0025000 k( 211) = ( 0.0000000 0.0000000 0.3112557), wk = 0.0025000 k( 212) = ( 0.0000000 0.0000000 0.2977228), wk = 0.0025000 k( 213) = ( 0.0000000 0.0000000 0.2841899), wk = 0.0025000 k( 214) = ( 0.0000000 0.0000000 0.2706571), wk = 0.0025000 k( 215) = ( 0.0000000 0.0000000 0.2571242), wk = 0.0025000 k( 216) = ( 0.0000000 0.0000000 0.2435914), wk = 0.0025000 k( 217) = ( 0.0000000 0.0000000 0.2300585), wk = 0.0025000 k( 218) = ( 0.0000000 0.0000000 0.2165257), wk = 0.0025000 k( 219) = ( 0.0000000 0.0000000 0.2029928), wk = 0.0025000 k( 220) = ( 0.0000000 0.0000000 0.1894600), wk = 0.0025000 k( 221) = ( 0.0000000 0.0000000 0.1759271), wk = 0.0025000 k( 222) = ( 0.0000000 0.0000000 0.1623943), wk = 0.0025000 k( 223) = ( 0.0000000 0.0000000 0.1488614), wk = 0.0025000 k( 224) = ( 0.0000000 0.0000000 0.1353285), wk = 0.0025000 k( 225) = ( 0.0000000 0.0000000 0.1217957), wk = 0.0025000 k( 226) = ( 0.0000000 0.0000000 0.1082628), wk = 0.0025000 k( 227) = ( 0.0000000 0.0000000 0.0947300), wk = 0.0025000 k( 228) = ( 0.0000000 0.0000000 0.0811971), wk = 0.0025000 k( 229) = ( 0.0000000 0.0000000 0.0676643), wk = 0.0025000 k( 230) = ( 0.0000000 0.0000000 0.0541314), wk = 0.0025000 k( 231) = ( 0.0000000 0.0000000 0.0405986), wk = 0.0025000 k( 232) = ( 0.0000000 0.0000000 0.0270657), wk = 0.0025000 k( 233) = ( 0.0000000 0.0000000 0.0135329), wk = 0.0025000 k( 234) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 236) = ( -0.0096154 0.0093022 -0.0000000), wk = 0.0025000 k( 237) = ( -0.0192308 0.0186044 -0.0000000), wk = 0.0025000 k( 238) = ( -0.0288462 0.0279065 -0.0000000), wk = 0.0025000 k( 239) = ( -0.0384615 0.0372087 -0.0000000), wk = 0.0025000 k( 240) = ( -0.0480769 0.0465109 -0.0000000), wk = 0.0025000 k( 241) = ( -0.0576923 0.0558131 -0.0000000), wk = 0.0025000 k( 242) = ( -0.0673077 0.0651153 -0.0000000), wk = 0.0025000 k( 243) = ( -0.0769231 0.0744174 -0.0000000), wk = 0.0025000 k( 244) = ( -0.0865385 0.0837196 -0.0000000), wk = 0.0025000 k( 245) = ( -0.0961538 0.0930218 -0.0000000), wk = 0.0025000 k( 246) = ( -0.1057692 0.1023240 -0.0000000), wk = 0.0025000 k( 247) = ( -0.1153846 0.1116262 -0.0000000), wk = 0.0025000 k( 248) = ( -0.1250000 0.1209283 -0.0000000), wk = 0.0025000 k( 249) = ( -0.1346154 0.1302305 -0.0000000), wk = 0.0025000 k( 250) = ( -0.1442308 0.1395327 -0.0000000), wk = 0.0025000 k( 251) = ( -0.1538461 0.1488349 -0.0000000), wk = 0.0025000 k( 252) = ( -0.1634615 0.1581371 -0.0000000), wk = 0.0025000 k( 253) = ( -0.1730769 0.1674392 -0.0000000), wk = 0.0025000 k( 254) = ( -0.1826923 0.1767414 -0.0000000), wk = 0.0025000 k( 255) = ( -0.1923077 0.1860436 -0.0000000), wk = 0.0025000 k( 256) = ( -0.2019231 0.1953458 -0.0000000), wk = 0.0025000 k( 257) = ( -0.2115385 0.2046480 -0.0000000), wk = 0.0025000 k( 258) = ( -0.2211539 0.2139501 -0.0000000), wk = 0.0025000 k( 259) = ( -0.2307692 0.2232523 -0.0000000), wk = 0.0025000 k( 260) = ( -0.2403846 0.2325545 -0.0000000), wk = 0.0025000 k( 261) = ( -0.2500000 0.2418567 -0.0000000), wk = 0.0025000 k( 262) = ( -0.2596154 0.2511589 -0.0000000), wk = 0.0025000 k( 263) = ( -0.2692308 0.2604610 -0.0000000), wk = 0.0025000 k( 264) = ( -0.2788462 0.2697632 -0.0000000), wk = 0.0025000 k( 265) = ( -0.2884615 0.2790654 -0.0000000), wk = 0.0025000 k( 266) = ( -0.2980769 0.2883676 -0.0000000), wk = 0.0025000 k( 267) = ( -0.3076923 0.2976698 -0.0000000), wk = 0.0025000 k( 268) = ( -0.3173077 0.3069719 -0.0000000), wk = 0.0025000 k( 269) = ( -0.3269231 0.3162741 -0.0000000), wk = 0.0025000 k( 270) = ( -0.3365385 0.3255763 -0.0000000), wk = 0.0025000 k( 271) = ( -0.3461538 0.3348785 -0.0000000), wk = 0.0025000 k( 272) = ( -0.3557692 0.3441807 -0.0000000), wk = 0.0025000 k( 273) = ( -0.3653846 0.3534828 -0.0000000), wk = 0.0025000 k( 274) = ( -0.3750000 0.3627850 -0.0000000), wk = 0.0025000 k( 275) = ( -0.3846154 0.3720872 -0.0000000), wk = 0.0025000 k( 276) = ( -0.3942308 0.3813894 -0.0000000), wk = 0.0025000 k( 277) = ( -0.4038462 0.3906916 -0.0000000), wk = 0.0025000 k( 278) = ( -0.4134615 0.3999937 -0.0000000), wk = 0.0025000 k( 279) = ( -0.4230769 0.4092959 -0.0000000), wk = 0.0025000 k( 280) = ( -0.4326923 0.4185981 -0.0000000), wk = 0.0025000 k( 281) = ( -0.4423077 0.4279003 -0.0000000), wk = 0.0025000 k( 282) = ( -0.4519231 0.4372025 -0.0000000), wk = 0.0025000 k( 283) = ( -0.4615385 0.4465046 -0.0000000), wk = 0.0025000 k( 284) = ( -0.4711538 0.4558068 -0.0000000), wk = 0.0025000 k( 285) = ( -0.4807692 0.4651090 -0.0000000), wk = 0.0025000 k( 286) = ( -0.4903846 0.4744112 -0.0000000), wk = 0.0025000 k( 287) = ( -0.5000000 0.4837134 -0.0000000), wk = 0.0025000 k( 288) = ( -0.5000000 0.4837134 -0.0000000), wk = 0.0025000 k( 289) = ( -0.4919893 0.4919938 -0.0000000), wk = 0.0025000 k( 290) = ( -0.4839786 0.5002742 -0.0000000), wk = 0.0025000 k( 291) = ( -0.4839786 0.5002742 -0.0000000), wk = 0.0025000 k( 292) = ( -0.4839786 0.5002742 0.0135329), wk = 0.0025000 k( 293) = ( -0.4839786 0.5002742 0.0270657), wk = 0.0025000 k( 294) = ( -0.4839786 0.5002742 0.0405986), wk = 0.0025000 k( 295) = ( -0.4839786 0.5002742 0.0541314), wk = 0.0025000 k( 296) = ( -0.4839786 0.5002742 0.0676643), wk = 0.0025000 k( 297) = ( -0.4839786 0.5002742 0.0811971), wk = 0.0025000 k( 298) = ( -0.4839786 0.5002742 0.0947300), wk = 0.0025000 k( 299) = ( -0.4839786 0.5002742 0.1082628), wk = 0.0025000 k( 300) = ( -0.4839786 0.5002742 0.1217957), wk = 0.0025000 k( 301) = ( -0.4839786 0.5002742 0.1353285), wk = 0.0025000 k( 302) = ( -0.4839786 0.5002742 0.1488614), wk = 0.0025000 k( 303) = ( -0.4839786 0.5002742 0.1623943), wk = 0.0025000 k( 304) = ( -0.4839786 0.5002742 0.1759271), wk = 0.0025000 k( 305) = ( -0.4839786 0.5002742 0.1894600), wk = 0.0025000 k( 306) = ( -0.4839786 0.5002742 0.2029928), wk = 0.0025000 k( 307) = ( -0.4839786 0.5002742 0.2165257), wk = 0.0025000 k( 308) = ( -0.4839786 0.5002742 0.2300585), wk = 0.0025000 k( 309) = ( -0.4839786 0.5002742 0.2435914), wk = 0.0025000 k( 310) = ( -0.4839786 0.5002742 0.2571242), wk = 0.0025000 k( 311) = ( -0.4839786 0.5002742 0.2706571), wk = 0.0025000 k( 312) = ( -0.4839786 0.5002742 0.2841899), wk = 0.0025000 k( 313) = ( -0.4839786 0.5002742 0.2977228), wk = 0.0025000 k( 314) = ( -0.4839786 0.5002742 0.3112557), wk = 0.0025000 k( 315) = ( -0.4839786 0.5002742 0.3247885), wk = 0.0025000 k( 316) = ( -0.4839786 0.5002742 0.3383214), wk = 0.0025000 k( 317) = ( -0.4839786 0.5002742 0.3518542), wk = 0.0025000 k( 318) = ( -0.4839786 0.5002742 0.3518542), wk = 0.0025000 k( 319) = ( -0.4919893 0.4919938 0.3518542), wk = 0.0025000 k( 320) = ( -0.5000000 0.4837134 0.3518542), wk = 0.0025000 k( 321) = ( -0.5000000 0.4837134 0.3518542), wk = 0.0025000 k( 322) = ( -0.5000000 0.4837134 0.3383214), wk = 0.0025000 k( 323) = ( -0.5000000 0.4837134 0.3247885), wk = 0.0025000 k( 324) = ( -0.5000000 0.4837134 0.3112557), wk = 0.0025000 k( 325) = ( -0.5000000 0.4837134 0.2977228), wk = 0.0025000 k( 326) = ( -0.5000000 0.4837134 0.2841899), wk = 0.0025000 k( 327) = ( -0.5000000 0.4837134 0.2706571), wk = 0.0025000 k( 328) = ( -0.5000000 0.4837134 0.2571242), wk = 0.0025000 k( 329) = ( -0.5000000 0.4837134 0.2435914), wk = 0.0025000 k( 330) = ( -0.5000000 0.4837134 0.2300585), wk = 0.0025000 k( 331) = ( -0.5000000 0.4837134 0.2165257), wk = 0.0025000 k( 332) = ( -0.5000000 0.4837134 0.2029928), wk = 0.0025000 k( 333) = ( -0.5000000 0.4837134 0.1894600), wk = 0.0025000 k( 334) = ( -0.5000000 0.4837134 0.1759271), wk = 0.0025000 k( 335) = ( -0.5000000 0.4837134 0.1623943), wk = 0.0025000 k( 336) = ( -0.5000000 0.4837134 0.1488614), wk = 0.0025000 k( 337) = ( -0.5000000 0.4837134 0.1353285), wk = 0.0025000 k( 338) = ( -0.5000000 0.4837134 0.1217957), wk = 0.0025000 k( 339) = ( -0.5000000 0.4837134 0.1082628), wk = 0.0025000 k( 340) = ( -0.5000000 0.4837134 0.0947300), wk = 0.0025000 k( 341) = ( -0.5000000 0.4837134 0.0811971), wk = 0.0025000 k( 342) = ( -0.5000000 0.4837134 0.0676643), wk = 0.0025000 k( 343) = ( -0.5000000 0.4837134 0.0541314), wk = 0.0025000 k( 344) = ( -0.5000000 0.4837134 0.0405986), wk = 0.0025000 k( 345) = ( -0.5000000 0.4837134 0.0270657), wk = 0.0025000 k( 346) = ( -0.5000000 0.4837134 0.0135329), wk = 0.0025000 k( 347) = ( -0.5000000 0.4837134 -0.0000000), wk = 0.0025000 k( 348) = ( 0.0000000 0.0000000 0.3518542), wk = 0.0025000 k( 349) = ( -0.0096154 0.0093022 0.3518542), wk = 0.0025000 k( 350) = ( -0.0192308 0.0186044 0.3518542), wk = 0.0025000 k( 351) = ( -0.0288462 0.0279065 0.3518542), wk = 0.0025000 k( 352) = ( -0.0384615 0.0372087 0.3518542), wk = 0.0025000 k( 353) = ( -0.0480769 0.0465109 0.3518542), wk = 0.0025000 k( 354) = ( -0.0576923 0.0558131 0.3518542), wk = 0.0025000 k( 355) = ( -0.0673077 0.0651153 0.3518542), wk = 0.0025000 k( 356) = ( -0.0769231 0.0744174 0.3518542), wk = 0.0025000 k( 357) = ( -0.0865385 0.0837196 0.3518542), wk = 0.0025000 k( 358) = ( -0.0961538 0.0930218 0.3518542), wk = 0.0025000 k( 359) = ( -0.1057692 0.1023240 0.3518542), wk = 0.0025000 k( 360) = ( -0.1153846 0.1116262 0.3518542), wk = 0.0025000 k( 361) = ( -0.1250000 0.1209283 0.3518542), wk = 0.0025000 k( 362) = ( -0.1346154 0.1302305 0.3518542), wk = 0.0025000 k( 363) = ( -0.1442308 0.1395327 0.3518542), wk = 0.0025000 k( 364) = ( -0.1538461 0.1488349 0.3518542), wk = 0.0025000 k( 365) = ( -0.1634615 0.1581371 0.3518542), wk = 0.0025000 k( 366) = ( -0.1730769 0.1674392 0.3518542), wk = 0.0025000 k( 367) = ( -0.1826923 0.1767414 0.3518542), wk = 0.0025000 k( 368) = ( -0.1923077 0.1860436 0.3518542), wk = 0.0025000 k( 369) = ( -0.2019231 0.1953458 0.3518542), wk = 0.0025000 k( 370) = ( -0.2115385 0.2046480 0.3518542), wk = 0.0025000 k( 371) = ( -0.2211539 0.2139501 0.3518542), wk = 0.0025000 k( 372) = ( -0.2307692 0.2232523 0.3518542), wk = 0.0025000 k( 373) = ( -0.2403846 0.2325545 0.3518542), wk = 0.0025000 k( 374) = ( -0.2500000 0.2418567 0.3518542), wk = 0.0025000 k( 375) = ( -0.2596154 0.2511589 0.3518542), wk = 0.0025000 k( 376) = ( -0.2692308 0.2604610 0.3518542), wk = 0.0025000 k( 377) = ( -0.2788462 0.2697632 0.3518542), wk = 0.0025000 k( 378) = ( -0.2884615 0.2790654 0.3518542), wk = 0.0025000 k( 379) = ( -0.2980769 0.2883676 0.3518542), wk = 0.0025000 k( 380) = ( -0.3076923 0.2976698 0.3518542), wk = 0.0025000 k( 381) = ( -0.3173077 0.3069719 0.3518542), wk = 0.0025000 k( 382) = ( -0.3269231 0.3162741 0.3518542), wk = 0.0025000 k( 383) = ( -0.3365385 0.3255763 0.3518542), wk = 0.0025000 k( 384) = ( -0.3461538 0.3348785 0.3518542), wk = 0.0025000 k( 385) = ( -0.3557692 0.3441807 0.3518542), wk = 0.0025000 k( 386) = ( -0.3653846 0.3534828 0.3518542), wk = 0.0025000 k( 387) = ( -0.3750000 0.3627850 0.3518542), wk = 0.0025000 k( 388) = ( -0.3846154 0.3720872 0.3518542), wk = 0.0025000 k( 389) = ( -0.3942308 0.3813894 0.3518542), wk = 0.0025000 k( 390) = ( -0.4038462 0.3906916 0.3518542), wk = 0.0025000 k( 391) = ( -0.4134615 0.3999937 0.3518542), wk = 0.0025000 k( 392) = ( -0.4230769 0.4092959 0.3518542), wk = 0.0025000 k( 393) = ( -0.4326923 0.4185981 0.3518542), wk = 0.0025000 k( 394) = ( -0.4423077 0.4279003 0.3518542), wk = 0.0025000 k( 395) = ( -0.4519231 0.4372025 0.3518542), wk = 0.0025000 k( 396) = ( -0.4615385 0.4465046 0.3518542), wk = 0.0025000 k( 397) = ( -0.4711538 0.4558068 0.3518542), wk = 0.0025000 k( 398) = ( -0.4807692 0.4651090 0.3518542), wk = 0.0025000 k( 399) = ( -0.4903846 0.4744112 0.3518542), wk = 0.0025000 k( 400) = ( -0.5000000 0.4837134 0.3518542), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0093073 0.0093073 0.0000000), wk = 0.0025000 k( 3) = ( 0.0186146 0.0186146 0.0000000), wk = 0.0025000 k( 4) = ( 0.0279218 0.0279218 0.0000000), wk = 0.0025000 k( 5) = ( 0.0372291 0.0372291 0.0000000), wk = 0.0025000 k( 6) = ( 0.0465364 0.0465364 0.0000000), wk = 0.0025000 k( 7) = ( 0.0558437 0.0558437 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0651510 0.0651510 0.0000000), wk = 0.0025000 k( 9) = ( 0.0744583 0.0744583 -0.0000000), wk = 0.0025000 k( 10) = ( 0.0837655 0.0837655 0.0000000), wk = 0.0025000 k( 11) = ( 0.0930728 0.0930728 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1023801 0.1023801 0.0000000), wk = 0.0025000 k( 13) = ( 0.1116874 0.1116874 0.0000000), wk = 0.0025000 k( 14) = ( 0.1209946 0.1209947 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1303019 0.1303019 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1396092 0.1396092 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1489165 0.1489165 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1582238 0.1582238 0.0000000), wk = 0.0025000 k( 19) = ( 0.1675311 0.1675311 0.0000000), wk = 0.0025000 k( 20) = ( 0.1768383 0.1768383 0.0000000), wk = 0.0025000 k( 21) = ( 0.1861456 0.1861456 -0.0000000), wk = 0.0025000 k( 22) = ( 0.1954529 0.1954529 0.0000000), wk = 0.0025000 k( 23) = ( 0.2047602 0.2047602 0.0000000), wk = 0.0025000 k( 24) = ( 0.2140675 0.2140675 0.0000000), wk = 0.0025000 k( 25) = ( 0.2233747 0.2233747 0.0000000), wk = 0.0025000 k( 26) = ( 0.2326820 0.2326820 0.0000000), wk = 0.0025000 k( 27) = ( 0.2419893 0.2419893 -0.0000000), wk = 0.0025000 k( 28) = ( 0.2512966 0.2512966 -0.0000000), wk = 0.0025000 k( 29) = ( 0.2606039 0.2606039 -0.0000000), wk = 0.0025000 k( 30) = ( 0.2699111 0.2699112 0.0000000), wk = 0.0025000 k( 31) = ( 0.2792184 0.2792184 0.0000000), wk = 0.0025000 k( 32) = ( 0.2885257 0.2885257 0.0000000), wk = 0.0025000 k( 33) = ( 0.2978330 0.2978330 -0.0000000), wk = 0.0025000 k( 34) = ( 0.3071403 0.3071403 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3164476 0.3164476 0.0000000), wk = 0.0025000 k( 36) = ( 0.3257548 0.3257548 0.0000000), wk = 0.0025000 k( 37) = ( 0.3350621 0.3350621 0.0000000), wk = 0.0025000 k( 38) = ( 0.3443694 0.3443694 0.0000000), wk = 0.0025000 k( 39) = ( 0.3536767 0.3536767 0.0000000), wk = 0.0025000 k( 40) = ( 0.3629840 0.3629840 -0.0000000), wk = 0.0025000 k( 41) = ( 0.3722912 0.3722912 -0.0000000), wk = 0.0025000 k( 42) = ( 0.3815985 0.3815985 0.0000000), wk = 0.0025000 k( 43) = ( 0.3909058 0.3909058 0.0000000), wk = 0.0025000 k( 44) = ( 0.4002131 0.4002131 0.0000000), wk = 0.0025000 k( 45) = ( 0.4095204 0.4095204 0.0000000), wk = 0.0025000 k( 46) = ( 0.4188276 0.4188276 0.0000000), wk = 0.0025000 k( 47) = ( 0.4281349 0.4281349 0.0000000), wk = 0.0025000 k( 48) = ( 0.4374422 0.4374422 0.0000000), wk = 0.0025000 k( 49) = ( 0.4467495 0.4467495 0.0000000), wk = 0.0025000 k( 50) = ( 0.4560568 0.4560568 0.0000000), wk = 0.0025000 k( 51) = ( 0.4653640 0.4653641 -0.0000000), wk = 0.0025000 k( 52) = ( 0.4746713 0.4746713 -0.0000000), wk = 0.0025000 k( 53) = ( 0.4839786 0.4839786 0.0000000), wk = 0.0025000 k( 54) = ( 0.4839786 0.4839786 0.0000000), wk = 0.0025000 k( 55) = ( 0.4705348 0.4844237 -0.0000000), wk = 0.0025000 k( 56) = ( 0.4570909 0.4848687 0.0000000), wk = 0.0025000 k( 57) = ( 0.4436471 0.4853137 0.0000000), wk = 0.0025000 k( 58) = ( 0.4302032 0.4857588 0.0000000), wk = 0.0025000 k( 59) = ( 0.4167594 0.4862038 0.0000000), wk = 0.0025000 k( 60) = ( 0.4033155 0.4866488 -0.0000000), wk = 0.0025000 k( 61) = ( 0.3898717 0.4870939 0.0000000), wk = 0.0025000 k( 62) = ( 0.3764278 0.4875389 -0.0000000), wk = 0.0025000 k( 63) = ( 0.3629840 0.4879840 0.0000000), wk = 0.0025000 k( 64) = ( 0.3495401 0.4884290 -0.0000000), wk = 0.0025000 k( 65) = ( 0.3360963 0.4888740 -0.0000000), wk = 0.0025000 k( 66) = ( 0.3226524 0.4893191 0.0000000), wk = 0.0025000 k( 67) = ( 0.3092086 0.4897641 -0.0000000), wk = 0.0025000 k( 68) = ( 0.2957647 0.4902092 0.0000000), wk = 0.0025000 k( 69) = ( 0.2823209 0.4906542 0.0000000), wk = 0.0025000 k( 70) = ( 0.2688770 0.4910992 0.0000000), wk = 0.0025000 k( 71) = ( 0.2554332 0.4915443 0.0000000), wk = 0.0025000 k( 72) = ( 0.2419893 0.4919893 0.0000000), wk = 0.0025000 k( 73) = ( 0.2285455 0.4924343 0.0000000), wk = 0.0025000 k( 74) = ( 0.2151016 0.4928794 0.0000000), wk = 0.0025000 k( 75) = ( 0.2016577 0.4933244 0.0000000), wk = 0.0025000 k( 76) = ( 0.1882139 0.4937695 0.0000000), wk = 0.0025000 k( 77) = ( 0.1747701 0.4942145 -0.0000000), wk = 0.0025000 k( 78) = ( 0.1613262 0.4946595 0.0000000), wk = 0.0025000 k( 79) = ( 0.1478823 0.4951046 0.0000000), wk = 0.0025000 k( 80) = ( 0.1344385 0.4955496 -0.0000000), wk = 0.0025000 k( 81) = ( 0.1209946 0.4959947 0.0000000), wk = 0.0025000 k( 82) = ( 0.1075508 0.4964397 0.0000000), wk = 0.0025000 k( 83) = ( 0.0941069 0.4968847 0.0000000), wk = 0.0025000 k( 84) = ( 0.0806631 0.4973298 0.0000000), wk = 0.0025000 k( 85) = ( 0.0672192 0.4977748 -0.0000000), wk = 0.0025000 k( 86) = ( 0.0537754 0.4982199 -0.0000000), wk = 0.0025000 k( 87) = ( 0.0403316 0.4986649 0.0000000), wk = 0.0025000 k( 88) = ( 0.0268877 0.4991099 0.0000000), wk = 0.0025000 k( 89) = ( 0.0134439 0.4995550 0.0000000), wk = 0.0025000 k( 90) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 91) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 92) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0025000 k( 93) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025000 k( 94) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0025000 k( 95) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025000 k( 96) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0025000 k( 97) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025000 k( 98) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0025000 k( 99) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025000 k( 100) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0025000 k( 101) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025000 k( 102) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0025000 k( 103) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025000 k( 104) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 105) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025000 k( 106) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0025000 k( 107) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025000 k( 108) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0025000 k( 109) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025000 k( 110) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0025000 k( 111) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025000 k( 112) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0025000 k( 113) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025000 k( 114) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0025000 k( 115) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025000 k( 116) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0025000 k( 117) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 119) = ( 0.0134439 0.4995550 0.5000000), wk = 0.0025000 k( 120) = ( 0.0268877 0.4991099 0.5000000), wk = 0.0025000 k( 121) = ( 0.0403316 0.4986649 0.5000000), wk = 0.0025000 k( 122) = ( 0.0537754 0.4982199 0.5000000), wk = 0.0025000 k( 123) = ( 0.0672192 0.4977748 0.5000000), wk = 0.0025000 k( 124) = ( 0.0806631 0.4973298 0.5000000), wk = 0.0025000 k( 125) = ( 0.0941069 0.4968847 0.5000000), wk = 0.0025000 k( 126) = ( 0.1075508 0.4964397 0.5000000), wk = 0.0025000 k( 127) = ( 0.1209946 0.4959947 0.5000000), wk = 0.0025000 k( 128) = ( 0.1344385 0.4955496 0.5000000), wk = 0.0025000 k( 129) = ( 0.1478823 0.4951046 0.5000000), wk = 0.0025000 k( 130) = ( 0.1613262 0.4946595 0.5000000), wk = 0.0025000 k( 131) = ( 0.1747701 0.4942145 0.5000000), wk = 0.0025000 k( 132) = ( 0.1882139 0.4937695 0.5000000), wk = 0.0025000 k( 133) = ( 0.2016577 0.4933244 0.5000000), wk = 0.0025000 k( 134) = ( 0.2151016 0.4928794 0.5000000), wk = 0.0025000 k( 135) = ( 0.2285455 0.4924343 0.5000000), wk = 0.0025000 k( 136) = ( 0.2419893 0.4919893 0.5000000), wk = 0.0025000 k( 137) = ( 0.2554332 0.4915443 0.5000000), wk = 0.0025000 k( 138) = ( 0.2688770 0.4910992 0.5000000), wk = 0.0025000 k( 139) = ( 0.2823209 0.4906542 0.5000000), wk = 0.0025000 k( 140) = ( 0.2957647 0.4902092 0.5000000), wk = 0.0025000 k( 141) = ( 0.3092086 0.4897641 0.5000000), wk = 0.0025000 k( 142) = ( 0.3226524 0.4893191 0.5000000), wk = 0.0025000 k( 143) = ( 0.3360963 0.4888740 0.5000000), wk = 0.0025000 k( 144) = ( 0.3495401 0.4884290 0.5000000), wk = 0.0025000 k( 145) = ( 0.3629840 0.4879840 0.5000000), wk = 0.0025000 k( 146) = ( 0.3764278 0.4875389 0.5000000), wk = 0.0025000 k( 147) = ( 0.3898717 0.4870939 0.5000000), wk = 0.0025000 k( 148) = ( 0.4033155 0.4866488 0.5000000), wk = 0.0025000 k( 149) = ( 0.4167594 0.4862038 0.5000000), wk = 0.0025000 k( 150) = ( 0.4302032 0.4857588 0.5000000), wk = 0.0025000 k( 151) = ( 0.4436471 0.4853137 0.5000000), wk = 0.0025000 k( 152) = ( 0.4570909 0.4848687 0.5000000), wk = 0.0025000 k( 153) = ( 0.4705348 0.4844237 0.5000000), wk = 0.0025000 k( 154) = ( 0.4839786 0.4839786 0.5000000), wk = 0.0025000 k( 155) = ( 0.4839786 0.4839786 0.5000000), wk = 0.0025000 k( 156) = ( 0.4746713 0.4746713 0.5000000), wk = 0.0025000 k( 157) = ( 0.4653640 0.4653641 0.5000000), wk = 0.0025000 k( 158) = ( 0.4560568 0.4560568 0.5000000), wk = 0.0025000 k( 159) = ( 0.4467495 0.4467495 0.5000000), wk = 0.0025000 k( 160) = ( 0.4374422 0.4374422 0.5000000), wk = 0.0025000 k( 161) = ( 0.4281349 0.4281349 0.5000000), wk = 0.0025000 k( 162) = ( 0.4188276 0.4188276 0.5000000), wk = 0.0025000 k( 163) = ( 0.4095204 0.4095204 0.5000000), wk = 0.0025000 k( 164) = ( 0.4002131 0.4002131 0.5000000), wk = 0.0025000 k( 165) = ( 0.3909058 0.3909058 0.5000000), wk = 0.0025000 k( 166) = ( 0.3815985 0.3815985 0.5000000), wk = 0.0025000 k( 167) = ( 0.3722912 0.3722912 0.5000000), wk = 0.0025000 k( 168) = ( 0.3629840 0.3629840 0.5000000), wk = 0.0025000 k( 169) = ( 0.3536767 0.3536767 0.5000000), wk = 0.0025000 k( 170) = ( 0.3443694 0.3443694 0.5000000), wk = 0.0025000 k( 171) = ( 0.3350621 0.3350621 0.5000000), wk = 0.0025000 k( 172) = ( 0.3257548 0.3257548 0.5000000), wk = 0.0025000 k( 173) = ( 0.3164476 0.3164476 0.5000000), wk = 0.0025000 k( 174) = ( 0.3071403 0.3071403 0.5000000), wk = 0.0025000 k( 175) = ( 0.2978330 0.2978330 0.5000000), wk = 0.0025000 k( 176) = ( 0.2885257 0.2885257 0.5000000), wk = 0.0025000 k( 177) = ( 0.2792184 0.2792184 0.5000000), wk = 0.0025000 k( 178) = ( 0.2699111 0.2699112 0.5000000), wk = 0.0025000 k( 179) = ( 0.2606039 0.2606039 0.5000000), wk = 0.0025000 k( 180) = ( 0.2512966 0.2512966 0.5000000), wk = 0.0025000 k( 181) = ( 0.2419893 0.2419893 0.5000000), wk = 0.0025000 k( 182) = ( 0.2326820 0.2326820 0.5000000), wk = 0.0025000 k( 183) = ( 0.2233747 0.2233747 0.5000000), wk = 0.0025000 k( 184) = ( 0.2140675 0.2140675 0.5000000), wk = 0.0025000 k( 185) = ( 0.2047602 0.2047602 0.5000000), wk = 0.0025000 k( 186) = ( 0.1954529 0.1954529 0.5000000), wk = 0.0025000 k( 187) = ( 0.1861456 0.1861456 0.5000000), wk = 0.0025000 k( 188) = ( 0.1768383 0.1768383 0.5000000), wk = 0.0025000 k( 189) = ( 0.1675311 0.1675311 0.5000000), wk = 0.0025000 k( 190) = ( 0.1582238 0.1582238 0.5000000), wk = 0.0025000 k( 191) = ( 0.1489165 0.1489165 0.5000000), wk = 0.0025000 k( 192) = ( 0.1396092 0.1396092 0.5000000), wk = 0.0025000 k( 193) = ( 0.1303019 0.1303019 0.5000000), wk = 0.0025000 k( 194) = ( 0.1209946 0.1209947 0.5000000), wk = 0.0025000 k( 195) = ( 0.1116874 0.1116874 0.5000000), wk = 0.0025000 k( 196) = ( 0.1023801 0.1023801 0.5000000), wk = 0.0025000 k( 197) = ( 0.0930728 0.0930728 0.5000000), wk = 0.0025000 k( 198) = ( 0.0837655 0.0837655 0.5000000), wk = 0.0025000 k( 199) = ( 0.0744583 0.0744583 0.5000000), wk = 0.0025000 k( 200) = ( 0.0651510 0.0651510 0.5000000), wk = 0.0025000 k( 201) = ( 0.0558437 0.0558437 0.5000000), wk = 0.0025000 k( 202) = ( 0.0465364 0.0465364 0.5000000), wk = 0.0025000 k( 203) = ( 0.0372291 0.0372291 0.5000000), wk = 0.0025000 k( 204) = ( 0.0279218 0.0279218 0.5000000), wk = 0.0025000 k( 205) = ( 0.0186146 0.0186146 0.5000000), wk = 0.0025000 k( 206) = ( 0.0093073 0.0093073 0.5000000), wk = 0.0025000 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 209) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0025000 k( 210) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025000 k( 211) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0025000 k( 212) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025000 k( 213) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0025000 k( 214) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025000 k( 215) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0025000 k( 216) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025000 k( 217) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0025000 k( 218) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025000 k( 219) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0025000 k( 220) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025000 k( 221) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 222) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025000 k( 223) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0025000 k( 224) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025000 k( 225) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0025000 k( 226) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025000 k( 227) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0025000 k( 228) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025000 k( 229) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0025000 k( 230) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025000 k( 231) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0025000 k( 232) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025000 k( 233) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0025000 k( 234) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 236) = ( -0.0096154 0.0096154 0.0000000), wk = 0.0025000 k( 237) = ( -0.0192308 0.0192308 -0.0000000), wk = 0.0025000 k( 238) = ( -0.0288462 0.0288462 0.0000000), wk = 0.0025000 k( 239) = ( -0.0384615 0.0384615 -0.0000000), wk = 0.0025000 k( 240) = ( -0.0480769 0.0480769 0.0000000), wk = 0.0025000 k( 241) = ( -0.0576923 0.0576923 0.0000000), wk = 0.0025000 k( 242) = ( -0.0673077 0.0673077 0.0000000), wk = 0.0025000 k( 243) = ( -0.0769231 0.0769231 -0.0000000), wk = 0.0025000 k( 244) = ( -0.0865385 0.0865385 -0.0000000), wk = 0.0025000 k( 245) = ( -0.0961538 0.0961538 0.0000000), wk = 0.0025000 k( 246) = ( -0.1057692 0.1057692 0.0000000), wk = 0.0025000 k( 247) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0025000 k( 248) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0025000 k( 249) = ( -0.1346154 0.1346154 0.0000000), wk = 0.0025000 k( 250) = ( -0.1442308 0.1442308 0.0000000), wk = 0.0025000 k( 251) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0025000 k( 252) = ( -0.1634615 0.1634615 0.0000000), wk = 0.0025000 k( 253) = ( -0.1730769 0.1730769 -0.0000000), wk = 0.0025000 k( 254) = ( -0.1826923 0.1826923 0.0000000), wk = 0.0025000 k( 255) = ( -0.1923077 0.1923077 0.0000000), wk = 0.0025000 k( 256) = ( -0.2019231 0.2019231 0.0000000), wk = 0.0025000 k( 257) = ( -0.2115385 0.2115385 0.0000000), wk = 0.0025000 k( 258) = ( -0.2211539 0.2211539 0.0000000), wk = 0.0025000 k( 259) = ( -0.2307692 0.2307692 0.0000000), wk = 0.0025000 k( 260) = ( -0.2403846 0.2403846 0.0000000), wk = 0.0025000 k( 261) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0025000 k( 262) = ( -0.2596154 0.2596154 -0.0000000), wk = 0.0025000 k( 263) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0025000 k( 264) = ( -0.2788462 0.2788462 0.0000000), wk = 0.0025000 k( 265) = ( -0.2884615 0.2884615 0.0000000), wk = 0.0025000 k( 266) = ( -0.2980769 0.2980769 0.0000000), wk = 0.0025000 k( 267) = ( -0.3076923 0.3076923 -0.0000000), wk = 0.0025000 k( 268) = ( -0.3173077 0.3173077 0.0000000), wk = 0.0025000 k( 269) = ( -0.3269231 0.3269231 0.0000000), wk = 0.0025000 k( 270) = ( -0.3365385 0.3365385 0.0000000), wk = 0.0025000 k( 271) = ( -0.3461538 0.3461538 0.0000000), wk = 0.0025000 k( 272) = ( -0.3557692 0.3557692 0.0000000), wk = 0.0025000 k( 273) = ( -0.3653846 0.3653846 0.0000000), wk = 0.0025000 k( 274) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0025000 k( 275) = ( -0.3846154 0.3846154 0.0000000), wk = 0.0025000 k( 276) = ( -0.3942308 0.3942308 0.0000000), wk = 0.0025000 k( 277) = ( -0.4038462 0.4038462 0.0000000), wk = 0.0025000 k( 278) = ( -0.4134615 0.4134615 0.0000000), wk = 0.0025000 k( 279) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0025000 k( 280) = ( -0.4326923 0.4326923 0.0000000), wk = 0.0025000 k( 281) = ( -0.4423077 0.4423077 0.0000000), wk = 0.0025000 k( 282) = ( -0.4519231 0.4519231 0.0000000), wk = 0.0025000 k( 283) = ( -0.4615385 0.4615385 0.0000000), wk = 0.0025000 k( 284) = ( -0.4711538 0.4711538 0.0000000), wk = 0.0025000 k( 285) = ( -0.4807692 0.4807692 0.0000000), wk = 0.0025000 k( 286) = ( -0.4903846 0.4903846 0.0000000), wk = 0.0025000 k( 287) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 288) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 289) = ( -0.4919893 0.5080107 0.0000000), wk = 0.0025000 k( 290) = ( -0.4839786 0.5160214 0.0000000), wk = 0.0025000 k( 291) = ( -0.4839786 0.5160214 0.0000000), wk = 0.0025000 k( 292) = ( -0.4839786 0.5160214 0.0192308), wk = 0.0025000 k( 293) = ( -0.4839786 0.5160214 0.0384615), wk = 0.0025000 k( 294) = ( -0.4839786 0.5160214 0.0576923), wk = 0.0025000 k( 295) = ( -0.4839786 0.5160214 0.0769231), wk = 0.0025000 k( 296) = ( -0.4839786 0.5160214 0.0961538), wk = 0.0025000 k( 297) = ( -0.4839786 0.5160214 0.1153846), wk = 0.0025000 k( 298) = ( -0.4839786 0.5160214 0.1346154), wk = 0.0025000 k( 299) = ( -0.4839786 0.5160214 0.1538461), wk = 0.0025000 k( 300) = ( -0.4839786 0.5160214 0.1730769), wk = 0.0025000 k( 301) = ( -0.4839786 0.5160214 0.1923077), wk = 0.0025000 k( 302) = ( -0.4839786 0.5160214 0.2115385), wk = 0.0025000 k( 303) = ( -0.4839786 0.5160214 0.2307692), wk = 0.0025000 k( 304) = ( -0.4839786 0.5160214 0.2500000), wk = 0.0025000 k( 305) = ( -0.4839786 0.5160214 0.2692308), wk = 0.0025000 k( 306) = ( -0.4839786 0.5160214 0.2884615), wk = 0.0025000 k( 307) = ( -0.4839786 0.5160214 0.3076923), wk = 0.0025000 k( 308) = ( -0.4839786 0.5160214 0.3269231), wk = 0.0025000 k( 309) = ( -0.4839786 0.5160214 0.3461538), wk = 0.0025000 k( 310) = ( -0.4839786 0.5160214 0.3653846), wk = 0.0025000 k( 311) = ( -0.4839786 0.5160214 0.3846154), wk = 0.0025000 k( 312) = ( -0.4839786 0.5160214 0.4038462), wk = 0.0025000 k( 313) = ( -0.4839786 0.5160214 0.4230769), wk = 0.0025000 k( 314) = ( -0.4839786 0.5160214 0.4423077), wk = 0.0025000 k( 315) = ( -0.4839786 0.5160214 0.4615385), wk = 0.0025000 k( 316) = ( -0.4839786 0.5160214 0.4807692), wk = 0.0025000 k( 317) = ( -0.4839786 0.5160214 0.5000000), wk = 0.0025000 k( 318) = ( -0.4839786 0.5160214 0.5000000), wk = 0.0025000 k( 319) = ( -0.4919893 0.5080107 0.5000000), wk = 0.0025000 k( 320) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 321) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 322) = ( -0.5000000 0.5000000 0.4807692), wk = 0.0025000 k( 323) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0025000 k( 324) = ( -0.5000000 0.5000000 0.4423077), wk = 0.0025000 k( 325) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0025000 k( 326) = ( -0.5000000 0.5000000 0.4038462), wk = 0.0025000 k( 327) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0025000 k( 328) = ( -0.5000000 0.5000000 0.3653846), wk = 0.0025000 k( 329) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0025000 k( 330) = ( -0.5000000 0.5000000 0.3269231), wk = 0.0025000 k( 331) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0025000 k( 332) = ( -0.5000000 0.5000000 0.2884615), wk = 0.0025000 k( 333) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0025000 k( 334) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 335) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0025000 k( 336) = ( -0.5000000 0.5000000 0.2115385), wk = 0.0025000 k( 337) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0025000 k( 338) = ( -0.5000000 0.5000000 0.1730769), wk = 0.0025000 k( 339) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0025000 k( 340) = ( -0.5000000 0.5000000 0.1346154), wk = 0.0025000 k( 341) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0025000 k( 342) = ( -0.5000000 0.5000000 0.0961538), wk = 0.0025000 k( 343) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0025000 k( 344) = ( -0.5000000 0.5000000 0.0576923), wk = 0.0025000 k( 345) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0025000 k( 346) = ( -0.5000000 0.5000000 0.0192308), wk = 0.0025000 k( 347) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 348) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 349) = ( -0.0096154 0.0096154 0.5000000), wk = 0.0025000 k( 350) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0025000 k( 351) = ( -0.0288462 0.0288462 0.5000000), wk = 0.0025000 k( 352) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0025000 k( 353) = ( -0.0480769 0.0480769 0.5000000), wk = 0.0025000 k( 354) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0025000 k( 355) = ( -0.0673077 0.0673077 0.5000000), wk = 0.0025000 k( 356) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0025000 k( 357) = ( -0.0865385 0.0865385 0.5000000), wk = 0.0025000 k( 358) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0025000 k( 359) = ( -0.1057692 0.1057692 0.5000000), wk = 0.0025000 k( 360) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0025000 k( 361) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025000 k( 362) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0025000 k( 363) = ( -0.1442308 0.1442308 0.5000000), wk = 0.0025000 k( 364) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0025000 k( 365) = ( -0.1634615 0.1634615 0.5000000), wk = 0.0025000 k( 366) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0025000 k( 367) = ( -0.1826923 0.1826923 0.5000000), wk = 0.0025000 k( 368) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0025000 k( 369) = ( -0.2019231 0.2019231 0.5000000), wk = 0.0025000 k( 370) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0025000 k( 371) = ( -0.2211539 0.2211539 0.5000000), wk = 0.0025000 k( 372) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0025000 k( 373) = ( -0.2403846 0.2403846 0.5000000), wk = 0.0025000 k( 374) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025000 k( 375) = ( -0.2596154 0.2596154 0.5000000), wk = 0.0025000 k( 376) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0025000 k( 377) = ( -0.2788462 0.2788462 0.5000000), wk = 0.0025000 k( 378) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0025000 k( 379) = ( -0.2980769 0.2980769 0.5000000), wk = 0.0025000 k( 380) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0025000 k( 381) = ( -0.3173077 0.3173077 0.5000000), wk = 0.0025000 k( 382) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0025000 k( 383) = ( -0.3365385 0.3365385 0.5000000), wk = 0.0025000 k( 384) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0025000 k( 385) = ( -0.3557692 0.3557692 0.5000000), wk = 0.0025000 k( 386) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0025000 k( 387) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025000 k( 388) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0025000 k( 389) = ( -0.3942308 0.3942308 0.5000000), wk = 0.0025000 k( 390) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0025000 k( 391) = ( -0.4134615 0.4134615 0.5000000), wk = 0.0025000 k( 392) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0025000 k( 393) = ( -0.4326923 0.4326923 0.5000000), wk = 0.0025000 k( 394) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0025000 k( 395) = ( -0.4519231 0.4519231 0.5000000), wk = 0.0025000 k( 396) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0025000 k( 397) = ( -0.4711538 0.4711538 0.5000000), wk = 0.0025000 k( 398) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0025000 k( 399) = ( -0.4903846 0.4903846 0.5000000), wk = 0.0025000 k( 400) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 73525 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32551 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 266, 44) NL pseudopotentials 0.25 Mb ( 133, 124) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 2301) G-vector shells 0.01 Mb ( 1153) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 266, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.17 Mb ( 124, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.1 secs Computing kpt #: 7 total cpu time spent up to now is 11.3 secs Computing kpt #: 8 total cpu time spent up to now is 12.6 secs Computing kpt #: 9 total cpu time spent up to now is 14.0 secs Computing kpt #: 10 total cpu time spent up to now is 15.3 secs Computing kpt #: 11 total cpu time spent up to now is 16.6 secs Computing kpt #: 12 total cpu time spent up to now is 17.9 secs Computing kpt #: 13 total cpu time spent up to now is 19.2 secs Computing kpt #: 14 total cpu time spent up to now is 20.5 secs Computing kpt #: 15 total cpu time spent up to now is 21.8 secs Computing kpt #: 16 total cpu time spent up to now is 23.1 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.0 secs Computing kpt #: 18 total cpu time spent up to now is 26.2 secs Computing kpt #: 19 total cpu time spent up to now is 27.3 secs Computing kpt #: 20 total cpu time spent up to now is 28.4 secs Computing kpt #: 21 total cpu time spent up to now is 29.4 secs Computing kpt #: 22 total cpu time spent up to now is 30.4 secs Computing kpt #: 23 total cpu time spent up to now is 31.4 secs Computing kpt #: 24 total cpu time spent up to now is 32.5 secs Computing kpt #: 25 total cpu time spent up to now is 33.6 secs Computing kpt #: 26 total cpu time spent up to now is 34.6 secs Computing kpt #: 27 total cpu time spent up to now is 35.7 secs Computing kpt #: 28 total cpu time spent up to now is 36.8 secs Computing kpt #: 29 total cpu time spent up to now is 37.9 secs Computing kpt #: 30 total cpu time spent up to now is 39.0 secs Computing kpt #: 31 total cpu time spent up to now is 40.1 secs Computing kpt #: 32 total cpu time spent up to now is 41.2 secs Computing kpt #: 33 total cpu time spent up to now is 42.3 secs Computing kpt #: 34 total cpu time spent up to now is 43.3 secs Computing kpt #: 35 total cpu time spent up to now is 44.4 secs Computing kpt #: 36 total cpu time spent up to now is 45.4 secs Computing kpt #: 37 total cpu time spent up to now is 46.5 secs Computing kpt #: 38 total cpu time spent up to now is 47.4 secs Computing kpt #: 39 total cpu time spent up to now is 48.5 secs Computing kpt #: 40 total cpu time spent up to now is 49.5 secs Computing kpt #: 41 total cpu time spent up to now is 50.5 secs Computing kpt #: 42 total cpu time spent up to now is 51.6 secs Computing kpt #: 43 total cpu time spent up to now is 52.5 secs Computing kpt #: 44 total cpu time spent up to now is 53.5 secs Computing kpt #: 45 total cpu time spent up to now is 54.4 secs Computing kpt #: 46 total cpu time spent up to now is 55.3 secs Computing kpt #: 47 total cpu time spent up to now is 56.3 secs Computing kpt #: 48 total cpu time spent up to now is 57.3 secs Computing kpt #: 49 total cpu time spent up to now is 58.3 secs Computing kpt #: 50 total cpu time spent up to now is 59.4 secs Computing kpt #: 51 total cpu time spent up to now is 60.4 secs Computing kpt #: 52 total cpu time spent up to now is 61.4 secs Computing kpt #: 53 total cpu time spent up to now is 62.4 secs Computing kpt #: 54 total cpu time spent up to now is 63.4 secs Computing kpt #: 55 total cpu time spent up to now is 64.4 secs Computing kpt #: 56 total cpu time spent up to now is 65.4 secs Computing kpt #: 57 total cpu time spent up to now is 66.3 secs Computing kpt #: 58 total cpu time spent up to now is 67.2 secs Computing kpt #: 59 total cpu time spent up to now is 68.3 secs Computing kpt #: 60 total cpu time spent up to now is 69.2 secs Computing kpt #: 61 total cpu time spent up to now is 70.3 secs Computing kpt #: 62 total cpu time spent up to now is 71.3 secs Computing kpt #: 63 total cpu time spent up to now is 72.4 secs Computing kpt #: 64 total cpu time spent up to now is 73.6 secs Computing kpt #: 65 total cpu time spent up to now is 74.7 secs Computing kpt #: 66 total cpu time spent up to now is 75.8 secs Computing kpt #: 67 total cpu time spent up to now is 77.0 secs Computing kpt #: 68 total cpu time spent up to now is 78.1 secs Computing kpt #: 69 total cpu time spent up to now is 79.2 secs Computing kpt #: 70 total cpu time spent up to now is 80.4 secs Computing kpt #: 71 total cpu time spent up to now is 81.5 secs Computing kpt #: 72 total cpu time spent up to now is 82.7 secs Computing kpt #: 73 total cpu time spent up to now is 83.9 secs Computing kpt #: 74 total cpu time spent up to now is 85.1 secs Computing kpt #: 75 total cpu time spent up to now is 86.2 secs Computing kpt #: 76 total cpu time spent up to now is 87.4 secs Computing kpt #: 77 total cpu time spent up to now is 88.6 secs Computing kpt #: 78 total cpu time spent up to now is 89.8 secs Computing kpt #: 79 total cpu time spent up to now is 91.0 secs Computing kpt #: 80 total cpu time spent up to now is 92.1 secs Computing kpt #: 81 total cpu time spent up to now is 93.3 secs Computing kpt #: 82 total cpu time spent up to now is 94.4 secs Computing kpt #: 83 total cpu time spent up to now is 95.5 secs Computing kpt #: 84 total cpu time spent up to now is 96.5 secs Computing kpt #: 85 total cpu time spent up to now is 97.5 secs Computing kpt #: 86 total cpu time spent up to now is 98.4 secs Computing kpt #: 87 total cpu time spent up to now is 99.3 secs Computing kpt #: 88 total cpu time spent up to now is 100.2 secs Computing kpt #: 89 total cpu time spent up to now is 101.1 secs Computing kpt #: 90 total cpu time spent up to now is 102.0 secs Computing kpt #: 91 total cpu time spent up to now is 102.9 secs Computing kpt #: 92 total cpu time spent up to now is 103.8 secs Computing kpt #: 93 total cpu time spent up to now is 104.7 secs Computing kpt #: 94 total cpu time spent up to now is 105.6 secs Computing kpt #: 95 total cpu time spent up to now is 106.5 secs Computing kpt #: 96 total cpu time spent up to now is 107.4 secs Computing kpt #: 97 total cpu time spent up to now is 108.3 secs Computing kpt #: 98 total cpu time spent up to now is 109.1 secs Computing kpt #: 99 total cpu time spent up to now is 110.0 secs Computing kpt #: 100 total cpu time spent up to now is 110.9 secs Computing kpt #: 101 total cpu time spent up to now is 111.8 secs Computing kpt #: 102 total cpu time spent up to now is 112.6 secs Computing kpt #: 103 total cpu time spent up to now is 113.5 secs Computing kpt #: 104 total cpu time spent up to now is 114.4 secs Computing kpt #: 105 total cpu time spent up to now is 115.3 secs Computing kpt #: 106 total cpu time spent up to now is 116.2 secs Computing kpt #: 107 total cpu time spent up to now is 117.0 secs Computing kpt #: 108 total cpu time spent up to now is 117.9 secs Computing kpt #: 109 total cpu time spent up to now is 118.8 secs Computing kpt #: 110 total cpu time spent up to now is 119.7 secs Computing kpt #: 111 total cpu time spent up to now is 120.5 secs Computing kpt #: 112 total cpu time spent up to now is 121.4 secs Computing kpt #: 113 total cpu time spent up to now is 122.3 secs Computing kpt #: 114 total cpu time spent up to now is 123.2 secs Computing kpt #: 115 total cpu time spent up to now is 124.0 secs Computing kpt #: 116 total cpu time spent up to now is 124.9 secs Computing kpt #: 117 total cpu time spent up to now is 125.7 secs Computing kpt #: 118 total cpu time spent up to now is 126.6 secs Computing kpt #: 119 total cpu time spent up to now is 127.5 secs Computing kpt #: 120 total cpu time spent up to now is 128.4 secs Computing kpt #: 121 total cpu time spent up to now is 129.3 secs Computing kpt #: 122 total cpu time spent up to now is 130.2 secs Computing kpt #: 123 total cpu time spent up to now is 131.1 secs Computing kpt #: 124 total cpu time spent up to now is 132.0 secs Computing kpt #: 125 total cpu time spent up to now is 132.9 secs Computing kpt #: 126 total cpu time spent up to now is 133.7 secs Computing kpt #: 127 total cpu time spent up to now is 134.6 secs Computing kpt #: 128 total cpu time spent up to now is 135.6 secs Computing kpt #: 129 total cpu time spent up to now is 136.5 secs Computing kpt #: 130 total cpu time spent up to now is 137.3 secs Computing kpt #: 131 total cpu time spent up to now is 138.2 secs Computing kpt #: 132 total cpu time spent up to now is 139.1 secs Computing kpt #: 133 total cpu time spent up to now is 140.0 secs Computing kpt #: 134 total cpu time spent up to now is 140.9 secs Computing kpt #: 135 total cpu time spent up to now is 141.7 secs Computing kpt #: 136 total cpu time spent up to now is 142.6 secs Computing kpt #: 137 total cpu time spent up to now is 143.5 secs Computing kpt #: 138 total cpu time spent up to now is 144.4 secs Computing kpt #: 139 total cpu time spent up to now is 145.3 secs Computing kpt #: 140 total cpu time spent up to now is 146.2 secs Computing kpt #: 141 total cpu time spent up to now is 147.1 secs Computing kpt #: 142 total cpu time spent up to now is 147.9 secs Computing kpt #: 143 total cpu time spent up to now is 148.8 secs Computing kpt #: 144 total cpu time spent up to now is 149.7 secs Computing kpt #: 145 total cpu time spent up to now is 150.6 secs Computing kpt #: 146 total cpu time spent up to now is 151.5 secs Computing kpt #: 147 total cpu time spent up to now is 152.3 secs Computing kpt #: 148 total cpu time spent up to now is 153.2 secs Computing kpt #: 149 total cpu time spent up to now is 154.1 secs Computing kpt #: 150 total cpu time spent up to now is 155.0 secs Computing kpt #: 151 total cpu time spent up to now is 155.9 secs Computing kpt #: 152 total cpu time spent up to now is 156.7 secs Computing kpt #: 153 total cpu time spent up to now is 157.6 secs Computing kpt #: 154 total cpu time spent up to now is 158.5 secs Computing kpt #: 155 total cpu time spent up to now is 159.4 secs Computing kpt #: 156 total cpu time spent up to now is 160.2 secs Computing kpt #: 157 total cpu time spent up to now is 161.1 secs Computing kpt #: 158 total cpu time spent up to now is 162.0 secs Computing kpt #: 159 total cpu time spent up to now is 162.9 secs Computing kpt #: 160 total cpu time spent up to now is 163.7 secs Computing kpt #: 161 total cpu time spent up to now is 164.6 secs Computing kpt #: 162 total cpu time spent up to now is 165.5 secs Computing kpt #: 163 total cpu time spent up to now is 166.4 secs Computing kpt #: 164 total cpu time spent up to now is 167.3 secs Computing kpt #: 165 total cpu time spent up to now is 168.1 secs Computing kpt #: 166 total cpu time spent up to now is 169.0 secs Computing kpt #: 167 total cpu time spent up to now is 169.9 secs Computing kpt #: 168 total cpu time spent up to now is 170.8 secs Computing kpt #: 169 total cpu time spent up to now is 171.7 secs Computing kpt #: 170 total cpu time spent up to now is 172.6 secs Computing kpt #: 171 total cpu time spent up to now is 173.6 secs Computing kpt #: 172 total cpu time spent up to now is 174.4 secs Computing kpt #: 173 total cpu time spent up to now is 175.3 secs Computing kpt #: 174 total cpu time spent up to now is 176.3 secs Computing kpt #: 175 total cpu time spent up to now is 177.2 secs Computing kpt #: 176 total cpu time spent up to now is 178.1 secs Computing kpt #: 177 total cpu time spent up to now is 179.0 secs Computing kpt #: 178 total cpu time spent up to now is 179.9 secs Computing kpt #: 179 total cpu time spent up to now is 180.8 secs Computing kpt #: 180 total cpu time spent up to now is 181.7 secs Computing kpt #: 181 total cpu time spent up to now is 182.6 secs Computing kpt #: 182 total cpu time spent up to now is 183.5 secs Computing kpt #: 183 total cpu time spent up to now is 184.4 secs Computing kpt #: 184 total cpu time spent up to now is 185.3 secs Computing kpt #: 185 total cpu time spent up to now is 186.2 secs Computing kpt #: 186 total cpu time spent up to now is 187.1 secs Computing kpt #: 187 total cpu time spent up to now is 188.1 secs Computing kpt #: 188 total cpu time spent up to now is 189.0 secs Computing kpt #: 189 total cpu time spent up to now is 189.9 secs Computing kpt #: 190 total cpu time spent up to now is 190.9 secs Computing kpt #: 191 total cpu time spent up to now is 191.8 secs Computing kpt #: 192 total cpu time spent up to now is 192.7 secs Computing kpt #: 193 total cpu time spent up to now is 193.7 secs Computing kpt #: 194 total cpu time spent up to now is 194.6 secs Computing kpt #: 195 total cpu time spent up to now is 195.6 secs Computing kpt #: 196 total cpu time spent up to now is 196.6 secs Computing kpt #: 197 total cpu time spent up to now is 197.5 secs Computing kpt #: 198 total cpu time spent up to now is 198.5 secs Computing kpt #: 199 total cpu time spent up to now is 199.4 secs Computing kpt #: 200 total cpu time spent up to now is 200.4 secs Computing kpt #: 201 total cpu time spent up to now is 201.3 secs Computing kpt #: 202 total cpu time spent up to now is 202.3 secs Computing kpt #: 203 total cpu time spent up to now is 203.2 secs Computing kpt #: 204 total cpu time spent up to now is 204.1 secs Computing kpt #: 205 total cpu time spent up to now is 205.1 secs Computing kpt #: 206 total cpu time spent up to now is 206.1 secs Computing kpt #: 207 total cpu time spent up to now is 207.1 secs Computing kpt #: 208 total cpu time spent up to now is 208.0 secs Computing kpt #: 209 total cpu time spent up to now is 209.0 secs Computing kpt #: 210 total cpu time spent up to now is 210.0 secs Computing kpt #: 211 total cpu time spent up to now is 211.1 secs Computing kpt #: 212 total cpu time spent up to now is 212.1 secs Computing kpt #: 213 total cpu time spent up to now is 213.2 secs Computing kpt #: 214 total cpu time spent up to now is 214.3 secs Computing kpt #: 215 total cpu time spent up to now is 215.6 secs Computing kpt #: 216 total cpu time spent up to now is 216.9 secs Computing kpt #: 217 total cpu time spent up to now is 218.1 secs Computing kpt #: 218 total cpu time spent up to now is 219.5 secs Computing kpt #: 219 total cpu time spent up to now is 220.8 secs Computing kpt #: 220 total cpu time spent up to now is 222.1 secs Computing kpt #: 221 total cpu time spent up to now is 223.4 secs Computing kpt #: 222 total cpu time spent up to now is 224.6 secs Computing kpt #: 223 total cpu time spent up to now is 225.9 secs Computing kpt #: 224 total cpu time spent up to now is 227.3 secs Computing kpt #: 225 total cpu time spent up to now is 228.5 secs Computing kpt #: 226 total cpu time spent up to now is 229.8 secs Computing kpt #: 227 total cpu time spent up to now is 231.1 secs Computing kpt #: 228 total cpu time spent up to now is 232.4 secs Computing kpt #: 229 total cpu time spent up to now is 233.7 secs Computing kpt #: 230 total cpu time spent up to now is 235.0 secs Computing kpt #: 231 total cpu time spent up to now is 236.2 secs Computing kpt #: 232 total cpu time spent up to now is 237.5 secs Computing kpt #: 233 total cpu time spent up to now is 238.8 secs Computing kpt #: 234 total cpu time spent up to now is 240.0 secs Computing kpt #: 235 total cpu time spent up to now is 241.3 secs Computing kpt #: 236 total cpu time spent up to now is 242.5 secs Computing kpt #: 237 total cpu time spent up to now is 243.8 secs Computing kpt #: 238 total cpu time spent up to now is 245.1 secs Computing kpt #: 239 total cpu time spent up to now is 246.3 secs Computing kpt #: 240 total cpu time spent up to now is 247.6 secs Computing kpt #: 241 total cpu time spent up to now is 248.8 secs Computing kpt #: 242 total cpu time spent up to now is 250.1 secs Computing kpt #: 243 total cpu time spent up to now is 251.4 secs Computing kpt #: 244 total cpu time spent up to now is 252.7 secs Computing kpt #: 245 total cpu time spent up to now is 254.0 secs Computing kpt #: 246 total cpu time spent up to now is 255.3 secs Computing kpt #: 247 total cpu time spent up to now is 256.6 secs Computing kpt #: 248 total cpu time spent up to now is 258.0 secs Computing kpt #: 249 total cpu time spent up to now is 259.4 secs Computing kpt #: 250 total cpu time spent up to now is 260.7 secs Computing kpt #: 251 total cpu time spent up to now is 262.1 secs Computing kpt #: 252 total cpu time spent up to now is 263.4 secs Computing kpt #: 253 total cpu time spent up to now is 264.8 secs Computing kpt #: 254 total cpu time spent up to now is 266.4 secs Computing kpt #: 255 total cpu time spent up to now is 267.8 secs Computing kpt #: 256 total cpu time spent up to now is 269.2 secs Computing kpt #: 257 total cpu time spent up to now is 270.7 secs Computing kpt #: 258 total cpu time spent up to now is 272.2 secs Computing kpt #: 259 total cpu time spent up to now is 273.9 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.6 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.3 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.1 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.8 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.4 secs Computing kpt #: 265 total cpu time spent up to now is 286.4 secs Computing kpt #: 266 total cpu time spent up to now is 287.9 secs Computing kpt #: 267 total cpu time spent up to now is 289.3 secs Computing kpt #: 268 total cpu time spent up to now is 290.6 secs Computing kpt #: 269 total cpu time spent up to now is 291.9 secs Computing kpt #: 270 total cpu time spent up to now is 293.3 secs Computing kpt #: 271 total cpu time spent up to now is 294.6 secs Computing kpt #: 272 total cpu time spent up to now is 295.9 secs Computing kpt #: 273 total cpu time spent up to now is 297.1 secs Computing kpt #: 274 total cpu time spent up to now is 298.4 secs Computing kpt #: 275 total cpu time spent up to now is 299.6 secs Computing kpt #: 276 total cpu time spent up to now is 300.8 secs Computing kpt #: 277 total cpu time spent up to now is 302.0 secs Computing kpt #: 278 total cpu time spent up to now is 303.1 secs Computing kpt #: 279 total cpu time spent up to now is 304.2 secs Computing kpt #: 280 total cpu time spent up to now is 305.2 secs Computing kpt #: 281 total cpu time spent up to now is 306.3 secs Computing kpt #: 282 total cpu time spent up to now is 307.3 secs Computing kpt #: 283 total cpu time spent up to now is 308.2 secs Computing kpt #: 284 total cpu time spent up to now is 309.2 secs Computing kpt #: 285 total cpu time spent up to now is 310.1 secs Computing kpt #: 286 total cpu time spent up to now is 311.1 secs Computing kpt #: 287 total cpu time spent up to now is 312.0 secs Computing kpt #: 288 total cpu time spent up to now is 313.0 secs Computing kpt #: 289 total cpu time spent up to now is 314.1 secs Computing kpt #: 290 total cpu time spent up to now is 315.1 secs Computing kpt #: 291 total cpu time spent up to now is 316.1 secs Computing kpt #: 292 total cpu time spent up to now is 317.1 secs Computing kpt #: 293 total cpu time spent up to now is 318.2 secs Computing kpt #: 294 total cpu time spent up to now is 319.2 secs Computing kpt #: 295 total cpu time spent up to now is 320.3 secs Computing kpt #: 296 total cpu time spent up to now is 321.4 secs Computing kpt #: 297 total cpu time spent up to now is 322.5 secs Computing kpt #: 298 total cpu time spent up to now is 323.7 secs Computing kpt #: 299 total cpu time spent up to now is 324.9 secs Computing kpt #: 300 total cpu time spent up to now is 326.1 secs Computing kpt #: 301 total cpu time spent up to now is 327.4 secs Computing kpt #: 302 total cpu time spent up to now is 328.6 secs Computing kpt #: 303 total cpu time spent up to now is 330.0 secs Computing kpt #: 304 total cpu time spent up to now is 331.3 secs Computing kpt #: 305 total cpu time spent up to now is 332.8 secs Computing kpt #: 306 total cpu time spent up to now is 334.3 secs Computing kpt #: 307 total cpu time spent up to now is 336.1 secs Computing kpt #: 308 total cpu time spent up to now is 337.5 secs Computing kpt #: 309 total cpu time spent up to now is 338.8 secs Computing kpt #: 310 total cpu time spent up to now is 339.7 secs Computing kpt #: 311 total cpu time spent up to now is 340.7 secs Computing kpt #: 312 total cpu time spent up to now is 341.6 secs Computing kpt #: 313 total cpu time spent up to now is 342.5 secs Computing kpt #: 314 total cpu time spent up to now is 343.3 secs Computing kpt #: 315 total cpu time spent up to now is 344.2 secs Computing kpt #: 316 total cpu time spent up to now is 345.2 secs Computing kpt #: 317 total cpu time spent up to now is 346.0 secs Computing kpt #: 318 total cpu time spent up to now is 346.9 secs Computing kpt #: 319 total cpu time spent up to now is 347.8 secs Computing kpt #: 320 total cpu time spent up to now is 348.7 secs Computing kpt #: 321 total cpu time spent up to now is 349.5 secs Computing kpt #: 322 total cpu time spent up to now is 350.4 secs Computing kpt #: 323 total cpu time spent up to now is 351.3 secs Computing kpt #: 324 total cpu time spent up to now is 352.2 secs Computing kpt #: 325 total cpu time spent up to now is 353.1 secs Computing kpt #: 326 total cpu time spent up to now is 354.0 secs Computing kpt #: 327 total cpu time spent up to now is 354.8 secs Computing kpt #: 328 total cpu time spent up to now is 355.8 secs Computing kpt #: 329 total cpu time spent up to now is 356.9 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 358.7 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.5 secs Computing kpt #: 332 total cpu time spent up to now is 362.0 secs Computing kpt #: 333 total cpu time spent up to now is 363.5 secs Computing kpt #: 334 total cpu time spent up to now is 364.8 secs Computing kpt #: 335 total cpu time spent up to now is 366.1 secs Computing kpt #: 336 total cpu time spent up to now is 367.4 secs Computing kpt #: 337 total cpu time spent up to now is 368.6 secs Computing kpt #: 338 total cpu time spent up to now is 369.8 secs Computing kpt #: 339 total cpu time spent up to now is 370.9 secs Computing kpt #: 340 total cpu time spent up to now is 372.0 secs Computing kpt #: 341 total cpu time spent up to now is 373.0 secs Computing kpt #: 342 total cpu time spent up to now is 374.1 secs Computing kpt #: 343 total cpu time spent up to now is 375.2 secs Computing kpt #: 344 total cpu time spent up to now is 376.2 secs Computing kpt #: 345 total cpu time spent up to now is 377.2 secs Computing kpt #: 346 total cpu time spent up to now is 378.2 secs Computing kpt #: 347 total cpu time spent up to now is 379.3 secs Computing kpt #: 348 total cpu time spent up to now is 380.2 secs Computing kpt #: 349 total cpu time spent up to now is 381.2 secs Computing kpt #: 350 total cpu time spent up to now is 382.2 secs Computing kpt #: 351 total cpu time spent up to now is 383.1 secs Computing kpt #: 352 total cpu time spent up to now is 384.1 secs Computing kpt #: 353 total cpu time spent up to now is 385.0 secs Computing kpt #: 354 total cpu time spent up to now is 386.0 secs Computing kpt #: 355 total cpu time spent up to now is 386.9 secs Computing kpt #: 356 total cpu time spent up to now is 387.8 secs Computing kpt #: 357 total cpu time spent up to now is 388.7 secs Computing kpt #: 358 total cpu time spent up to now is 389.7 secs Computing kpt #: 359 total cpu time spent up to now is 390.6 secs Computing kpt #: 360 total cpu time spent up to now is 391.5 secs Computing kpt #: 361 total cpu time spent up to now is 392.4 secs Computing kpt #: 362 total cpu time spent up to now is 393.3 secs Computing kpt #: 363 total cpu time spent up to now is 394.2 secs Computing kpt #: 364 total cpu time spent up to now is 395.2 secs Computing kpt #: 365 total cpu time spent up to now is 396.0 secs Computing kpt #: 366 total cpu time spent up to now is 397.0 secs Computing kpt #: 367 total cpu time spent up to now is 397.9 secs Computing kpt #: 368 total cpu time spent up to now is 398.8 secs Computing kpt #: 369 total cpu time spent up to now is 399.7 secs Computing kpt #: 370 total cpu time spent up to now is 400.6 secs Computing kpt #: 371 total cpu time spent up to now is 401.5 secs Computing kpt #: 372 total cpu time spent up to now is 402.4 secs Computing kpt #: 373 total cpu time spent up to now is 403.3 secs Computing kpt #: 374 total cpu time spent up to now is 404.2 secs Computing kpt #: 375 total cpu time spent up to now is 405.1 secs Computing kpt #: 376 total cpu time spent up to now is 406.0 secs Computing kpt #: 377 total cpu time spent up to now is 406.9 secs Computing kpt #: 378 total cpu time spent up to now is 407.8 secs Computing kpt #: 379 total cpu time spent up to now is 408.8 secs Computing kpt #: 380 total cpu time spent up to now is 409.7 secs Computing kpt #: 381 total cpu time spent up to now is 410.5 secs Computing kpt #: 382 total cpu time spent up to now is 411.4 secs Computing kpt #: 383 total cpu time spent up to now is 412.3 secs Computing kpt #: 384 total cpu time spent up to now is 413.2 secs Computing kpt #: 385 total cpu time spent up to now is 414.1 secs Computing kpt #: 386 total cpu time spent up to now is 414.9 secs Computing kpt #: 387 total cpu time spent up to now is 415.8 secs Computing kpt #: 388 total cpu time spent up to now is 416.7 secs Computing kpt #: 389 total cpu time spent up to now is 417.6 secs Computing kpt #: 390 total cpu time spent up to now is 418.4 secs Computing kpt #: 391 total cpu time spent up to now is 419.3 secs Computing kpt #: 392 total cpu time spent up to now is 420.2 secs Computing kpt #: 393 total cpu time spent up to now is 421.1 secs Computing kpt #: 394 total cpu time spent up to now is 421.9 secs Computing kpt #: 395 total cpu time spent up to now is 422.9 secs Computing kpt #: 396 total cpu time spent up to now is 423.7 secs Computing kpt #: 397 total cpu time spent up to now is 424.6 secs Computing kpt #: 398 total cpu time spent up to now is 425.5 secs Computing kpt #: 399 total cpu time spent up to now is 426.3 secs Computing kpt #: 400 total cpu time spent up to now is 427.2 secs ethr = 2.78E-11, avg # of iterations = 46.3 total cpu time spent up to now is 427.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4089 PWs) bands (ev): -21.7123 -21.7123 -21.5336 -21.5336 -19.1477 -19.1477 -19.0850 -19.0850 -8.3201 -8.3201 -7.8143 -7.8143 -5.3232 -5.3232 -5.0662 -5.0662 -4.7504 -4.7504 -4.6313 -4.6313 -4.5127 -4.5127 -4.2739 -4.2739 -2.4603 -2.4603 -1.7569 -1.7569 -1.4921 -1.4921 -1.2604 -1.2604 -1.1039 -1.1039 -0.5590 -0.5590 2.8643 2.8643 3.2274 3.2274 7.0462 7.0462 8.3691 8.3691 k = 0.0093 0.0096-0.0000 ( 4085 PWs) bands (ev): -21.7122 -21.7122 -21.5337 -21.5337 -19.1477 -19.1477 -19.0851 -19.0851 -8.3203 -8.3203 -7.8152 -7.8151 -5.3232 -5.3219 -5.0660 -5.0658 -4.7517 -4.7513 -4.6386 -4.6308 -4.5136 -4.5060 -4.2736 -4.2725 -2.4593 -2.4592 -1.7574 -1.7574 -1.4925 -1.4923 -1.2638 -1.2617 -1.1022 -1.0998 -0.5585 -0.5584 2.8647 2.8647 3.2275 3.2278 7.0479 7.0480 8.3681 8.3688 k = 0.0186 0.0192-0.0000 ( 4085 PWs) bands (ev): -21.7118 -21.7117 -21.5339 -21.5339 -19.1478 -19.1478 -19.0851 -19.0851 -8.3211 -8.3211 -7.8176 -7.8174 -5.3219 -5.3192 -5.0653 -5.0649 -4.7553 -4.7544 -4.6509 -4.6371 -4.5086 -4.4952 -4.2715 -4.2693 -2.4565 -2.4563 -1.7587 -1.7587 -1.4933 -1.4929 -1.2712 -1.2673 -1.0952 -1.0907 -0.5571 -0.5569 2.8659 2.8660 3.2281 3.2287 7.0531 7.0532 8.3661 8.3675 k = 0.0279 0.0289-0.0000 ( 4085 PWs) bands (ev): -21.7110 -21.7110 -21.5342 -21.5342 -19.1479 -19.1478 -19.0853 -19.0853 -8.3224 -8.3223 -7.8217 -7.8213 -5.3193 -5.3152 -5.0640 -5.0635 -4.7609 -4.7595 -4.6663 -4.6488 -4.4991 -4.4822 -4.2677 -4.2646 -2.4517 -2.4514 -1.7609 -1.7609 -1.4946 -1.4939 -1.2813 -1.2762 -1.0839 -1.0778 -0.5547 -0.5545 2.8679 2.8680 3.2292 3.2301 7.0616 7.0618 8.3630 8.3651 k = 0.0372 0.0385-0.0000 ( 4089 PWs) bands (ev): -21.7100 -21.7100 -21.5346 -21.5346 -19.1480 -19.1479 -19.0854 -19.0854 -8.3242 -8.3241 -7.8272 -7.8268 -5.3156 -5.3101 -5.0621 -5.0615 -4.7683 -4.7663 -4.6839 -4.6640 -4.4871 -4.4680 -4.2626 -4.2585 -2.4450 -2.4446 -1.7641 -1.7640 -1.4963 -1.4955 -1.2932 -1.2872 -1.0693 -1.0621 -0.5513 -0.5510 2.8707 2.8708 3.2309 3.2320 7.0735 7.0738 8.3589 8.3617 k = 0.0465 0.0481-0.0000 ( 4079 PWs) bands (ev): -21.7088 -21.7087 -21.5351 -21.5351 -19.1482 -19.1481 -19.0856 -19.0856 -8.3264 -8.3263 -7.8343 -7.8338 -5.3108 -5.3038 -5.0597 -5.0589 -4.7772 -4.7746 -4.7026 -4.6813 -4.4739 -4.4535 -4.2564 -4.2513 -2.4364 -2.4359 -1.7681 -1.7681 -1.4984 -1.4974 -1.3059 -1.2993 -1.0525 -1.0444 -0.5470 -0.5466 2.8743 2.8745 3.2331 3.2345 7.0887 7.0890 8.3539 8.3574 k = 0.0558 0.0577-0.0000 ( 4085 PWs) bands (ev): -21.7072 -21.7071 -21.5358 -21.5358 -19.1484 -19.1482 -19.0859 -19.0859 -8.3292 -8.3291 -7.8428 -7.8422 -5.3051 -5.2966 -5.0569 -5.0559 -4.7873 -4.7838 -4.7222 -4.6999 -4.4602 -4.4391 -4.2493 -4.2434 -2.4261 -2.4255 -1.7731 -1.7730 -1.5009 -1.4997 -1.3188 -1.3119 -1.0341 -1.0254 -0.5418 -0.5413 2.8788 2.8790 3.2358 3.2375 7.1069 7.1073 8.3482 8.3523 k = 0.0652 0.0673-0.0000 ( 4085 PWs) bands (ev): -21.7054 -21.7053 -21.5365 -21.5365 -19.1486 -19.1484 -19.0862 -19.0862 -8.3324 -8.3322 -7.8527 -7.8520 -5.2987 -5.2886 -5.0535 -5.0523 -4.7980 -4.7937 -4.7423 -4.7193 -4.4465 -4.4250 -4.2417 -4.2349 -2.4140 -2.4133 -1.7790 -1.7789 -1.5037 -1.5023 -1.3315 -1.3243 -1.0145 -1.0054 -0.5356 -0.5351 2.8841 2.8843 3.2391 3.2410 7.1281 7.1286 8.3419 8.3466 k = 0.0745 0.0770-0.0000 ( 4085 PWs) bands (ev): -21.7033 -21.7032 -21.5374 -21.5374 -19.1488 -19.1487 -19.0865 -19.0865 -8.3360 -8.3359 -7.8639 -7.8631 -5.2918 -5.2802 -5.0496 -5.0484 -4.8091 -4.8037 -4.7626 -4.7391 -4.4333 -4.4114 -4.2339 -4.2263 -2.4002 -2.3995 -1.7859 -1.7857 -1.5068 -1.5052 -1.3437 -1.3364 -0.9941 -0.9846 -0.5286 -0.5280 2.8902 2.8905 3.2430 3.2452 7.1520 7.1528 8.3351 8.3405 k = 0.0838 0.0866-0.0000 ( 4085 PWs) bands (ev): -21.7009 -21.7008 -21.5384 -21.5384 -19.1491 -19.1489 -19.0869 -19.0869 -8.3401 -8.3400 -7.8763 -7.8754 -5.2848 -5.2715 -5.0454 -5.0440 -4.8199 -4.8134 -4.7830 -4.7591 -4.4206 -4.3985 -4.2261 -4.2178 -2.3849 -2.3842 -1.7938 -1.7935 -1.5101 -1.5083 -1.3552 -1.3477 -0.9730 -0.9632 -0.5207 -0.5200 2.8971 2.8974 3.2475 3.2500 7.1786 7.1795 8.3281 8.3342 k = 0.0931 0.0962-0.0000 ( 4081 PWs) bands (ev): -21.6983 -21.6982 -21.5395 -21.5394 -19.1494 -19.1492 -19.0873 -19.0873 -8.3446 -8.3444 -7.8898 -7.8888 -5.2779 -5.2629 -5.0408 -5.0392 -4.8302 -4.8224 -4.8033 -4.7789 -4.4086 -4.3864 -4.2187 -4.2096 -2.3681 -2.3673 -1.8026 -1.8022 -1.5136 -1.5117 -1.3657 -1.3581 -0.9514 -0.9414 -0.5120 -0.5112 2.9049 2.9052 3.2527 3.2553 7.2075 7.2086 8.3211 8.3279 k = 0.1024 0.1058-0.0000 ( 4081 PWs) bands (ev): -21.6954 -21.6953 -21.5407 -21.5406 -19.1498 -19.1496 -19.0878 -19.0878 -8.3495 -8.3493 -7.9044 -7.9034 -5.2714 -5.2548 -5.0359 -5.0343 -4.8395 -4.8303 -4.8232 -4.7984 -4.3974 -4.3752 -4.2117 -4.2020 -2.3498 -2.3490 -1.8124 -1.8119 -1.5173 -1.5151 -1.3752 -1.3675 -0.9294 -0.9192 -0.5025 -0.5017 2.9136 2.9139 3.2585 3.2613 7.2384 7.2399 8.3143 8.3218 k = 0.1117 0.1154-0.0000 ( 4075 PWs) bands (ev): -21.6923 -21.6922 -21.5419 -21.5419 -19.1502 -19.1499 -19.0883 -19.0882 -8.3548 -8.3546 -7.9200 -7.9189 -5.2658 -5.2476 -5.0309 -5.0292 -4.8475 -4.8428 -4.8364 -4.8171 -4.3872 -4.3649 -4.2054 -4.1951 -2.3303 -2.3295 -1.8232 -1.8226 -1.5209 -1.5186 -1.3835 -1.3757 -0.9071 -0.8966 -0.4922 -0.4913 2.9230 2.9233 3.2649 3.2680 7.2711 7.2729 8.3080 8.3161 k = 0.1210 0.1251-0.0000 ( 4071 PWs) bands (ev): -21.6890 -21.6888 -21.5433 -21.5433 -19.1506 -19.1503 -19.0888 -19.0888 -8.3604 -8.3602 -7.9364 -7.9352 -5.2612 -5.2416 -5.0259 -5.0244 -4.8612 -4.8546 -4.8407 -4.8340 -4.3779 -4.3557 -4.2001 -4.1892 -2.3096 -2.3088 -1.8349 -1.8342 -1.5246 -1.5221 -1.3905 -1.3827 -0.8845 -0.8739 -0.4812 -0.4802 2.9333 2.9336 3.2721 3.2753 7.3053 7.3074 8.3024 8.3112 k = 0.1303 0.1347-0.0000 ( 4068 PWs) bands (ev): -21.6855 -21.6853 -21.5448 -21.5447 -19.1510 -19.1507 -19.0893 -19.0893 -8.3664 -8.3661 -7.9536 -7.9523 -5.2581 -5.2372 -5.0212 -5.0200 -4.8784 -4.8631 -4.8458 -4.8427 -4.3698 -4.3475 -4.1958 -4.1843 -2.2878 -2.2870 -1.8475 -1.8467 -1.5282 -1.5256 -1.3962 -1.3883 -0.8617 -0.8509 -0.4694 -0.4685 2.9445 2.9448 3.2799 3.2833 7.3405 7.3430 8.2978 8.3073 k = 0.1396 0.1443-0.0000 ( 4064 PWs) bands (ev): -21.6817 -21.6815 -21.5463 -21.5463 -19.1515 -19.1512 -19.0899 -19.0899 -8.3726 -8.3723 -7.9714 -7.9702 -5.2567 -5.2347 -5.0172 -5.0169 -4.8937 -4.8753 -4.8496 -4.8421 -4.3627 -4.3405 -4.1926 -4.1806 -2.2651 -2.2644 -1.8611 -1.8602 -1.5316 -1.5288 -1.4005 -1.3925 -0.8386 -0.8277 -0.4570 -0.4560 2.9565 2.9568 3.2884 3.2920 7.3765 7.3794 8.2945 8.3047 k = 0.1489 0.1539-0.0000 ( 4064 PWs) bands (ev): -21.6778 -21.6776 -21.5480 -21.5479 -19.1520 -19.1516 -19.0905 -19.0905 -8.3791 -8.3788 -7.9899 -7.9886 -5.2570 -5.2342 -5.0156 -5.0145 -4.9061 -4.8880 -4.8480 -4.8387 -4.3569 -4.3347 -4.1907 -4.1782 -2.2415 -2.2408 -1.8756 -1.8746 -1.5349 -1.5319 -1.4033 -1.3954 -0.8154 -0.8044 -0.4440 -0.4429 2.9693 2.9696 3.2977 3.3014 7.4127 7.4161 8.2926 8.3029 k = 0.1582 0.1636-0.0000 ( 4060 PWs) bands (ev): -21.6736 -21.6734 -21.5497 -21.5496 -19.1525 -19.1521 -19.0911 -19.0911 -8.3859 -8.3856 -8.0088 -8.0075 -5.2590 -5.2359 -5.0174 -5.0139 -4.9147 -4.8983 -4.8426 -4.8327 -4.3522 -4.3301 -4.1902 -4.1771 -2.2172 -2.2166 -1.8909 -1.8898 -1.5378 -1.5347 -1.4048 -1.3969 -0.7919 -0.7809 -0.4304 -0.4293 2.9830 2.9832 3.3076 3.3114 7.4488 7.4527 8.2357 8.2361 k = 0.1675 0.1732-0.0000 ( 4056 PWs) bands (ev): -21.6693 -21.6691 -21.5514 -21.5514 -19.1530 -19.1527 -19.0918 -19.0918 -8.3928 -8.3925 -8.0282 -8.0268 -5.2627 -5.2395 -5.0226 -5.0162 -4.9188 -4.9051 -4.8341 -4.8241 -4.3489 -4.3267 -4.1910 -4.1774 -2.1923 -2.1918 -1.9070 -1.9058 -1.5405 -1.5372 -1.4049 -1.3969 -0.7684 -0.7573 -0.4161 -0.4150 2.9974 2.9976 3.3182 3.3222 7.4843 7.4886 8.1644 8.1647 k = 0.1768 0.1828-0.0000 ( 4052 PWs) bands (ev): -21.6649 -21.6647 -21.5532 -21.5532 -19.1536 -19.1532 -19.0924 -19.0924 -8.4000 -8.3996 -8.0478 -8.0464 -5.2679 -5.2448 -5.0313 -5.0217 -4.9186 -4.9077 -4.8229 -4.8132 -4.3468 -4.3247 -4.1932 -4.1791 -2.1669 -2.1665 -1.9238 -1.9225 -1.5427 -1.5393 -1.4036 -1.3956 -0.7447 -0.7336 -0.4014 -0.4002 3.0126 3.0128 3.3295 3.3336 7.5188 7.5236 8.0914 8.0916 k = 0.1861 0.1924-0.0000 ( 4052 PWs) bands (ev): -21.6603 -21.6601 -21.5551 -21.5551 -19.1542 -19.1538 -19.0931 -19.0931 -8.4073 -8.4069 -8.0677 -8.0663 -5.2743 -5.2515 -5.0423 -5.0300 -4.9149 -4.9066 -4.8094 -4.8001 -4.3460 -4.3239 -4.1968 -4.1823 -2.1411 -2.1408 -1.9413 -1.9399 -1.5445 -1.5409 -1.4010 -1.3930 -0.7209 -0.7098 -0.3861 -0.3849 3.0286 3.0288 3.3415 3.3457 7.5519 7.5570 8.0169 8.0171 k = 0.1955 0.2020-0.0000 ( 4052 PWs) bands (ev): -21.6556 -21.6554 -21.5571 -21.5570 -19.1548 -19.1544 -19.0938 -19.0938 -8.4147 -8.4144 -8.0878 -8.0863 -5.2818 -5.2594 -5.0548 -5.0405 -4.9089 -4.9024 -4.7939 -4.7853 -4.3466 -4.3246 -4.2019 -4.1869 -2.1151 -2.1150 -1.9594 -1.9580 -1.5458 -1.5421 -1.3970 -1.3892 -0.6970 -0.6859 -0.3704 -0.3692 3.0453 3.0455 3.3541 3.3583 7.5831 7.5887 7.9411 7.9413 k = 0.2048 0.2117-0.0000 ( 4054 PWs) bands (ev): -21.6508 -21.6505 -21.5590 -21.5590 -19.1554 -19.1551 -19.0945 -19.0945 -8.4222 -8.4219 -8.1079 -8.1064 -5.2899 -5.2681 -5.0679 -5.0521 -4.9011 -4.8961 -4.7768 -4.7690 -4.3485 -4.3265 -4.2083 -4.1928 -2.0890 -2.0890 -1.9781 -1.9766 -1.5466 -1.5427 -1.3919 -1.3841 -0.6731 -0.6620 -0.3543 -0.3530 3.0628 3.0628 3.3673 3.3716 7.6123 7.6181 7.8644 7.8645 k = 0.2141 0.2213-0.0000 ( 4054 PWs) bands (ev): -21.6459 -21.6456 -21.5611 -21.5610 -19.1561 -19.1557 -19.0952 -19.0952 -8.4298 -8.4295 -8.1281 -8.1266 -5.2985 -5.2773 -5.0810 -5.0642 -4.8923 -4.8882 -4.7585 -4.7516 -4.3517 -4.3298 -4.2161 -4.2002 -2.0630 -2.0628 -1.9972 -1.9958 -1.5468 -1.5427 -1.3856 -1.3779 -0.6491 -0.6381 -0.3377 -0.3364 3.0809 3.0809 3.3811 3.3854 7.6392 7.6452 7.7870 7.7870 k = 0.2234 0.2309-0.0000 ( 4058 PWs) bands (ev): -21.6409 -21.6406 -21.5631 -21.5630 -19.1568 -19.1564 -19.0959 -19.0959 -8.4375 -8.4371 -8.1482 -8.1467 -5.3073 -5.2868 -5.0939 -5.0764 -4.8826 -4.8792 -4.7392 -4.7333 -4.3563 -4.3344 -4.2252 -4.2088 -2.0371 -2.0368 -2.0167 -2.0153 -1.5464 -1.5421 -1.3783 -1.3707 -0.6250 -0.6141 -0.3208 -0.3194 3.0996 3.0996 3.3954 3.3998 7.6637 7.6697 7.7091 7.7091 k = 0.2327 0.2405-0.0000 ( 4070 PWs) bands (ev): -21.6358 -21.6356 -21.5652 -21.5651 -19.1575 -19.1570 -19.0966 -19.0966 -8.4452 -8.4448 -8.1681 -8.1667 -5.3162 -5.2963 -5.1063 -5.0883 -4.8725 -4.8695 -4.7193 -4.7143 -4.3622 -4.3404 -4.2354 -4.2185 -2.0367 -2.0352 -2.0114 -2.0109 -1.5454 -1.5409 -1.3700 -1.3625 -0.6010 -0.5902 -0.3035 -0.3022 3.1188 3.1189 3.4102 3.4146 7.6304 7.6305 7.6863 7.6923 k = 0.2420 0.2501-0.0000 ( 4070 PWs) bands (ev): -21.6307 -21.6305 -21.5672 -21.5672 -19.1582 -19.1577 -19.0974 -19.0973 -8.4528 -8.4524 -8.1879 -8.1865 -5.3250 -5.3056 -5.1180 -5.0996 -4.8619 -4.8593 -4.6989 -4.6951 -4.3694 -4.3476 -4.2468 -4.2294 -2.0568 -2.0554 -1.9860 -1.9853 -1.5437 -1.5391 -1.3609 -1.3534 -0.5770 -0.5664 -0.2860 -0.2846 3.1385 3.1387 3.4254 3.4298 7.5521 7.5522 7.7063 7.7121 k = 0.2513 0.2598-0.0000 ( 4076 PWs) bands (ev): -21.6256 -21.6253 -21.5693 -21.5693 -19.1589 -19.1585 -19.0981 -19.0980 -8.4604 -8.4601 -8.2075 -8.2060 -5.3334 -5.3147 -5.1290 -5.1103 -4.8511 -4.8487 -4.6785 -4.6757 -4.3778 -4.3562 -4.2592 -4.2412 -2.0772 -2.0757 -1.9610 -1.9602 -1.5414 -1.5366 -1.3509 -1.3436 -0.5531 -0.5426 -0.2682 -0.2668 3.1588 3.1589 3.4410 3.4454 7.4738 7.4740 7.7244 7.7299 k = 0.2606 0.2694-0.0000 ( 4074 PWs) bands (ev): -21.6205 -21.6202 -21.5714 -21.5714 -19.1596 -19.1592 -19.0988 -19.0987 -8.4680 -8.4676 -8.2267 -8.2253 -5.3415 -5.3234 -5.1390 -5.1202 -4.8401 -4.8380 -4.6581 -4.6564 -4.3875 -4.3659 -4.2724 -4.2539 -2.0976 -2.0962 -1.9365 -1.9354 -1.5385 -1.5335 -1.3403 -1.3332 -0.5293 -0.5190 -0.2502 -0.2488 3.1794 3.1796 3.4569 3.4613 7.3960 7.3962 7.7408 7.7460 k = 0.2699 0.2790-0.0000 ( 4066 PWs) bands (ev): -21.6153 -21.6151 -21.5735 -21.5734 -19.1603 -19.1599 -19.0995 -19.0994 -8.4755 -8.4751 -8.2456 -8.2442 -5.3491 -5.3315 -5.1482 -5.1292 -4.8290 -4.8271 -4.6380 -4.6375 -4.3983 -4.3769 -4.2863 -4.2672 -2.1182 -2.1168 -1.9126 -1.9113 -1.5349 -1.5297 -1.3291 -1.3222 -0.5056 -0.4955 -0.2320 -0.2306 3.2003 3.2006 3.4730 3.4774 7.3188 7.3190 7.7557 7.7605 k = 0.2792 0.2886-0.0000 ( 4082 PWs) bands (ev): -21.6102 -21.6100 -21.5756 -21.5755 -19.1610 -19.1606 -19.1002 -19.1001 -8.4828 -8.4824 -8.2641 -8.2628 -5.3561 -5.3391 -5.1563 -5.1373 -4.8180 -4.8161 -4.6192 -4.6185 -4.4103 -4.3890 -4.3007 -4.2809 -2.1386 -2.1373 -1.8893 -1.8878 -1.5308 -1.5254 -1.3175 -1.3107 -0.4821 -0.4723 -0.2138 -0.2124 3.2214 3.2218 3.4894 3.4937 7.2424 7.2427 7.7694 7.7739 k = 0.2885 0.2982-0.0000 ( 4062 PWs) bands (ev): -21.6052 -21.6049 -21.5776 -21.5776 -19.1618 -19.1614 -19.1008 -19.1008 -8.4901 -8.4897 -8.2822 -8.2809 -5.3625 -5.3460 -5.1634 -5.1444 -4.8071 -4.8053 -4.6018 -4.5997 -4.4234 -4.4021 -4.3153 -4.2947 -2.1590 -2.1577 -1.8666 -1.8649 -1.5260 -1.5206 -1.3055 -1.2989 -0.4589 -0.4493 -0.1955 -0.1940 3.2428 3.2432 3.5058 3.5101 7.1671 7.1674 7.7822 7.7863 k = 0.2978 0.3079-0.0000 ( 4056 PWs) bands (ev): -21.6002 -21.5999 -21.5796 -21.5796 -19.1625 -19.1621 -19.1015 -19.1014 -8.4971 -8.4967 -8.2998 -8.2985 -5.3682 -5.3523 -5.1695 -5.1506 -4.7962 -4.7945 -4.5855 -4.5821 -4.4374 -4.4162 -4.3298 -4.3085 -2.1792 -2.1779 -1.8447 -1.8428 -1.5208 -1.5152 -1.2932 -1.2869 -0.4359 -0.4266 -0.1772 -0.1757 3.2642 3.2646 3.5223 3.5265 7.0931 7.0934 7.7944 7.7980 k = 0.3071 0.3175-0.0000 ( 4056 PWs) bands (ev): -21.5953 -21.5950 -21.5816 -21.5816 -19.1632 -19.1628 -19.1021 -19.1021 -8.5040 -8.5036 -8.3169 -8.3156 -5.3731 -5.3578 -5.1745 -5.1556 -4.7856 -4.7839 -4.5708 -4.5660 -4.4523 -4.4313 -4.3438 -4.3216 -2.1991 -2.1979 -1.8235 -1.8215 -1.5151 -1.5094 -1.2808 -1.2747 -0.4134 -0.4044 -0.1589 -0.1575 3.2856 3.2861 3.5387 3.5428 7.0206 7.0210 7.8060 7.8092 k = 0.3164 0.3271-0.0000 ( 4064 PWs) bands (ev): -21.5904 -21.5902 -21.5836 -21.5835 -19.1639 -19.1635 -19.1027 -19.1027 -8.5107 -8.5103 -8.3334 -8.3321 -5.3773 -5.3625 -5.1784 -5.1597 -4.7752 -4.7736 -4.5583 -4.5520 -4.4681 -4.4471 -4.3566 -4.3336 -2.2187 -2.2175 -1.8032 -1.8010 -1.5090 -1.5033 -1.2683 -1.2624 -0.3912 -0.3825 -0.1409 -0.1395 3.3069 3.3074 3.5550 3.5590 6.9499 6.9503 7.8173 7.8201 k = 0.3258 0.3367-0.0000 ( 4066 PWs) bands (ev): -21.5857 -21.5855 -21.5855 -21.5854 -19.1646 -19.1642 -19.1033 -19.1033 -8.5172 -8.5168 -8.3492 -8.3480 -5.3808 -5.3665 -5.1813 -5.1627 -4.7652 -4.7635 -4.5484 -4.5409 -4.4846 -4.4637 -4.3675 -4.3439 -2.2379 -2.2367 -1.7837 -1.7813 -1.5026 -1.4968 -1.2559 -1.2502 -0.3696 -0.3612 -0.1230 -0.1216 3.3279 3.3285 3.5711 3.5750 6.8811 6.8815 7.8284 7.8308 k = 0.3351 0.3463-0.0000 ( 4066 PWs) bands (ev): -21.5873 -21.5873 -21.5812 -21.5809 -19.1653 -19.1649 -19.1039 -19.1039 -8.5235 -8.5231 -8.3645 -8.3633 -5.3836 -5.3698 -5.1831 -5.1646 -4.7554 -4.7537 -4.5418 -4.5336 -4.5017 -4.4809 -4.3754 -4.3518 -2.2565 -2.2555 -1.7651 -1.7625 -1.4959 -1.4901 -1.2436 -1.2381 -0.3485 -0.3405 -0.1054 -0.1040 3.3487 3.3493 3.5869 3.5907 6.8145 6.8149 7.8394 7.8414 k = 0.3444 0.3560-0.0000 ( 4058 PWs) bands (ev): -21.5891 -21.5890 -21.5767 -21.5765 -19.1660 -19.1656 -19.1045 -19.1044 -8.5295 -8.5291 -8.3791 -8.3780 -5.3856 -5.3723 -5.1838 -5.1656 -4.7460 -4.7443 -4.5391 -4.5309 -4.5193 -4.4986 -4.3796 -4.3567 -2.2747 -2.2736 -1.7473 -1.7447 -1.4890 -1.4832 -1.2314 -1.2263 -0.3280 -0.3203 -0.0881 -0.0868 3.3691 3.3697 3.6024 3.6061 6.7502 6.7506 7.8503 7.8520 k = 0.3537 0.3656-0.0000 ( 4062 PWs) bands (ev): -21.5908 -21.5908 -21.5725 -21.5722 -19.1666 -19.1663 -19.1050 -19.1050 -8.5352 -8.5349 -8.3930 -8.3919 -5.3868 -5.3741 -5.1835 -5.1655 -4.7371 -4.7353 -4.5407 -4.5377 -4.5326 -4.5165 -4.3797 -4.3583 -2.2921 -2.2912 -1.7304 -1.7277 -1.4820 -1.4763 -1.2196 -1.2147 -0.3082 -0.3009 -0.0714 -0.0701 3.3890 3.3896 3.6174 3.6210 6.6884 6.6888 7.8611 7.8626 k = 0.3630 0.3752-0.0000 ( 4066 PWs) bands (ev): -21.5925 -21.5924 -21.5684 -21.5682 -19.1673 -19.1669 -19.1055 -19.1055 -8.5406 -8.5403 -8.4062 -8.4052 -5.3875 -5.3753 -5.1823 -5.1646 -4.7286 -4.7267 -4.5558 -4.5465 -4.5392 -4.5341 -4.3760 -4.3568 -2.3089 -2.3080 -1.7144 -1.7117 -1.4750 -1.4694 -1.2081 -1.2035 -0.2892 -0.2823 -0.0551 -0.0538 3.4083 3.4089 3.6319 3.6353 6.6295 6.6299 7.8720 7.8731 k = 0.3723 0.3848-0.0000 ( 4050 PWs) bands (ev): -21.5940 -21.5940 -21.5645 -21.5643 -19.1678 -19.1675 -19.1060 -19.1059 -8.5458 -8.5455 -8.4186 -8.4176 -5.3874 -5.3759 -5.1800 -5.1627 -4.7207 -4.7186 -4.5742 -4.5581 -4.5493 -4.5489 -4.3697 -4.3527 -2.3249 -2.3240 -1.6993 -1.6966 -1.4681 -1.4626 -1.1971 -1.1927 -0.2710 -0.2645 -0.0394 -0.0382 3.4269 3.4276 3.6459 3.6491 6.5734 6.5738 7.8827 7.8836 k = 0.3816 0.3944-0.0000 ( 4052 PWs) bands (ev): -21.5955 -21.5954 -21.5608 -21.5606 -19.1684 -19.1681 -19.1064 -19.1064 -8.5506 -8.5504 -8.4302 -8.4294 -5.3868 -5.3759 -5.1769 -5.1600 -4.7133 -4.7111 -4.5926 -4.5749 -4.5614 -4.5607 -4.3616 -4.3470 -2.3401 -2.3393 -1.6852 -1.6825 -1.4613 -1.4560 -1.1865 -1.1825 -0.2537 -0.2476 -0.0244 -0.0232 3.4447 3.4453 3.6592 3.6623 6.5205 6.5209 7.8933 7.8940 k = 0.3909 0.4041-0.0000 ( 4050 PWs) bands (ev): -21.5969 -21.5968 -21.5573 -21.5571 -19.1690 -19.1687 -19.1068 -19.1068 -8.5552 -8.5549 -8.4411 -8.4403 -5.3857 -5.3754 -5.1730 -5.1565 -4.7066 -4.7041 -4.6108 -4.5928 -4.5736 -4.5736 -4.3528 -4.3401 -2.3543 -2.3536 -1.6720 -1.6693 -1.4547 -1.4496 -1.1765 -1.1728 -0.2373 -0.2317 -0.0101 -0.0091 3.4616 3.4622 3.6718 3.6746 6.4708 6.4712 7.9038 7.9043 k = 0.4002 0.4137-0.0000 ( 4056 PWs) bands (ev): -21.5982 -21.5981 -21.5541 -21.5539 -19.1695 -19.1692 -19.1072 -19.1072 -8.5594 -8.5591 -8.4511 -8.4504 -5.3842 -5.3745 -5.1683 -5.1525 -4.7006 -4.6979 -4.6286 -4.6106 -4.5870 -4.5862 -4.3436 -4.3327 -2.3676 -2.3670 -1.6598 -1.6572 -1.4483 -1.4436 -1.1672 -1.1637 -0.2221 -0.2169 0.0033 0.0043 3.4775 3.4781 3.6836 3.6862 6.4246 6.4249 7.9139 7.9143 k = 0.4095 0.4233-0.0000 ( 4056 PWs) bands (ev): -21.5994 -21.5993 -21.5511 -21.5509 -19.1699 -19.1697 -19.1076 -19.1076 -8.5632 -8.5630 -8.4603 -8.4596 -5.3823 -5.3733 -5.1631 -5.1479 -4.6956 -4.6925 -4.6455 -4.6278 -4.6003 -4.5988 -4.3346 -4.3253 -2.3799 -2.3793 -1.6485 -1.6461 -1.4423 -1.4379 -1.1584 -1.1553 -0.2079 -0.2032 0.0158 0.0167 3.4923 3.4929 3.6945 3.6970 6.3820 6.3823 7.9237 7.9239 k = 0.4188 0.4329-0.0000 ( 4060 PWs) bands (ev): -21.6004 -21.6004 -21.5483 -21.5482 -19.1704 -19.1701 -19.1079 -19.1079 -8.5667 -8.5665 -8.4687 -8.4680 -5.3801 -5.3719 -5.1573 -5.1429 -4.6921 -4.6887 -4.6609 -4.6436 -4.6130 -4.6112 -4.3261 -4.3181 -2.3912 -2.3907 -1.6383 -1.6360 -1.4367 -1.4326 -1.1504 -1.1476 -0.1949 -0.1906 0.0273 0.0282 3.5059 3.5065 3.7046 3.7068 6.3431 6.3434 7.9329 7.9330 k = 0.4281 0.4426-0.0000 ( 4060 PWs) bands (ev): -21.6014 -21.6014 -21.5459 -21.5458 -19.1707 -19.1705 -19.1082 -19.1082 -8.5699 -8.5697 -8.4762 -8.4756 -5.3777 -5.3703 -5.1512 -5.1377 -4.6912 -4.6895 -4.6714 -4.6567 -4.6249 -4.6228 -4.3181 -4.3113 -2.4014 -2.4009 -1.6290 -1.6269 -1.4316 -1.4278 -1.1432 -1.1406 -0.1831 -0.1793 0.0378 0.0385 3.5183 3.5188 3.7137 3.7157 6.3081 6.3083 7.9416 7.9416 k = 0.4374 0.4522-0.0000 ( 4060 PWs) bands (ev): -21.6023 -21.6023 -21.5437 -21.5436 -19.1711 -19.1709 -19.1084 -19.1084 -8.5726 -8.5725 -8.4828 -8.4823 -5.3752 -5.3687 -5.1449 -5.1325 -4.6987 -4.6953 -4.6732 -4.6648 -4.6356 -4.6333 -4.3109 -4.3052 -2.4104 -2.4099 -1.6209 -1.6190 -1.4269 -1.4236 -1.1367 -1.1345 -0.1726 -0.1693 0.0471 0.0478 3.5294 3.5298 3.7218 3.7236 6.2770 6.2773 7.9495 7.9495 k = 0.4467 0.4618-0.0000 ( 4060 PWs) bands (ev): -21.6030 -21.6030 -21.5418 -21.5417 -19.1714 -19.1712 -19.1087 -19.1086 -8.5750 -8.5749 -8.4885 -8.4880 -5.3728 -5.3671 -5.1386 -5.1275 -4.7105 -4.7041 -4.6721 -4.6680 -4.6444 -4.6421 -4.3044 -4.2997 -2.4182 -2.4178 -1.6137 -1.6121 -1.4227 -1.4199 -1.1310 -1.1291 -0.1634 -0.1606 0.0553 0.0559 3.5391 3.5395 3.7289 3.7304 6.2501 6.2503 7.9566 7.9566 k = 0.4561 0.4714-0.0000 ( 4066 PWs) bands (ev): -21.6037 -21.6037 -21.5402 -21.5401 -19.1716 -19.1715 -19.1088 -19.1088 -8.5771 -8.5770 -8.4933 -8.4929 -5.3705 -5.3657 -5.1326 -5.1230 -4.7215 -4.7147 -4.6718 -4.6696 -4.6508 -4.6487 -4.2989 -4.2951 -2.4248 -2.4245 -1.6077 -1.6063 -1.4192 -1.4167 -1.1262 -1.1246 -0.1556 -0.1532 0.0623 0.0627 3.5473 3.5476 3.7350 3.7362 6.2273 6.2275 7.9627 7.9628 k = 0.4654 0.4810-0.0000 ( 4066 PWs) bands (ev): -21.6042 -21.6042 -21.5389 -21.5388 -19.1718 -19.1717 -19.1090 -19.1090 -8.5787 -8.5786 -8.4971 -8.4969 -5.3684 -5.3646 -5.1270 -5.1191 -4.7309 -4.7247 -4.6733 -4.6720 -4.6542 -4.6524 -4.2943 -4.2914 -2.4302 -2.4299 -1.6028 -1.6016 -1.4162 -1.4142 -1.1222 -1.1210 -0.1492 -0.1473 0.0680 0.0683 3.5540 3.5543 3.7399 3.7409 6.2088 6.2089 7.9678 7.9679 k = 0.4747 0.4907-0.0000 ( 4072 PWs) bands (ev): -21.6046 -21.6046 -21.5379 -21.5378 -19.1720 -19.1719 -19.1091 -19.1091 -8.5800 -8.5799 -8.5001 -8.4999 -5.3665 -5.3637 -5.1222 -5.1162 -4.7381 -4.7332 -4.6760 -4.6751 -4.6551 -4.6539 -4.2907 -4.2886 -2.4343 -2.4341 -1.5989 -1.5981 -1.4138 -1.4124 -1.1192 -1.1183 -0.1442 -0.1428 0.0723 0.0726 3.5592 3.5594 3.7437 3.7444 6.1946 6.1947 7.9718 7.9719 k = 0.4840 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.6049 -21.6049 -21.5372 -21.5371 -19.1721 -19.1720 -19.1092 -19.1092 -8.5808 -8.5808 -8.5021 -8.5020 -5.3651 -5.3633 -5.1183 -5.1144 -4.7429 -4.7397 -4.6786 -4.6780 -4.6550 -4.6543 -4.2881 -4.2868 -2.4371 -2.4370 -1.5962 -1.5957 -1.4121 -1.4112 -1.1170 -1.1164 -0.1407 -0.1398 0.0754 0.0756 3.5628 3.5629 3.7464 3.7469 6.1848 6.1849 7.9746 7.9746 k = 0.4840 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.6049 -21.6049 -21.5372 -21.5371 -19.1721 -19.1720 -19.1092 -19.1092 -8.5808 -8.5808 -8.5021 -8.5020 -5.3651 -5.3633 -5.1183 -5.1144 -4.7429 -4.7397 -4.6786 -4.6780 -4.6550 -4.6543 -4.2881 -4.2868 -2.4371 -2.4370 -1.5962 -1.5957 -1.4121 -1.4112 -1.1170 -1.1164 -0.1407 -0.1398 0.0754 0.0756 3.5628 3.5629 3.7464 3.7469 6.1848 6.1849 7.9746 7.9746 k = 0.4705 0.5003-0.0000 ( 4071 PWs) bands (ev): -21.6047 -21.6047 -21.5376 -21.5376 -19.1720 -19.1719 -19.1092 -19.1092 -8.5799 -8.5799 -8.5007 -8.5005 -5.3659 -5.3634 -5.1213 -5.1159 -4.7398 -4.7354 -4.6767 -4.6760 -4.6547 -4.6537 -4.2899 -4.2881 -2.4350 -2.4349 -1.5981 -1.5973 -1.4131 -1.4118 -1.1186 -1.1178 -0.1433 -0.1421 0.0729 0.0731 3.5601 3.5603 3.7443 3.7449 6.1916 6.1917 7.9736 7.9736 k = 0.4571 0.5003-0.0000 ( 4069 PWs) bands (ev): -21.6047 -21.6047 -21.5382 -21.5382 -19.1718 -19.1717 -19.1091 -19.1091 -8.5783 -8.5782 -8.4987 -8.4985 -5.3666 -5.3634 -5.1254 -5.1187 -4.7358 -4.7306 -4.6741 -4.6731 -4.6535 -4.6519 -4.2926 -4.2901 -2.4319 -2.4317 -1.6006 -1.5997 -1.4142 -1.4126 -1.1212 -1.1201 -0.1474 -0.1459 0.0685 0.0689 3.5560 3.5563 3.7409 3.7418 6.2012 6.2013 7.9736 7.9737 k = 0.4436 0.5003-0.0000 ( 4065 PWs) bands (ev): -21.6046 -21.6046 -21.5390 -21.5389 -19.1714 -19.1714 -19.1091 -19.1091 -8.5758 -8.5757 -8.4962 -8.4959 -5.3671 -5.3632 -5.1306 -5.1227 -4.7314 -4.7257 -4.6706 -4.6693 -4.6510 -4.6488 -4.2959 -4.2929 -2.4277 -2.4274 -1.6039 -1.6028 -1.4155 -1.4135 -1.1246 -1.1233 -0.1529 -0.1511 0.0625 0.0629 3.5506 3.5509 3.7363 3.7374 6.2137 6.2139 7.9747 7.9748 k = 0.4302 0.5003-0.0000 ( 4067 PWs) bands (ev): -21.6046 -21.6046 -21.5398 -21.5398 -19.1710 -19.1709 -19.1092 -19.1092 -8.5725 -8.5724 -8.4930 -8.4927 -5.3675 -5.3629 -5.1365 -5.1275 -4.7273 -4.7215 -4.6660 -4.6643 -4.6473 -4.6442 -4.3000 -4.2964 -2.4224 -2.4221 -1.6079 -1.6065 -1.4168 -1.4145 -1.1289 -1.1274 -0.1598 -0.1576 0.0547 0.0552 3.5440 3.5443 3.7305 3.7317 6.2290 6.2292 7.9768 7.9769 k = 0.4168 0.5003-0.0000 ( 4074 PWs) bands (ev): -21.6047 -21.6046 -21.5409 -21.5408 -19.1705 -19.1704 -19.1092 -19.1092 -8.5685 -8.5684 -8.4894 -8.4890 -5.3676 -5.3624 -5.1430 -5.1331 -4.7241 -4.7187 -4.6599 -4.6580 -4.6420 -4.6378 -4.3048 -4.3005 -2.4162 -2.4158 -1.6125 -1.6110 -1.4182 -1.4156 -1.1341 -1.1324 -0.1679 -0.1654 0.0453 0.0459 3.5361 3.5365 3.7236 3.7250 6.2471 6.2474 7.9799 7.9800 k = 0.4033 0.5003-0.0000 ( 4068 PWs) bands (ev): -21.6047 -21.6047 -21.5420 -21.5419 -19.1699 -19.1697 -19.1093 -19.1093 -8.5638 -8.5636 -8.4852 -8.4847 -5.3675 -5.3616 -5.1499 -5.1391 -4.7223 -4.7175 -4.6526 -4.6508 -4.6350 -4.6293 -4.3102 -4.3052 -2.4089 -2.4086 -1.6179 -1.6162 -1.4197 -1.4168 -1.1402 -1.1382 -0.1772 -0.1744 0.0344 0.0350 3.5273 3.5277 3.7157 3.7172 6.2680 6.2682 7.9840 7.9841 k = 0.3899 0.5003-0.0000 ( 4070 PWs) bands (ev): -21.6048 -21.6048 -21.5433 -21.5432 -19.1692 -19.1690 -19.1094 -19.1094 -8.5583 -8.5582 -8.4805 -8.4800 -5.3671 -5.3607 -5.1569 -5.1454 -4.7219 -4.7177 -4.6446 -4.6432 -4.6260 -4.6186 -4.3163 -4.3104 -2.4007 -2.4003 -1.6239 -1.6221 -1.4213 -1.4181 -1.1470 -1.1449 -0.1877 -0.1845 0.0219 0.0226 3.5175 3.5180 3.7067 3.7083 6.2915 6.2918 7.9891 7.9891 k = 0.3764 0.5003-0.0000 ( 4068 PWs) bands (ev): -21.6050 -21.6049 -21.5447 -21.5446 -19.1684 -19.1682 -19.1095 -19.1095 -8.5522 -8.5520 -8.4754 -8.4748 -5.3664 -5.3594 -5.1639 -5.1517 -4.7229 -4.7192 -4.6365 -4.6357 -4.6147 -4.6057 -4.3228 -4.3161 -2.3917 -2.3912 -1.6306 -1.6287 -1.4229 -1.4194 -1.1547 -1.1524 -0.1991 -0.1956 0.0079 0.0087 3.5070 3.5075 3.6968 3.6986 6.3176 6.3179 7.9951 7.9952 k = 0.3630 0.5003-0.0000 ( 4073 PWs) bands (ev): -21.6051 -21.6051 -21.5462 -21.5461 -19.1675 -19.1673 -19.1097 -19.1096 -8.5455 -8.5453 -8.4698 -8.4692 -5.3654 -5.3578 -5.1707 -5.1580 -4.7250 -4.7218 -4.6286 -4.6284 -4.6014 -4.5912 -4.3298 -4.3221 -2.3818 -2.3813 -1.6380 -1.6360 -1.4245 -1.4208 -1.1632 -1.1607 -0.2114 -0.2077 -0.0074 -0.0065 3.4959 3.4964 3.6860 3.6879 6.3462 6.3467 8.0019 8.0021 k = 0.3495 0.5003-0.0000 ( 4072 PWs) bands (ev): -21.6053 -21.6052 -21.5478 -21.5477 -19.1665 -19.1663 -19.1098 -19.1098 -8.5382 -8.5380 -8.4639 -8.4633 -5.3640 -5.3559 -5.1772 -5.1640 -4.7281 -4.7252 -4.6213 -4.6209 -4.5866 -4.5754 -4.3371 -4.3283 -2.3711 -2.3706 -1.6460 -1.6440 -1.4263 -1.4223 -1.1725 -1.1698 -0.2244 -0.2205 -0.0239 -0.0229 3.4843 3.4849 3.6745 3.6765 6.3773 6.3778 8.0096 8.0098 k = 0.3361 0.5003-0.0000 ( 4068 PWs) bands (ev): -21.6055 -21.6054 -21.5495 -21.5494 -19.1655 -19.1652 -19.1100 -19.1100 -8.5304 -8.5302 -8.4576 -8.4569 -5.3622 -5.3536 -5.1833 -5.1696 -4.7320 -4.7293 -4.6146 -4.6135 -4.5707 -4.5588 -4.3445 -4.3346 -2.3597 -2.3592 -1.6547 -1.6526 -1.4280 -1.4238 -1.1825 -1.1795 -0.2381 -0.2339 -0.0416 -0.0405 3.4724 3.4730 3.6623 3.6644 6.4108 6.4114 8.0179 8.0182 k = 0.3227 0.5003-0.0000 ( 4066 PWs) bands (ev): -21.6056 -21.6056 -21.5513 -21.5512 -19.1643 -19.1641 -19.1103 -19.1103 -8.5222 -8.5219 -8.4510 -8.4503 -5.3600 -5.3509 -5.1888 -5.1747 -4.7365 -4.7340 -4.6084 -4.6066 -4.5541 -4.5415 -4.3519 -4.3408 -2.3476 -2.3471 -1.6640 -1.6618 -1.4298 -1.4254 -1.1931 -1.1900 -0.2523 -0.2479 -0.0603 -0.0591 3.4603 3.4610 3.6495 3.6517 6.4466 6.4473 8.0269 8.0273 k = 0.3092 0.5003-0.0000 ( 4065 PWs) bands (ev): -21.6058 -21.6058 -21.5532 -21.5530 -19.1631 -19.1629 -19.1105 -19.1105 -8.5135 -8.5132 -8.4442 -8.4435 -5.3573 -5.3477 -5.1937 -5.1792 -4.7417 -4.7393 -4.6030 -4.6003 -4.5370 -4.5239 -4.3591 -4.3465 -2.3349 -2.3344 -1.6739 -1.6717 -1.4315 -1.4270 -1.2044 -1.2011 -0.2669 -0.2623 -0.0798 -0.0785 3.4482 3.4489 3.6362 3.6385 6.4846 6.4854 8.0363 8.0369 k = 0.2958 0.5003-0.0000 ( 4061 PWs) bands (ev): -21.6060 -21.6060 -21.5551 -21.5550 -19.1619 -19.1616 -19.1108 -19.1108 -8.5044 -8.5041 -8.4372 -8.4364 -5.3541 -5.3441 -5.1979 -5.1830 -4.7475 -4.7451 -4.5986 -4.5949 -4.5197 -4.5061 -4.3657 -4.3516 -2.3217 -2.3212 -1.6845 -1.6823 -1.4333 -1.4286 -1.2162 -1.2128 -0.2818 -0.2770 -0.1002 -0.0988 3.4362 3.4370 3.6225 3.6249 6.5247 6.5256 8.0461 8.0468 k = 0.2823 0.5003-0.0000 ( 4064 PWs) bands (ev): -21.6062 -21.6061 -21.5571 -21.5570 -19.1606 -19.1603 -19.1112 -19.1111 -8.4951 -8.4948 -8.4301 -8.4292 -5.3504 -5.3400 -5.2013 -5.1861 -4.7537 -4.7514 -4.5957 -4.5908 -4.5023 -4.4883 -4.3715 -4.3558 -2.3080 -2.3075 -1.6956 -1.6934 -1.4351 -1.4302 -1.2285 -1.2250 -0.2968 -0.2918 -0.1211 -0.1196 3.4245 3.4253 3.6085 3.6109 6.5669 6.5678 8.0560 8.0569 k = 0.2689 0.5003-0.0000 ( 4060 PWs) bands (ev): -21.6064 -21.6063 -21.5592 -21.5590 -19.1592 -19.1589 -19.1116 -19.1115 -8.4855 -8.4852 -8.4228 -8.4220 -5.3462 -5.3354 -5.2040 -5.1883 -4.7605 -4.7582 -4.5944 -4.5884 -4.4850 -4.4705 -4.3759 -4.3587 -2.2940 -2.2934 -1.7072 -1.7051 -1.4368 -1.4319 -1.2412 -1.2375 -0.3117 -0.3066 -0.1426 -0.1409 3.4132 3.4140 3.5942 3.5966 6.6110 6.6120 8.0658 8.0669 k = 0.2554 0.5003-0.0000 ( 4056 PWs) bands (ev): -21.6065 -21.6064 -21.5613 -21.5611 -19.1578 -19.1575 -19.1120 -19.1119 -8.4758 -8.4754 -8.4155 -8.4147 -5.3415 -5.3302 -5.2057 -5.1898 -4.7676 -4.7653 -4.5951 -4.5881 -4.4678 -4.4529 -4.3788 -4.3602 -2.2796 -2.2790 -1.7194 -1.7173 -1.4385 -1.4335 -1.2543 -1.2505 -0.3265 -0.3213 -0.1643 -0.1625 3.4023 3.4031 3.5797 3.5822 6.6569 6.6580 8.0753 8.0766 k = 0.2420 0.5003-0.0000 ( 4062 PWs) bands (ev): -21.6066 -21.6066 -21.5634 -21.5633 -19.1563 -19.1560 -19.1124 -19.1124 -8.4660 -8.4656 -8.4083 -8.4074 -5.3362 -5.3245 -5.2067 -5.1903 -4.7752 -4.7728 -4.5979 -4.5902 -4.4509 -4.4357 -4.3798 -4.3601 -2.2649 -2.2644 -1.7321 -1.7300 -1.4402 -1.4351 -1.2676 -1.2636 -0.3411 -0.3358 -0.1862 -0.1843 3.3920 3.3929 3.5652 3.5677 6.7046 6.7057 8.0840 8.0856 k = 0.2285 0.5003-0.0000 ( 4055 PWs) bands (ev): -21.6067 -21.6066 -21.5656 -21.5654 -19.1548 -19.1545 -19.1129 -19.1129 -8.4561 -8.4557 -8.4011 -8.4002 -5.3303 -5.3182 -5.2068 -5.1900 -4.7831 -4.7805 -4.6030 -4.5947 -4.4345 -4.4189 -4.3788 -4.3582 -2.2500 -2.2495 -1.7453 -1.7433 -1.4418 -1.4366 -1.2810 -1.2770 -0.3554 -0.3500 -0.2082 -0.2061 3.3823 3.3833 3.5506 3.5531 6.7538 6.7550 8.0918 8.0936 k = 0.2151 0.5003-0.0000 ( 4055 PWs) bands (ev): -21.6067 -21.6066 -21.5678 -21.5676 -19.1533 -19.1530 -19.1135 -19.1134 -8.4463 -8.4458 -8.3941 -8.3932 -5.3239 -5.3114 -5.2061 -5.1889 -4.7912 -4.7886 -4.6102 -4.6017 -4.4185 -4.4025 -4.3759 -4.3548 -2.2350 -2.2345 -1.7589 -1.7570 -1.4434 -1.4381 -1.2944 -1.2903 -0.3691 -0.3636 -0.2300 -0.2278 3.3734 3.3744 3.5361 3.5386 6.8045 6.8058 8.0981 8.1002 k = 0.2017 0.5003-0.0000 ( 4059 PWs) bands (ev): -21.6067 -21.6066 -21.5700 -21.5698 -19.1517 -19.1514 -19.1141 -19.1140 -8.4366 -8.4361 -8.3873 -8.3863 -5.3169 -5.3041 -5.2046 -5.1870 -4.7996 -4.7968 -4.6195 -4.6110 -4.4031 -4.3867 -4.3713 -4.3500 -2.2200 -2.2194 -1.7729 -1.7710 -1.4448 -1.4395 -1.3078 -1.3036 -0.3823 -0.3768 -0.2515 -0.2491 3.3653 3.3663 3.5217 3.5242 6.8566 6.8580 8.1024 8.1047 k = 0.1882 0.5003-0.0000 ( 4061 PWs) bands (ev): -21.6067 -21.6066 -21.5721 -21.5719 -19.1501 -19.1498 -19.1147 -19.1146 -8.4270 -8.4265 -8.3807 -8.3797 -5.3094 -5.2962 -5.2024 -5.1844 -4.8081 -4.8050 -4.6305 -4.6223 -4.3885 -4.3716 -4.3653 -4.3440 -2.2048 -2.2043 -1.7873 -1.7855 -1.4462 -1.4409 -1.3210 -1.3167 -0.3948 -0.3893 -0.2726 -0.2700 3.3581 3.3591 3.5075 3.5100 6.9100 6.9114 8.1041 8.1067 k = 0.1748 0.5003-0.0000 ( 4061 PWs) bands (ev): -21.6065 -21.6064 -21.5743 -21.5741 -19.1485 -19.1482 -19.1154 -19.1153 -8.4177 -8.4171 -8.3744 -8.3734 -5.3014 -5.2878 -5.1996 -5.1811 -4.8165 -4.8133 -4.6431 -4.6353 -4.3746 -4.3581 -4.3573 -4.3371 -2.1897 -2.1892 -1.8019 -1.8002 -1.4475 -1.4422 -1.3339 -1.3295 -0.4066 -0.4011 -0.2931 -0.2904 3.3517 3.3528 3.4935 3.4960 6.9644 6.9659 8.1027 8.1055 k = 0.1613 0.5003-0.0000 ( 4061 PWs) bands (ev): -21.6063 -21.6062 -21.5764 -21.5762 -19.1469 -19.1466 -19.1161 -19.1160 -8.4087 -8.4081 -8.3685 -8.3675 -5.2929 -5.2790 -5.1962 -5.1772 -4.8249 -4.8213 -4.6569 -4.6497 -4.3617 -4.3501 -4.3437 -4.3296 -2.1746 -2.1741 -1.8168 -1.8152 -1.4487 -1.4433 -1.3463 -1.3419 -0.4176 -0.4120 -0.3129 -0.3100 3.3463 3.3475 3.4799 3.4823 7.0199 7.0214 8.0977 8.1005 k = 0.1479 0.5003-0.0000 ( 4072 PWs) bands (ev): -21.6061 -21.6060 -21.5785 -21.5783 -19.1453 -19.1450 -19.1169 -19.1168 -8.4000 -8.3993 -8.3630 -8.3620 -5.2841 -5.2697 -5.1925 -5.1730 -4.8329 -4.8291 -4.6717 -4.6651 -4.3499 -4.3414 -4.3311 -4.3217 -2.1596 -2.1591 -1.8319 -1.8304 -1.4497 -1.4443 -1.3583 -1.3539 -0.4276 -0.4221 -0.3318 -0.3289 3.3419 3.3430 3.4665 3.4689 7.0761 7.0777 8.0884 8.0912 k = 0.1344 0.5003-0.0000 ( 4070 PWs) bands (ev): -21.6058 -21.6056 -21.5806 -21.5804 -19.1437 -19.1435 -19.1177 -19.1176 -8.3917 -8.3910 -8.3579 -8.3569 -5.2748 -5.2600 -5.1886 -5.1685 -4.8405 -4.8364 -4.6872 -4.6813 -4.3393 -4.3323 -4.3194 -4.3137 -2.1447 -2.1441 -1.8472 -1.8458 -1.4506 -1.4452 -1.3698 -1.3653 -0.4367 -0.4312 -0.3499 -0.3467 3.3384 3.3396 3.4536 3.4560 7.1331 7.1347 8.0744 8.0772 k = 0.1210 0.5003-0.0000 ( 4065 PWs) bands (ev): -21.6053 -21.6052 -21.5826 -21.5824 -19.1421 -19.1419 -19.1186 -19.1185 -8.3839 -8.3832 -8.3534 -8.3524 -5.2653 -5.2501 -5.1846 -5.1641 -4.8474 -4.8429 -4.7033 -4.6981 -4.3298 -4.3232 -4.3088 -4.3057 -2.1298 -2.1293 -1.8625 -1.8612 -1.4512 -1.4459 -1.3805 -1.3760 -0.4447 -0.4393 -0.3669 -0.3636 3.3359 3.3371 3.4412 3.4435 7.1905 7.1921 8.0556 8.0582 k = 0.1076 0.5003-0.0000 ( 4071 PWs) bands (ev): -21.6049 -21.6047 -21.5846 -21.5844 -19.1406 -19.1403 -19.1196 -19.1194 -8.3765 -8.3758 -8.3493 -8.3483 -5.2556 -5.2398 -5.1809 -5.1599 -4.8532 -4.8486 -4.7196 -4.7152 -4.3212 -4.3145 -4.2994 -4.2977 -2.1151 -2.1146 -1.8779 -1.8767 -1.4517 -1.4463 -1.3906 -1.3860 -0.4516 -0.4463 -0.3827 -0.3793 3.3343 3.3356 3.4292 3.4314 7.2484 7.2500 8.0319 8.0342 k = 0.0941 0.5003-0.0000 ( 4069 PWs) bands (ev): -21.6043 -21.6041 -21.5865 -21.5863 -19.1390 -19.1387 -19.1205 -19.1204 -8.3698 -8.3690 -8.3459 -8.3449 -5.2457 -5.2295 -5.1776 -5.1562 -4.8579 -4.8530 -4.7361 -4.7324 -4.3133 -4.3066 -4.2916 -4.2898 -2.1005 -2.1000 -1.8934 -1.8922 -1.4518 -1.4465 -1.3998 -1.3952 -0.4574 -0.4521 -0.3974 -0.3938 3.3338 3.3351 3.4178 3.4199 7.3064 7.3079 8.0034 8.0054 k = 0.0807 0.5003-0.0000 ( 4071 PWs) bands (ev): -21.6036 -21.6035 -21.5883 -21.5881 -19.1374 -19.1372 -19.1216 -19.1214 -8.3636 -8.3628 -8.3431 -8.3421 -5.2359 -5.2191 -5.1750 -5.1533 -4.8610 -4.8560 -4.7523 -4.7494 -4.3061 -4.2997 -4.2848 -4.2825 -2.0859 -2.0854 -1.9087 -1.9077 -1.4517 -1.4464 -1.4083 -1.4036 -0.4620 -0.4567 -0.4107 -0.4070 3.3342 3.3356 3.4069 3.4090 7.3644 7.3659 7.9705 7.9720 k = 0.0672 0.5003-0.0000 ( 4075 PWs) bands (ev): -21.6028 -21.6027 -21.5901 -21.5899 -19.1359 -19.1357 -19.1226 -19.1225 -8.3580 -8.3572 -8.3409 -8.3399 -5.2262 -5.2089 -5.1735 -5.1516 -4.8622 -4.8574 -4.7683 -4.7662 -4.2998 -4.2939 -4.2788 -4.2763 -2.0714 -2.0709 -1.9241 -1.9231 -1.4512 -1.4460 -1.4159 -1.4111 -0.4653 -0.4602 -0.4228 -0.4189 3.3355 3.3370 3.3967 3.3987 7.4222 7.4236 7.9334 7.9346 k = 0.0538 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.6020 -21.6018 -21.5917 -21.5916 -19.1344 -19.1342 -19.1238 -19.1236 -8.3531 -8.3523 -8.3394 -8.3384 -5.2168 -5.1989 -5.1731 -5.1512 -4.8615 -4.8568 -4.7836 -4.7823 -4.2943 -4.2892 -4.2737 -4.2713 -2.0570 -2.0564 -1.9393 -1.9384 -1.4504 -1.4452 -1.4227 -1.4179 -0.4673 -0.4623 -0.4334 -0.4294 3.3378 3.3393 3.3871 3.3891 7.4797 7.4809 7.8927 7.8934 k = 0.0403 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.6010 -21.6009 -21.5933 -21.5932 -19.1330 -19.1327 -19.1250 -19.1248 -8.3489 -8.3480 -8.3386 -8.3376 -5.2078 -5.1893 -5.1741 -5.1524 -4.8585 -4.8542 -4.7980 -4.7977 -4.2897 -4.2857 -4.2696 -4.2675 -2.0425 -2.0420 -1.9544 -1.9535 -1.4491 -1.4439 -1.4286 -1.4238 -0.4680 -0.4631 -0.4427 -0.4385 3.3410 3.3426 3.3782 3.3801 7.5365 7.5376 7.8487 7.8491 k = 0.0269 0.5003-0.0000 ( 4078 PWs) bands (ev): -21.6000 -21.5998 -21.5949 -21.5947 -19.1315 -19.1313 -19.1262 -19.1260 -8.3454 -8.3445 -8.3385 -8.3375 -5.1995 -5.1804 -5.1765 -5.1551 -4.8532 -4.8495 -4.8120 -4.8114 -4.2862 -4.2835 -4.2664 -4.2649 -2.0281 -2.0275 -1.9693 -1.9686 -1.4472 -1.4422 -1.4338 -1.4289 -0.4673 -0.4625 -0.4505 -0.4461 3.3451 3.3468 3.3700 3.3719 7.5924 7.5934 7.8018 7.8019 k = 0.0134 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.5988 -21.5987 -21.5963 -21.5961 -19.1301 -19.1299 -19.1275 -19.1272 -8.3425 -8.3416 -8.3391 -8.3382 -5.1920 -5.1804 -5.1723 -5.1595 -4.8458 -4.8427 -4.8249 -4.8235 -4.2838 -4.2824 -4.2643 -4.2635 -2.0135 -2.0129 -1.9842 -1.9835 -1.4449 -1.4398 -1.4382 -1.4333 -0.4653 -0.4605 -0.4568 -0.4524 3.3501 3.3518 3.3626 3.3644 7.6472 7.6479 7.7522 7.7525 k = 0.0000 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.5976 -21.5976 -21.5974 -21.5974 -19.1288 -19.1288 -19.1286 -19.1286 -8.3405 -8.3405 -8.3395 -8.3395 -5.1856 -5.1856 -5.1652 -5.1652 -4.8363 -4.8363 -4.8340 -4.8340 -4.2825 -4.2825 -4.2633 -4.2633 -1.9989 -1.9989 -1.9982 -1.9982 -1.4419 -1.4419 -1.4369 -1.4369 -0.4618 -0.4618 -0.4572 -0.4572 3.3559 3.3559 3.3577 3.3577 7.7006 7.7006 7.7011 7.7011 k = 0.0000 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.5976 -21.5976 -21.5974 -21.5974 -19.1288 -19.1288 -19.1286 -19.1286 -8.3405 -8.3405 -8.3395 -8.3395 -5.1856 -5.1856 -5.1652 -5.1652 -4.8363 -4.8363 -4.8340 -4.8340 -4.2825 -4.2825 -4.2633 -4.2633 -1.9989 -1.9989 -1.9982 -1.9982 -1.4419 -1.4419 -1.4369 -1.4369 -0.4618 -0.4618 -0.4572 -0.4572 3.3559 3.3559 3.3577 3.3577 7.7006 7.7006 7.7011 7.7011 k = 0.0000 0.5003 0.0135 ( 4072 PWs) bands (ev): -21.5976 -21.5976 -21.5974 -21.5974 -19.1288 -19.1288 -19.1286 -19.1286 -8.3404 -8.3404 -8.3394 -8.3394 -5.1866 -5.1866 -5.1663 -5.1663 -4.8355 -4.8355 -4.8326 -4.8326 -4.2828 -4.2828 -4.2636 -4.2636 -1.9990 -1.9990 -1.9983 -1.9983 -1.4416 -1.4416 -1.4366 -1.4366 -0.4618 -0.4618 -0.4572 -0.4572 3.3561 3.3561 3.3579 3.3579 7.6998 7.6998 7.7005 7.7005 k = 0.0000 0.5003 0.0271 ( 4078 PWs) bands (ev): -21.5976 -21.5976 -21.5974 -21.5974 -19.1288 -19.1288 -19.1286 -19.1286 -8.3401 -8.3401 -8.3392 -8.3392 -5.1895 -5.1895 -5.1693 -5.1693 -4.8329 -4.8329 -4.8286 -4.8286 -4.2836 -4.2836 -4.2644 -4.2644 -1.9991 -1.9991 -1.9983 -1.9983 -1.4410 -1.4410 -1.4360 -1.4360 -0.4618 -0.4618 -0.4572 -0.4572 3.3566 3.3566 3.3584 3.3584 7.6976 7.6976 7.6986 7.6986 k = 0.0000 0.5003 0.0406 ( 4076 PWs) bands (ev): -21.5976 -21.5976 -21.5974 -21.5974 -19.1288 -19.1288 -19.1286 -19.1286 -8.3397 -8.3397 -8.3388 -8.3388 -5.1942 -5.1942 -5.1743 -5.1743 -4.8284 -4.8284 -4.8225 -4.8225 -4.2850 -4.2850 -4.2657 -4.2657 -1.9994 -1.9994 -1.9985 -1.9985 -1.4400 -1.4400 -1.4348 -1.4348 -0.4618 -0.4618 -0.4572 -0.4572 3.3574 3.3574 3.3592 3.3592 7.6941 7.6941 7.6954 7.6954 k = 0.0000 0.5003 0.0541 ( 4076 PWs) bands (ev): -21.5975 -21.5975 -21.5974 -21.5974 -19.1289 -19.1289 -19.1287 -19.1287 -8.3391 -8.3391 -8.3382 -8.3382 -5.2004 -5.2004 -5.1809 -5.1809 -4.8220 -4.8220 -4.8147 -4.8147 -4.2869 -4.2869 -4.2676 -4.2676 -1.9997 -1.9997 -1.9987 -1.9987 -1.4385 -1.4385 -1.4333 -1.4333 -0.4618 -0.4618 -0.4573 -0.4573 3.3585 3.3585 3.3604 3.3604 7.6893 7.6893 7.6910 7.6910 k = 0.0000 0.5003 0.0677 ( 4080 PWs) bands (ev): -21.5975 -21.5975 -21.5974 -21.5974 -19.1290 -19.1290 -19.1287 -19.1287 -8.3383 -8.3383 -8.3374 -8.3374 -5.2080 -5.2080 -5.1890 -5.1890 -4.8140 -4.8140 -4.8052 -4.8052 -4.2893 -4.2893 -4.2701 -4.2701 -2.0001 -2.0001 -1.9990 -1.9990 -1.4367 -1.4367 -1.4314 -1.4314 -0.4618 -0.4618 -0.4574 -0.4574 3.3599 3.3599 3.3619 3.3619 7.6834 7.6834 7.6854 7.6854 k = 0.0000 0.5003 0.0812 ( 4076 PWs) bands (ev): -21.5975 -21.5975 -21.5973 -21.5973 -19.1290 -19.1290 -19.1288 -19.1288 -8.3374 -8.3374 -8.3365 -8.3365 -5.2167 -5.2167 -5.1982 -5.1982 -4.8046 -4.8046 -4.7945 -4.7945 -4.2923 -4.2923 -4.2730 -4.2730 -2.0005 -2.0005 -1.9993 -1.9993 -1.4345 -1.4345 -1.4291 -1.4291 -0.4618 -0.4618 -0.4575 -0.4575 3.3616 3.3616 3.3637 3.3637 7.6764 7.6764 7.6788 7.6788 k = 0.0000 0.5003 0.0947 ( 4078 PWs) bands (ev): -21.5974 -21.5974 -21.5973 -21.5973 -19.1291 -19.1291 -19.1289 -19.1289 -8.3364 -8.3364 -8.3355 -8.3355 -5.2263 -5.2263 -5.2083 -5.2083 -4.7939 -4.7939 -4.7827 -4.7827 -4.2958 -4.2958 -4.2765 -4.2765 -2.0010 -2.0010 -1.9996 -1.9996 -1.4320 -1.4320 -1.4265 -1.4265 -0.4619 -0.4619 -0.4575 -0.4575 3.3636 3.3636 3.3658 3.3658 7.6686 7.6686 7.6712 7.6712 k = 0.0000 0.5003 0.1083 ( 4072 PWs) bands (ev): -21.5974 -21.5974 -21.5972 -21.5972 -19.1292 -19.1292 -19.1290 -19.1290 -8.3352 -8.3352 -8.3343 -8.3343 -5.2365 -5.2365 -5.2191 -5.2191 -4.7823 -4.7823 -4.7701 -4.7701 -4.2998 -4.2998 -4.2805 -4.2805 -2.0015 -2.0015 -2.0000 -2.0000 -1.4293 -1.4293 -1.4236 -1.4236 -0.4619 -0.4619 -0.4576 -0.4576 3.3658 3.3658 3.3680 3.3680 7.6600 7.6600 7.6628 7.6628 k = 0.0000 0.5003 0.1218 ( 4068 PWs) bands (ev): -21.5973 -21.5973 -21.5972 -21.5972 -19.1293 -19.1293 -19.1291 -19.1291 -8.3339 -8.3339 -8.3331 -8.3331 -5.2471 -5.2471 -5.2303 -5.2303 -4.7699 -4.7699 -4.7568 -4.7568 -4.3043 -4.3043 -4.2850 -4.2850 -2.0021 -2.0021 -2.0005 -2.0005 -1.4263 -1.4263 -1.4205 -1.4205 -0.4619 -0.4619 -0.4577 -0.4577 3.3681 3.3681 3.3705 3.3705 7.6507 7.6507 7.6538 7.6538 k = 0.0000 0.5003 0.1353 ( 4066 PWs) bands (ev): -21.5973 -21.5973 -21.5971 -21.5971 -19.1294 -19.1294 -19.1292 -19.1292 -8.3326 -8.3326 -8.3317 -8.3317 -5.2579 -5.2579 -5.2417 -5.2417 -4.7569 -4.7569 -4.7430 -4.7430 -4.3093 -4.3093 -4.2900 -4.2900 -2.0026 -2.0026 -2.0009 -2.0009 -1.4232 -1.4232 -1.4172 -1.4172 -0.4619 -0.4619 -0.4578 -0.4578 3.3707 3.3707 3.3732 3.3732 7.6410 7.6410 7.6443 7.6443 k = 0.0000 0.5003 0.1489 ( 4064 PWs) bands (ev): -21.5972 -21.5972 -21.5971 -21.5971 -19.1295 -19.1295 -19.1294 -19.1294 -8.3311 -8.3311 -8.3303 -8.3303 -5.2688 -5.2688 -5.2531 -5.2531 -4.7435 -4.7435 -4.7289 -4.7289 -4.3147 -4.3147 -4.2955 -4.2955 -2.0031 -2.0031 -2.0013 -2.0013 -1.4200 -1.4200 -1.4137 -1.4137 -0.4619 -0.4619 -0.4580 -0.4580 3.3733 3.3733 3.3759 3.3759 7.6310 7.6310 7.6345 7.6345 k = 0.0000 0.5003 0.1624 ( 4066 PWs) bands (ev): -21.5972 -21.5972 -21.5970 -21.5970 -19.1297 -19.1297 -19.1295 -19.1295 -8.3297 -8.3297 -8.3289 -8.3289 -5.2796 -5.2796 -5.2644 -5.2644 -4.7297 -4.7297 -4.7146 -4.7146 -4.3206 -4.3206 -4.3015 -4.3015 -2.0036 -2.0036 -2.0018 -2.0018 -1.4166 -1.4166 -1.4103 -1.4103 -0.4619 -0.4619 -0.4581 -0.4581 3.3761 3.3761 3.3788 3.3788 7.6208 7.6208 7.6244 7.6244 k = 0.0000 0.5003 0.1759 ( 4072 PWs) bands (ev): -21.5971 -21.5971 -21.5970 -21.5970 -19.1298 -19.1298 -19.1296 -19.1296 -8.3282 -8.3282 -8.3274 -8.3274 -5.2902 -5.2902 -5.2755 -5.2755 -4.7158 -4.7158 -4.7003 -4.7003 -4.3268 -4.3268 -4.3079 -4.3079 -2.0041 -2.0041 -2.0022 -2.0022 -1.4133 -1.4133 -1.4068 -1.4068 -0.4618 -0.4618 -0.4582 -0.4582 3.3789 3.3789 3.3816 3.3816 7.6106 7.6106 7.6144 7.6144 k = 0.0000 0.5003 0.1895 ( 4056 PWs) bands (ev): -21.5970 -21.5970 -21.5969 -21.5969 -19.1299 -19.1299 -19.1297 -19.1297 -8.3267 -8.3267 -8.3260 -8.3260 -5.3004 -5.3004 -5.2863 -5.2863 -4.7018 -4.7018 -4.6859 -4.6859 -4.3334 -4.3334 -4.3147 -4.3147 -2.0046 -2.0046 -2.0026 -2.0026 -1.4100 -1.4100 -1.4033 -1.4033 -0.4618 -0.4618 -0.4582 -0.4582 3.3817 3.3817 3.3846 3.3846 7.6006 7.6006 7.6044 7.6044 k = 0.0000 0.5003 0.2030 ( 4056 PWs) bands (ev): -21.5970 -21.5970 -21.5969 -21.5969 -19.1300 -19.1300 -19.1299 -19.1299 -8.3252 -8.3252 -8.3245 -8.3245 -5.3101 -5.3101 -5.2965 -5.2965 -4.6879 -4.6879 -4.6718 -4.6718 -4.3403 -4.3403 -4.3219 -4.3219 -2.0050 -2.0050 -2.0030 -2.0030 -1.4067 -1.4067 -1.3999 -1.3999 -0.4617 -0.4617 -0.4583 -0.4583 3.3844 3.3844 3.3874 3.3874 7.5909 7.5909 7.5947 7.5947 k = 0.0000 0.5003 0.2165 ( 4056 PWs) bands (ev): -21.5969 -21.5969 -21.5968 -21.5968 -19.1301 -19.1301 -19.1300 -19.1300 -8.3238 -8.3238 -8.3231 -8.3231 -5.3194 -5.3194 -5.3062 -5.3062 -4.6740 -4.6740 -4.6579 -4.6579 -4.3474 -4.3474 -4.3294 -4.3294 -2.0054 -2.0054 -2.0033 -2.0033 -1.4036 -1.4036 -1.3967 -1.3967 -0.4617 -0.4617 -0.4584 -0.4584 3.3871 3.3871 3.3902 3.3902 7.5815 7.5815 7.5854 7.5854 k = 0.0000 0.5003 0.2301 ( 4054 PWs) bands (ev): -21.5968 -21.5968 -21.5968 -21.5968 -19.1303 -19.1303 -19.1301 -19.1301 -8.3224 -8.3224 -8.3218 -8.3218 -5.3279 -5.3279 -5.3152 -5.3152 -4.6605 -4.6605 -4.6444 -4.6444 -4.3547 -4.3547 -4.3372 -4.3372 -2.0057 -2.0057 -2.0036 -2.0036 -1.4006 -1.4006 -1.3936 -1.3936 -0.4616 -0.4616 -0.4585 -0.4585 3.3897 3.3897 3.3928 3.3928 7.5727 7.5727 7.5767 7.5767 k = 0.0000 0.5003 0.2436 ( 4056 PWs) bands (ev): -21.5968 -21.5968 -21.5967 -21.5967 -19.1304 -19.1304 -19.1302 -19.1302 -8.3211 -8.3211 -8.3205 -8.3205 -5.3358 -5.3358 -5.3234 -5.3234 -4.6474 -4.6474 -4.6314 -4.6314 -4.3619 -4.3619 -4.3451 -4.3451 -2.0060 -2.0060 -2.0039 -2.0039 -1.3979 -1.3979 -1.3907 -1.3907 -0.4615 -0.4615 -0.4585 -0.4585 3.3921 3.3921 3.3953 3.3953 7.5646 7.5646 7.5685 7.5685 k = 0.0000 0.5003 0.2571 ( 4056 PWs) bands (ev): -21.5967 -21.5967 -21.5967 -21.5967 -19.1305 -19.1305 -19.1303 -19.1303 -8.3199 -8.3199 -8.3193 -8.3193 -5.3429 -5.3429 -5.3309 -5.3309 -4.6348 -4.6348 -4.6192 -4.6192 -4.3690 -4.3690 -4.3531 -4.3531 -2.0063 -2.0063 -2.0041 -2.0041 -1.3954 -1.3954 -1.3881 -1.3881 -0.4614 -0.4614 -0.4586 -0.4586 3.3944 3.3944 3.3976 3.3976 7.5571 7.5571 7.5611 7.5611 k = 0.0000 0.5003 0.2707 ( 4058 PWs) bands (ev): -21.5967 -21.5967 -21.5966 -21.5966 -19.1305 -19.1305 -19.1304 -19.1304 -8.3188 -8.3188 -8.3183 -8.3183 -5.3492 -5.3492 -5.3375 -5.3375 -4.6229 -4.6229 -4.6079 -4.6079 -4.3758 -4.3758 -4.3610 -4.3610 -2.0065 -2.0065 -2.0044 -2.0044 -1.3931 -1.3931 -1.3858 -1.3858 -0.4614 -0.4614 -0.4586 -0.4586 3.3964 3.3964 3.3997 3.3997 7.5505 7.5505 7.5544 7.5544 k = 0.0000 0.5003 0.2842 ( 4062 PWs) bands (ev): -21.5967 -21.5967 -21.5966 -21.5966 -19.1306 -19.1306 -19.1305 -19.1305 -8.3179 -8.3179 -8.3174 -8.3174 -5.3545 -5.3545 -5.3431 -5.3431 -4.6119 -4.6119 -4.5977 -4.5977 -4.3821 -4.3821 -4.3686 -4.3686 -2.0067 -2.0067 -2.0045 -2.0045 -1.3912 -1.3912 -1.3837 -1.3837 -0.4613 -0.4613 -0.4587 -0.4587 3.3981 3.3981 3.4014 3.4014 7.5448 7.5448 7.5487 7.5487 k = 0.0000 0.5003 0.2977 ( 4062 PWs) bands (ev): -21.5966 -21.5966 -21.5966 -21.5966 -19.1307 -19.1307 -19.1306 -19.1306 -8.3171 -8.3171 -8.3166 -8.3166 -5.3590 -5.3590 -5.3478 -5.3478 -4.6020 -4.6020 -4.5890 -4.5890 -4.3875 -4.3875 -4.3758 -4.3758 -2.0068 -2.0068 -2.0047 -2.0047 -1.3896 -1.3896 -1.3821 -1.3821 -0.4612 -0.4612 -0.4587 -0.4587 3.3996 3.3996 3.4030 3.4030 7.5400 7.5400 7.5439 7.5439 k = 0.0000 0.5003 0.3113 ( 4058 PWs) bands (ev): -21.5966 -21.5966 -21.5966 -21.5966 -19.1307 -19.1307 -19.1306 -19.1306 -8.3165 -8.3165 -8.3160 -8.3160 -5.3625 -5.3625 -5.3515 -5.3515 -4.5936 -4.5936 -4.5820 -4.5820 -4.3918 -4.3918 -4.3822 -4.3822 -2.0069 -2.0069 -2.0048 -2.0048 -1.3883 -1.3883 -1.3807 -1.3807 -0.4612 -0.4612 -0.4588 -0.4588 3.4008 3.4008 3.4042 3.4042 7.5362 7.5362 7.5401 7.5401 k = 0.0000 0.5003 0.3248 ( 4058 PWs) bands (ev): -21.5966 -21.5966 -21.5965 -21.5965 -19.1308 -19.1308 -19.1307 -19.1307 -8.3160 -8.3160 -8.3156 -8.3156 -5.3650 -5.3650 -5.3541 -5.3541 -4.5871 -4.5871 -4.5769 -4.5769 -4.3947 -4.3947 -4.3876 -4.3876 -2.0070 -2.0070 -2.0048 -2.0048 -1.3873 -1.3873 -1.3798 -1.3798 -0.4611 -0.4611 -0.4588 -0.4588 3.4016 3.4016 3.4050 3.4050 7.5335 7.5335 7.5374 7.5374 k = 0.0000 0.5003 0.3383 ( 4060 PWs) bands (ev): -21.5966 -21.5966 -21.5965 -21.5965 -19.1308 -19.1308 -19.1307 -19.1307 -8.3158 -8.3158 -8.3153 -8.3153 -5.3665 -5.3665 -5.3557 -5.3557 -4.5829 -4.5829 -4.5739 -4.5739 -4.3960 -4.3960 -4.3915 -4.3915 -2.0070 -2.0070 -2.0049 -2.0049 -1.3868 -1.3868 -1.3792 -1.3792 -0.4611 -0.4611 -0.4588 -0.4588 3.4022 3.4022 3.4056 3.4056 7.5319 7.5319 7.5357 7.5357 k = 0.0000 0.5003 0.3519 ( 4060 PWs) bands (ev): -21.5966 -21.5966 -21.5965 -21.5965 -19.1308 -19.1308 -19.1307 -19.1307 -8.3157 -8.3157 -8.3152 -8.3152 -5.3670 -5.3670 -5.3563 -5.3563 -4.5814 -4.5814 -4.5729 -4.5729 -4.3962 -4.3962 -4.3931 -4.3931 -2.0070 -2.0070 -2.0049 -2.0049 -1.3866 -1.3866 -1.3790 -1.3790 -0.4611 -0.4611 -0.4588 -0.4588 3.4023 3.4023 3.4057 3.4057 7.5313 7.5313 7.5352 7.5352 k = 0.0000 0.5003 0.3519 ( 4060 PWs) bands (ev): -21.5966 -21.5966 -21.5965 -21.5965 -19.1308 -19.1308 -19.1307 -19.1307 -8.3157 -8.3157 -8.3152 -8.3152 -5.3670 -5.3670 -5.3563 -5.3563 -4.5814 -4.5814 -4.5729 -4.5729 -4.3962 -4.3962 -4.3931 -4.3931 -2.0070 -2.0070 -2.0049 -2.0049 -1.3866 -1.3866 -1.3790 -1.3790 -0.4611 -0.4611 -0.4588 -0.4588 3.4023 3.4023 3.4057 3.4057 7.5313 7.5313 7.5352 7.5352 k = 0.0134 0.5003 0.3519 ( 4054 PWs) bands (ev): -21.5965 -21.5965 -21.5965 -21.5965 -19.1308 -19.1308 -19.1307 -19.1307 -8.3169 -8.3164 -8.3153 -8.3148 -5.3794 -5.3686 -5.3536 -5.3429 -4.6010 -4.5942 -4.5642 -4.5536 -4.3991 -4.3978 -4.3921 -4.3876 -2.0072 -2.0067 -2.0051 -2.0046 -1.3895 -1.3831 -1.3819 -1.3755 -0.4610 -0.4599 -0.4586 -0.4578 3.4024 3.4028 3.4059 3.4061 7.5285 7.5322 7.5342 7.5381 k = 0.0269 0.5003 0.3519 ( 4052 PWs) bands (ev): -21.5964 -21.5964 -21.5964 -21.5964 -19.1309 -19.1309 -19.1308 -19.1308 -8.3190 -8.3185 -8.3158 -8.3154 -5.3908 -5.3800 -5.3393 -5.3286 -4.6225 -4.6170 -4.5499 -4.5368 -4.4014 -4.4005 -4.3872 -4.3816 -2.0072 -2.0063 -2.0051 -2.0041 -1.3919 -1.3843 -1.3792 -1.3716 -0.4598 -0.4576 -0.4573 -0.4556 3.4029 3.4038 3.4066 3.4069 7.5257 7.5294 7.5371 7.5411 k = 0.0403 0.5003 0.3519 ( 4052 PWs) bands (ev): -21.5962 -21.5961 -21.5961 -21.5961 -19.1310 -19.1310 -19.1309 -19.1308 -8.3220 -8.3214 -8.3172 -8.3168 -5.4011 -5.3902 -5.3240 -5.3134 -4.6455 -4.6412 -4.5390 -4.5233 -4.4031 -4.3999 -4.3818 -4.3755 -2.0071 -2.0058 -2.0050 -2.0036 -1.3936 -1.3861 -1.3749 -1.3673 -0.4574 -0.4549 -0.4541 -0.4522 3.4039 3.4052 3.4077 3.4081 7.5229 7.5266 7.5400 7.5440 k = 0.0538 0.5003 0.3519 ( 4052 PWs) bands (ev): -21.5958 -21.5958 -21.5958 -21.5958 -19.1311 -19.1311 -19.1310 -19.1310 -8.3257 -8.3252 -8.3195 -8.3191 -5.4102 -5.3994 -5.3079 -5.2974 -4.6698 -4.6663 -4.5318 -4.5136 -4.4025 -4.3971 -4.3761 -4.3693 -2.0068 -2.0051 -2.0048 -2.0029 -1.3947 -1.3872 -1.3703 -1.3628 -0.4539 -0.4513 -0.4494 -0.4476 3.4054 3.4072 3.4094 3.4099 7.5204 7.5239 7.5427 7.5468 k = 0.0672 0.5003 0.3519 ( 4052 PWs) bands (ev): -21.5954 -21.5954 -21.5954 -21.5954 -19.1313 -19.1312 -19.1312 -19.1311 -8.3303 -8.3297 -8.3226 -8.3222 -5.4182 -5.4074 -5.2910 -5.2806 -4.6949 -4.6923 -4.5282 -4.5081 -4.3991 -4.3922 -4.3702 -4.3631 -2.0065 -2.0044 -2.0044 -2.0022 -1.3951 -1.3876 -1.3654 -1.3580 -0.4492 -0.4465 -0.4435 -0.4418 3.4074 3.4096 3.4115 3.4122 7.5179 7.5214 7.5453 7.5494 k = 0.0807 0.5003 0.3519 ( 4050 PWs) bands (ev): -21.5950 -21.5949 -21.5949 -21.5949 -19.1315 -19.1314 -19.1314 -19.1313 -8.3355 -8.3349 -8.3266 -8.3263 -5.4251 -5.4143 -5.2734 -5.2631 -4.7207 -4.7188 -4.5278 -4.5066 -4.3934 -4.3859 -4.3642 -4.3572 -2.0060 -2.0040 -2.0036 -2.0014 -1.3949 -1.3875 -1.3604 -1.3531 -0.4434 -0.4406 -0.4364 -0.4348 3.4100 3.4126 3.4142 3.4150 7.5156 7.5190 7.5477 7.5518 k = 0.0941 0.5003 0.3519 ( 4056 PWs) bands (ev): -21.5944 -21.5944 -21.5944 -21.5944 -19.1317 -19.1317 -19.1316 -19.1315 -8.3415 -8.3409 -8.3314 -8.3311 -5.4308 -5.4200 -5.2551 -5.2451 -4.7471 -4.7458 -4.5300 -4.5083 -4.3860 -4.3786 -4.3582 -4.3514 -2.0054 -2.0034 -2.0028 -2.0006 -1.3939 -1.3866 -1.3554 -1.3481 -0.4365 -0.4336 -0.4281 -0.4267 3.4130 3.4160 3.4173 3.4182 7.5134 7.5167 7.5498 7.5539 k = 0.1076 0.5003 0.3519 ( 4058 PWs) bands (ev): -21.5938 -21.5937 -21.5937 -21.5937 -19.1320 -19.1319 -19.1319 -19.1318 -8.3480 -8.3474 -8.3369 -8.3367 -5.4353 -5.4246 -5.2363 -5.2265 -4.7736 -4.7730 -4.5341 -4.5123 -4.3778 -4.3713 -4.3521 -4.3459 -2.0048 -2.0028 -2.0020 -1.9998 -1.3924 -1.3851 -1.3504 -1.3432 -0.4284 -0.4255 -0.4187 -0.4174 3.4167 3.4200 3.4210 3.4221 7.5114 7.5146 7.5516 7.5558 k = 0.1210 0.5003 0.3519 ( 4058 PWs) bands (ev): -21.5931 -21.5930 -21.5930 -21.5930 -19.1323 -19.1322 -19.1322 -19.1320 -8.3552 -8.3546 -8.3432 -8.3430 -5.4386 -5.4280 -5.2169 -5.2075 -4.8003 -4.8003 -4.5395 -4.5180 -4.3696 -4.3643 -4.3462 -4.3408 -2.0041 -2.0021 -2.0012 -1.9990 -1.3902 -1.3831 -1.3454 -1.3384 -0.4192 -0.4163 -0.4081 -0.4070 3.4208 3.4245 3.4252 3.4264 7.5095 7.5126 7.5531 7.5572 k = 0.1344 0.5003 0.3519 ( 4062 PWs) bands (ev): -21.5923 -21.5923 -21.5922 -21.5922 -19.1326 -19.1325 -19.1325 -19.1324 -8.3629 -8.3623 -8.3502 -8.3500 -5.4409 -5.4303 -5.1972 -5.1882 -4.8275 -4.8268 -4.5460 -4.5247 -4.3619 -4.3581 -4.3404 -4.3361 -2.0034 -2.0015 -2.0005 -1.9983 -1.3875 -1.3805 -1.3407 -1.3337 -0.4090 -0.4060 -0.3965 -0.3956 3.4255 3.4295 3.4300 3.4312 7.5077 7.5107 7.5541 7.5582 k = 0.1479 0.5003 0.3519 ( 4060 PWs) bands (ev): -21.5915 -21.5914 -21.5914 -21.5914 -19.1329 -19.1329 -19.1328 -19.1327 -8.3711 -8.3704 -8.3579 -8.3577 -5.4419 -5.4314 -5.1773 -5.1688 -4.8544 -4.8529 -4.5532 -4.5321 -4.3550 -4.3527 -4.3350 -4.3318 -2.0027 -2.0008 -1.9998 -1.9975 -1.3844 -1.3774 -1.3361 -1.3294 -0.3977 -0.3947 -0.3839 -0.3831 3.4308 3.4351 3.4353 3.4366 7.5061 7.5090 7.5546 7.5587 k = 0.1613 0.5003 0.3519 ( 4058 PWs) bands (ev): -21.5906 -21.5905 -21.5905 -21.5905 -19.1333 -19.1332 -19.1332 -19.1330 -8.3796 -8.3790 -8.3661 -8.3659 -5.4419 -5.4314 -5.1572 -5.1495 -4.8808 -4.8784 -4.5609 -4.5401 -4.3490 -4.3481 -4.3300 -4.3279 -2.0020 -2.0002 -1.9991 -1.9969 -1.3808 -1.3740 -1.3318 -1.3253 -0.3854 -0.3824 -0.3703 -0.3696 3.4366 3.4412 3.4412 3.4426 7.5045 7.5073 7.5546 7.5586 k = 0.1748 0.5003 0.3519 ( 4054 PWs) bands (ev): -21.5896 -21.5896 -21.5895 -21.5895 -19.1337 -19.1336 -19.1336 -19.1334 -8.3885 -8.3879 -8.3748 -8.3746 -5.4408 -5.4304 -5.1372 -5.1307 -4.9065 -4.9028 -4.5689 -4.5484 -4.3443 -4.3440 -4.3258 -4.3245 -2.0014 -1.9996 -1.9986 -1.9964 -1.3768 -1.3702 -1.3279 -1.3215 -0.3722 -0.3691 -0.3558 -0.3553 3.4430 3.4476 3.4478 3.4490 7.5030 7.5056 7.5540 7.5580 k = 0.1882 0.5003 0.3519 ( 4054 PWs) bands (ev): -21.5886 -21.5886 -21.5886 -21.5886 -19.1341 -19.1340 -19.1340 -19.1338 -8.3977 -8.3970 -8.3839 -8.3837 -5.4387 -5.4284 -5.1178 -5.1129 -4.9309 -4.9255 -4.5772 -4.5570 -4.3413 -4.3401 -4.3223 -4.3217 -2.0008 -1.9991 -1.9981 -1.9959 -1.3726 -1.3662 -1.3243 -1.3181 -0.3580 -0.3550 -0.3405 -0.3402 3.4500 3.4546 3.4549 3.4560 7.5015 7.5040 7.5529 7.5569 k = 0.2017 0.5003 0.3519 ( 4056 PWs) bands (ev): -21.5876 -21.5876 -21.5875 -21.5875 -19.1345 -19.1344 -19.1344 -19.1342 -8.4071 -8.4064 -8.3934 -8.3933 -5.4356 -5.4254 -5.0997 -5.0972 -4.9534 -4.9454 -4.5857 -4.5658 -4.3390 -4.3373 -4.3198 -4.3194 -2.0003 -1.9986 -1.9977 -1.9956 -1.3682 -1.3620 -1.3211 -1.3152 -0.3430 -0.3400 -0.3246 -0.3244 3.4574 3.4620 3.4626 3.4635 7.5000 7.5024 7.5512 7.5551 k = 0.2151 0.5003 0.3519 ( 4058 PWs) bands (ev): -21.5866 -21.5865 -21.5865 -21.5865 -19.1349 -19.1349 -19.1348 -19.1347 -8.4166 -8.4160 -8.4032 -8.4031 -5.4316 -5.4214 -5.0856 -5.0844 -4.9723 -4.9606 -4.5943 -4.5746 -4.3375 -4.3354 -4.3180 -4.3178 -1.9999 -1.9983 -1.9974 -1.9953 -1.3638 -1.3577 -1.3184 -1.3126 -0.3272 -0.3243 -0.3082 -0.3081 3.4654 3.4700 3.4707 3.4715 7.4985 7.5007 7.5489 7.5527 k = 0.2285 0.5003 0.3519 ( 4058 PWs) bands (ev): -21.5855 -21.5855 -21.5854 -21.5854 -19.1353 -19.1353 -19.1352 -19.1351 -8.4262 -8.4256 -8.4132 -8.4131 -5.4268 -5.4167 -5.0809 -5.0754 -4.9840 -4.9680 -4.6030 -4.5835 -4.3366 -4.3346 -4.3172 -4.3168 -1.9996 -1.9980 -1.9973 -1.9952 -1.3593 -1.3534 -1.3160 -1.3105 -0.3108 -0.3080 -0.2914 -0.2913 3.4739 3.4784 3.4793 3.4799 7.4970 7.4990 7.5460 7.5497 k = 0.2420 0.5003 0.3519 ( 4052 PWs) bands (ev): -21.5844 -21.5844 -21.5843 -21.5843 -19.1358 -19.1358 -19.1357 -19.1355 -8.4359 -8.4352 -8.4233 -8.4232 -5.4211 -5.4111 -5.0851 -5.0769 -4.9846 -4.9658 -4.6116 -4.5924 -4.3364 -4.3346 -4.3171 -4.3164 -1.9994 -1.9979 -1.9972 -1.9951 -1.3549 -1.3492 -1.3140 -1.3087 -0.2939 -0.2911 -0.2743 -0.2741 3.4828 3.4873 3.4883 3.4888 7.4953 7.4973 7.5425 7.5461 k = 0.2554 0.5003 0.3519 ( 4054 PWs) bands (ev): -21.5833 -21.5833 -21.5832 -21.5832 -19.1362 -19.1362 -19.1361 -19.1360 -8.4455 -8.4448 -8.4335 -8.4334 -5.4148 -5.4049 -5.0965 -5.0882 -4.9746 -4.9557 -4.6202 -4.6013 -4.3368 -4.3354 -4.3179 -4.3167 -1.9993 -1.9978 -1.9972 -1.9952 -1.3506 -1.3452 -1.3124 -1.3074 -0.2765 -0.2738 -0.2571 -0.2568 3.4921 3.4965 3.4977 3.4980 7.4936 7.4954 7.5385 7.5419 k = 0.2689 0.5003 0.3519 ( 4056 PWs) bands (ev): -21.5822 -21.5822 -21.5822 -21.5822 -19.1366 -19.1366 -19.1365 -19.1364 -8.4549 -8.4543 -8.4437 -8.4436 -5.4078 -5.3981 -5.1118 -5.1043 -4.9589 -4.9409 -4.6287 -4.6101 -4.3380 -4.3370 -4.3192 -4.3175 -1.9992 -1.9979 -1.9973 -1.9953 -1.3464 -1.3413 -1.3112 -1.3064 -0.2589 -0.2563 -0.2398 -0.2395 3.5018 3.5061 3.5074 3.5076 7.4918 7.4934 7.5340 7.5373 k = 0.2823 0.5003 0.3519 ( 4060 PWs) bands (ev): -21.5812 -21.5811 -21.5811 -21.5811 -19.1371 -19.1371 -19.1370 -19.1369 -8.4642 -8.4636 -8.4538 -8.4537 -5.4002 -5.3907 -5.1289 -5.1223 -4.9407 -4.9236 -4.6370 -4.6188 -4.3397 -4.3392 -4.3213 -4.3190 -1.9992 -1.9980 -1.9974 -1.9956 -1.3425 -1.3376 -1.3103 -1.3058 -0.2411 -0.2386 -0.2227 -0.2223 3.5117 3.5159 3.5174 3.5174 7.4899 7.4913 7.5290 7.5322 k = 0.2958 0.5003 0.3519 ( 4062 PWs) bands (ev): -21.5801 -21.5801 -21.5800 -21.5800 -19.1375 -19.1375 -19.1374 -19.1373 -8.4733 -8.4727 -8.4637 -8.4636 -5.3923 -5.3829 -5.1464 -5.1406 -4.9213 -4.9051 -4.6452 -4.6273 -4.3421 -4.3421 -4.3238 -4.3210 -1.9993 -1.9981 -1.9977 -1.9959 -1.3388 -1.3343 -1.3098 -1.3055 -0.2234 -0.2210 -0.2058 -0.2053 3.5219 3.5259 3.5274 3.5275 7.4878 7.4891 7.5237 7.5267 k = 0.3092 0.5003 0.3519 ( 4058 PWs) bands (ev): -21.5791 -21.5791 -21.5790 -21.5790 -19.1379 -19.1379 -19.1378 -19.1377 -8.4821 -8.4815 -8.4733 -8.4733 -5.3840 -5.3748 -5.1637 -5.1585 -4.9016 -4.8861 -4.6532 -4.6357 -4.3454 -4.3450 -4.3269 -4.3237 -1.9995 -1.9984 -1.9980 -1.9962 -1.3354 -1.3312 -1.3095 -1.3055 -0.2058 -0.2035 -0.1893 -0.1888 3.5321 3.5361 3.5375 3.5377 7.4856 7.4867 7.5181 7.5209 k = 0.3227 0.5003 0.3519 ( 4056 PWs) bands (ev): -21.5781 -21.5781 -21.5780 -21.5780 -19.1383 -19.1383 -19.1382 -19.1381 -8.4905 -8.4900 -8.4827 -8.4826 -5.3754 -5.3665 -5.1804 -5.1757 -4.8819 -4.8670 -4.6608 -4.6439 -4.3491 -4.3484 -4.3304 -4.3268 -1.9997 -1.9987 -1.9984 -1.9967 -1.3323 -1.3284 -1.3094 -1.3058 -0.1886 -0.1864 -0.1733 -0.1727 3.5424 3.5462 3.5476 3.5479 7.4833 7.4842 7.5122 7.5149 k = 0.3361 0.5003 0.3519 ( 4052 PWs) bands (ev): -21.5771 -21.5771 -21.5770 -21.5770 -19.1387 -19.1387 -19.1386 -19.1385 -8.4986 -8.4981 -8.4916 -8.4916 -5.3668 -5.3581 -5.1963 -5.1920 -4.8624 -4.8481 -4.6681 -4.6518 -4.3531 -4.3522 -4.3343 -4.3305 -2.0000 -1.9991 -1.9987 -1.9972 -1.3295 -1.3259 -1.3096 -1.3062 -0.1718 -0.1698 -0.1579 -0.1573 3.5526 3.5562 3.5577 3.5581 7.4808 7.4817 7.5062 7.5087 k = 0.3495 0.5003 0.3519 ( 4056 PWs) bands (ev): -21.5762 -21.5762 -21.5761 -21.5761 -19.1391 -19.1391 -19.1390 -19.1389 -8.5062 -8.5057 -8.5001 -8.5001 -5.3581 -5.3498 -5.2113 -5.2073 -4.8433 -4.8296 -4.6751 -4.6593 -4.3573 -4.3564 -4.3384 -4.3346 -2.0003 -1.9995 -1.9992 -1.9977 -1.3270 -1.3237 -1.3099 -1.3068 -0.1557 -0.1538 -0.1433 -0.1427 3.5627 3.5661 3.5675 3.5680 7.4783 7.4790 7.5002 7.5025 k = 0.3630 0.5003 0.3519 ( 4054 PWs) bands (ev): -21.5753 -21.5753 -21.5753 -21.5753 -19.1394 -19.1394 -19.1393 -19.1393 -8.5133 -8.5129 -8.5081 -8.5081 -5.3496 -5.3417 -5.2252 -5.2215 -4.8247 -4.8117 -4.6815 -4.6665 -4.3617 -4.3608 -4.3429 -4.3391 -2.0006 -1.9999 -1.9996 -1.9982 -1.3248 -1.3218 -1.3104 -1.3076 -0.1404 -0.1386 -0.1295 -0.1289 3.5724 3.5756 3.5770 3.5775 7.4757 7.4763 7.4942 7.4963 k = 0.3764 0.5003 0.3519 ( 4054 PWs) bands (ev): -21.5745 -21.5745 -21.5745 -21.5745 -19.1397 -19.1397 -19.1397 -19.1396 -8.5199 -8.5195 -8.5155 -8.5155 -5.3414 -5.3339 -5.2379 -5.2344 -4.8068 -4.7944 -4.6875 -4.6733 -4.3661 -4.3653 -4.3475 -4.3439 -2.0010 -2.0003 -2.0000 -1.9988 -1.3229 -1.3203 -1.3110 -1.3084 -0.1260 -0.1244 -0.1167 -0.1162 3.5817 3.5846 3.5861 3.5867 7.4731 7.4736 7.4884 7.4903 k = 0.3899 0.5003 0.3519 ( 4060 PWs) bands (ev): -21.5738 -21.5738 -21.5738 -21.5737 -19.1400 -19.1400 -19.1400 -19.1399 -8.5259 -8.5256 -8.5224 -8.5223 -5.3337 -5.3266 -5.2493 -5.2461 -4.7898 -4.7781 -4.6928 -4.6795 -4.3704 -4.3700 -4.3522 -4.3489 -2.0013 -2.0008 -2.0005 -1.9993 -1.3213 -1.3190 -1.3116 -1.3093 -0.1127 -0.1113 -0.1050 -0.1044 3.5904 3.5931 3.5947 3.5953 7.4705 7.4708 7.4827 7.4844 k = 0.4033 0.5003 0.3519 ( 4070 PWs) bands (ev): -21.5732 -21.5732 -21.5731 -21.5731 -19.1403 -19.1403 -19.1402 -19.1402 -8.5313 -8.5310 -8.5285 -8.5285 -5.3265 -5.3200 -5.2594 -5.2564 -4.7738 -4.7628 -4.6974 -4.6852 -4.3747 -4.3746 -4.3568 -4.3540 -2.0017 -2.0013 -2.0009 -1.9999 -1.3200 -1.3180 -1.3122 -1.3103 -0.1006 -0.0993 -0.0944 -0.0939 3.5985 3.6009 3.6026 3.6031 7.4680 7.4682 7.4774 7.4789 k = 0.4168 0.5003 0.3519 ( 4078 PWs) bands (ev): -21.5726 -21.5726 -21.5725 -21.5725 -19.1405 -19.1405 -19.1405 -19.1404 -8.5361 -8.5359 -8.5340 -8.5339 -5.3201 -5.3142 -5.2681 -5.2653 -4.7589 -4.7487 -4.7013 -4.6901 -4.3791 -4.3788 -4.3614 -4.3591 -2.0021 -2.0017 -2.0013 -2.0004 -1.3189 -1.3173 -1.3128 -1.3112 -0.0898 -0.0887 -0.0849 -0.0845 3.6059 3.6079 3.6097 3.6103 7.4655 7.4657 7.4725 7.4738 k = 0.4302 0.5003 0.3519 ( 4066 PWs) bands (ev): -21.5721 -21.5721 -21.5720 -21.5720 -19.1407 -19.1407 -19.1407 -19.1406 -8.5403 -8.5401 -8.5386 -8.5386 -5.3147 -5.3097 -5.2751 -5.2726 -4.7453 -4.7361 -4.7043 -4.6944 -4.3833 -4.3828 -4.3657 -4.3640 -2.0025 -2.0022 -2.0016 -2.0010 -1.3181 -1.3168 -1.3133 -1.3120 -0.0804 -0.0795 -0.0767 -0.0764 3.6124 3.6141 3.6160 3.6165 7.4632 7.4633 7.4681 7.4691 k = 0.4436 0.5003 0.3519 ( 4068 PWs) bands (ev): -21.5716 -21.5716 -21.5716 -21.5716 -19.1409 -19.1409 -19.1408 -19.1408 -8.5438 -8.5436 -8.5425 -8.5425 -5.3105 -5.3066 -5.2802 -5.2782 -4.7333 -4.7252 -4.7064 -4.6979 -4.3872 -4.3865 -4.3696 -4.3685 -2.0028 -2.0026 -2.0020 -2.0014 -1.3176 -1.3166 -1.3137 -1.3127 -0.0725 -0.0719 -0.0698 -0.0696 3.6179 3.6192 3.6214 3.6218 7.4611 7.4611 7.4642 7.4650 k = 0.4571 0.5003 0.3519 ( 4066 PWs) bands (ev): -21.5713 -21.5713 -21.5713 -21.5713 -19.1410 -19.1410 -19.1410 -19.1410 -8.5465 -8.5464 -8.5456 -8.5456 -5.3078 -5.3052 -5.2832 -5.2820 -4.7230 -4.7164 -4.7073 -4.7004 -4.3906 -4.3899 -4.3731 -4.3725 -2.0032 -2.0030 -2.0022 -2.0019 -1.3173 -1.3167 -1.3139 -1.3132 -0.0662 -0.0658 -0.0642 -0.0641 3.6224 3.6233 3.6257 3.6260 7.4592 7.4592 7.4610 7.4615 k = 0.4705 0.5003 0.3519 ( 4068 PWs) bands (ev): -21.5711 -21.5711 -21.5710 -21.5710 -19.1411 -19.1411 -19.1411 -19.1411 -8.5486 -8.5486 -8.5479 -8.5479 -5.3066 -5.3054 -5.2846 -5.2841 -4.7147 -4.7108 -4.7060 -4.7020 -4.3934 -4.3929 -4.3760 -4.3758 -2.0035 -2.0034 -2.0025 -2.0023 -1.3173 -1.3170 -1.3141 -1.3137 -0.0615 -0.0614 -0.0600 -0.0600 3.6258 3.6262 3.6289 3.6290 7.4575 7.4575 7.4585 7.4587 k = 0.4840 0.5003 0.3519 ( 4068 PWs) bands (ev): -21.5709 -21.5709 -21.5709 -21.5709 -19.1412 -19.1412 -19.1411 -19.1411 -8.5500 -8.5500 -8.5493 -8.5493 -5.3062 -5.3062 -5.2850 -5.2850 -4.7088 -4.7088 -4.7024 -4.7024 -4.3954 -4.3954 -4.3783 -4.3783 -2.0037 -2.0037 -2.0027 -2.0027 -1.3174 -1.3174 -1.3142 -1.3142 -0.0586 -0.0586 -0.0573 -0.0573 3.6280 3.6280 3.6309 3.6309 7.4560 7.4560 7.4568 7.4568 k = 0.4840 0.5003 0.3519 ( 4068 PWs) bands (ev): -21.5709 -21.5709 -21.5709 -21.5709 -19.1412 -19.1412 -19.1411 -19.1411 -8.5500 -8.5500 -8.5493 -8.5493 -5.3062 -5.3062 -5.2850 -5.2850 -4.7088 -4.7088 -4.7024 -4.7024 -4.3954 -4.3954 -4.3783 -4.3783 -2.0037 -2.0037 -2.0027 -2.0027 -1.3174 -1.3174 -1.3142 -1.3142 -0.0586 -0.0586 -0.0573 -0.0573 3.6280 3.6280 3.6309 3.6309 7.4560 7.4560 7.4568 7.4568 k = 0.4747 0.4907 0.3519 ( 4060 PWs) bands (ev): -21.5711 -21.5711 -21.5711 -21.5711 -19.1411 -19.1411 -19.1410 -19.1410 -8.5481 -8.5481 -8.5474 -8.5474 -5.3055 -5.3055 -5.2843 -5.2843 -4.7142 -4.7142 -4.7059 -4.7059 -4.3919 -4.3919 -4.3747 -4.3747 -2.0032 -2.0032 -2.0022 -2.0022 -1.3169 -1.3169 -1.3137 -1.3137 -0.0624 -0.0624 -0.0610 -0.0609 3.6254 3.6254 3.6284 3.6284 7.4586 7.4586 7.4594 7.4594 k = 0.4654 0.4810 0.3519 ( 4056 PWs) bands (ev): -21.5714 -21.5714 -21.5713 -21.5713 -19.1410 -19.1410 -19.1409 -19.1409 -8.5455 -8.5455 -8.5447 -8.5447 -5.3044 -5.3044 -5.2833 -5.2833 -4.7213 -4.7213 -4.7111 -4.7110 -4.3871 -4.3871 -4.3697 -4.3697 -2.0025 -2.0025 -2.0015 -2.0015 -1.3162 -1.3162 -1.3130 -1.3130 -0.0678 -0.0678 -0.0663 -0.0663 3.6218 3.6218 3.6248 3.6248 7.4623 7.4623 7.4633 7.4633 k = 0.4561 0.4714 0.3519 ( 4064 PWs) bands (ev): -21.5718 -21.5718 -21.5717 -21.5717 -19.1409 -19.1409 -19.1408 -19.1408 -8.5420 -8.5420 -8.5413 -8.5413 -5.3031 -5.3031 -5.2821 -5.2821 -4.7297 -4.7297 -4.7176 -4.7176 -4.3812 -4.3812 -4.3637 -4.3637 -2.0016 -2.0016 -2.0005 -2.0005 -1.3153 -1.3153 -1.3121 -1.3121 -0.0749 -0.0749 -0.0733 -0.0733 3.6170 3.6170 3.6200 3.6200 7.4671 7.4671 7.4683 7.4683 k = 0.4467 0.4618 0.3519 ( 4064 PWs) bands (ev): -21.5722 -21.5722 -21.5721 -21.5721 -19.1407 -19.1407 -19.1406 -19.1406 -8.5377 -8.5377 -8.5370 -8.5370 -5.3017 -5.3017 -5.2808 -5.2808 -4.7391 -4.7391 -4.7252 -4.7252 -4.3745 -4.3745 -4.3569 -4.3569 -2.0004 -2.0004 -1.9994 -1.9994 -1.3142 -1.3142 -1.3111 -1.3111 -0.0836 -0.0836 -0.0818 -0.0818 3.6111 3.6111 3.6142 3.6142 7.4731 7.4731 7.4744 7.4744 k = 0.4374 0.4522 0.3519 ( 4072 PWs) bands (ev): -21.5727 -21.5727 -21.5727 -21.5727 -19.1405 -19.1405 -19.1404 -19.1404 -8.5326 -8.5326 -8.5319 -8.5319 -5.3001 -5.3001 -5.2794 -5.2794 -4.7490 -4.7490 -4.7335 -4.7335 -4.3674 -4.3673 -4.3497 -4.3497 -1.9992 -1.9992 -1.9981 -1.9981 -1.3130 -1.3130 -1.3099 -1.3099 -0.0938 -0.0938 -0.0919 -0.0919 3.6042 3.6042 3.6074 3.6074 7.4802 7.4802 7.4816 7.4816 k = 0.4281 0.4426 0.3519 ( 4080 PWs) bands (ev): -21.5733 -21.5733 -21.5733 -21.5733 -19.1403 -19.1403 -19.1402 -19.1402 -8.5268 -8.5268 -8.5261 -8.5260 -5.2985 -5.2985 -5.2780 -5.2780 -4.7591 -4.7591 -4.7421 -4.7421 -4.3599 -4.3599 -4.3422 -4.3422 -1.9977 -1.9977 -1.9967 -1.9967 -1.3117 -1.3117 -1.3087 -1.3087 -0.1056 -0.1056 -0.1035 -0.1035 3.5963 3.5963 3.5995 3.5995 7.4884 7.4884 7.4899 7.4899 k = 0.4188 0.4329 0.3519 ( 4084 PWs) bands (ev): -21.5740 -21.5740 -21.5740 -21.5740 -19.1401 -19.1401 -19.1399 -19.1399 -8.5202 -8.5202 -8.5195 -8.5195 -5.2970 -5.2970 -5.2767 -5.2767 -4.7690 -4.7690 -4.7507 -4.7507 -4.3524 -4.3524 -4.3348 -4.3348 -1.9962 -1.9962 -1.9951 -1.9951 -1.3104 -1.3104 -1.3074 -1.3074 -0.1187 -0.1187 -0.1165 -0.1164 3.5874 3.5874 3.5906 3.5906 7.4975 7.4975 7.4993 7.4993 k = 0.4095 0.4233 0.3519 ( 4082 PWs) bands (ev): -21.5748 -21.5748 -21.5747 -21.5747 -19.1398 -19.1398 -19.1397 -19.1397 -8.5128 -8.5128 -8.5121 -8.5121 -5.2957 -5.2957 -5.2756 -5.2756 -4.7784 -4.7784 -4.7589 -4.7589 -4.3451 -4.3451 -4.3275 -4.3275 -1.9946 -1.9946 -1.9935 -1.9935 -1.3090 -1.3090 -1.3060 -1.3060 -0.1332 -0.1332 -0.1308 -0.1308 3.5775 3.5775 3.5809 3.5809 7.5077 7.5077 7.5097 7.5097 k = 0.4002 0.4137 0.3519 ( 4086 PWs) bands (ev): -21.5756 -21.5756 -21.5756 -21.5756 -19.1395 -19.1395 -19.1393 -19.1393 -8.5048 -8.5048 -8.5041 -8.5041 -5.2947 -5.2947 -5.2749 -5.2749 -4.7870 -4.7870 -4.7664 -4.7664 -4.3381 -4.3381 -4.3206 -4.3206 -1.9929 -1.9929 -1.9918 -1.9918 -1.3076 -1.3076 -1.3048 -1.3048 -0.1490 -0.1490 -0.1464 -0.1464 3.5668 3.5668 3.5702 3.5702 7.5188 7.5188 7.5210 7.5210 k = 0.3909 0.4041 0.3519 ( 4078 PWs) bands (ev): -21.5766 -21.5766 -21.5765 -21.5765 -19.1391 -19.1391 -19.1390 -19.1390 -8.4961 -8.4961 -8.4955 -8.4955 -5.2941 -5.2941 -5.2747 -5.2747 -4.7945 -4.7945 -4.7729 -4.7729 -4.3316 -4.3316 -4.3142 -4.3142 -1.9911 -1.9911 -1.9900 -1.9900 -1.3064 -1.3064 -1.3036 -1.3036 -0.1659 -0.1659 -0.1632 -0.1632 3.5553 3.5553 3.5587 3.5587 7.5309 7.5309 7.5332 7.5332 k = 0.3816 0.3944 0.3519 ( 4086 PWs) bands (ev): -21.5775 -21.5775 -21.5775 -21.5775 -19.1388 -19.1388 -19.1386 -19.1386 -8.4868 -8.4868 -8.4862 -8.4862 -5.2941 -5.2941 -5.2751 -5.2751 -4.8006 -4.8006 -4.7782 -4.7782 -4.3257 -4.3257 -4.3084 -4.3084 -1.9894 -1.9894 -1.9883 -1.9883 -1.3052 -1.3052 -1.3025 -1.3025 -0.1839 -0.1839 -0.1810 -0.1810 3.5429 3.5429 3.5464 3.5464 7.5437 7.5437 7.5463 7.5463 k = 0.3723 0.3848 0.3519 ( 4086 PWs) bands (ev): -21.5786 -21.5786 -21.5785 -21.5785 -19.1384 -19.1384 -19.1381 -19.1381 -8.4769 -8.4769 -8.4763 -8.4763 -5.2948 -5.2948 -5.2762 -5.2762 -4.8051 -4.8051 -4.7819 -4.7819 -4.3205 -4.3205 -4.3033 -4.3033 -1.9877 -1.9877 -1.9866 -1.9866 -1.3043 -1.3043 -1.3017 -1.3017 -0.2029 -0.2029 -0.1999 -0.1999 3.5298 3.5298 3.5333 3.5333 7.5574 7.5574 7.5602 7.5602 k = 0.3630 0.3752 0.3519 ( 4078 PWs) bands (ev): -21.5797 -21.5797 -21.5796 -21.5796 -19.1379 -19.1379 -19.1377 -19.1377 -8.4664 -8.4664 -8.4658 -8.4658 -5.2961 -5.2961 -5.2780 -5.2780 -4.8079 -4.8079 -4.7840 -4.7840 -4.3161 -4.3161 -4.2991 -4.2990 -1.9861 -1.9861 -1.9849 -1.9849 -1.3036 -1.3036 -1.3011 -1.3011 -0.2228 -0.2228 -0.2196 -0.2196 3.5161 3.5161 3.5196 3.5196 7.5717 7.5717 7.5748 7.5748 k = 0.3537 0.3656 0.3519 ( 4082 PWs) bands (ev): -21.5809 -21.5809 -21.5808 -21.5808 -19.1374 -19.1374 -19.1372 -19.1372 -8.4554 -8.4554 -8.4548 -8.4548 -5.2983 -5.2983 -5.2807 -5.2807 -4.8087 -4.8087 -4.7842 -4.7842 -4.3126 -4.3126 -4.2957 -4.2957 -1.9846 -1.9846 -1.9834 -1.9834 -1.3033 -1.3033 -1.3009 -1.3009 -0.2434 -0.2434 -0.2400 -0.2400 3.5017 3.5017 3.5052 3.5052 7.5868 7.5868 7.5901 7.5901 k = 0.3444 0.3560 0.3519 ( 4082 PWs) bands (ev): -21.5821 -21.5821 -21.5821 -21.5821 -19.1369 -19.1369 -19.1367 -19.1367 -8.4439 -8.4439 -8.4433 -8.4433 -5.3012 -5.3012 -5.2841 -5.2841 -4.8075 -4.8074 -4.7825 -4.7825 -4.3100 -4.3100 -4.2932 -4.2932 -1.9833 -1.9833 -1.9821 -1.9821 -1.3033 -1.3033 -1.3011 -1.3011 -0.2646 -0.2646 -0.2611 -0.2611 3.4868 3.4868 3.4902 3.4902 7.6023 7.6023 7.6059 7.6059 k = 0.3351 0.3463 0.3519 ( 4090 PWs) bands (ev): -21.5834 -21.5834 -21.5833 -21.5833 -19.1364 -19.1364 -19.1361 -19.1361 -8.4320 -8.4320 -8.4314 -8.4314 -5.3049 -5.3049 -5.2883 -5.2883 -4.8042 -4.8042 -4.7788 -4.7788 -4.3083 -4.3083 -4.2917 -4.2917 -1.9821 -1.9821 -1.9809 -1.9809 -1.3038 -1.3038 -1.3018 -1.3018 -0.2863 -0.2863 -0.2827 -0.2827 3.4714 3.4714 3.4748 3.4748 7.6184 7.6184 7.6223 7.6223 k = 0.3258 0.3367 0.3519 ( 4084 PWs) bands (ev): -21.5848 -21.5848 -21.5847 -21.5847 -19.1358 -19.1358 -19.1355 -19.1355 -8.4197 -8.4197 -8.4191 -8.4191 -5.3092 -5.3092 -5.2932 -5.2932 -4.7988 -4.7988 -4.7731 -4.7731 -4.3077 -4.3077 -4.2912 -4.2912 -1.9812 -1.9812 -1.9800 -1.9800 -1.3049 -1.3049 -1.3030 -1.3030 -0.3083 -0.3083 -0.3046 -0.3045 3.4555 3.4555 3.4588 3.4588 7.6349 7.6349 7.6391 7.6391 k = 0.3164 0.3271 0.3519 ( 4076 PWs) bands (ev): -21.5862 -21.5862 -21.5861 -21.5861 -19.1352 -19.1352 -19.1349 -19.1349 -8.4071 -8.4071 -8.4065 -8.4065 -5.3142 -5.3142 -5.2986 -5.2986 -4.7915 -4.7915 -4.7655 -4.7655 -4.3081 -4.3081 -4.2917 -4.2917 -1.9806 -1.9806 -1.9793 -1.9793 -1.3066 -1.3066 -1.3049 -1.3049 -0.3306 -0.3306 -0.3266 -0.3266 3.4391 3.4391 3.4424 3.4424 7.6517 7.6517 7.6562 7.6562 k = 0.3071 0.3175 0.3519 ( 4072 PWs) bands (ev): -21.5876 -21.5876 -21.5875 -21.5875 -19.1346 -19.1346 -19.1343 -19.1343 -8.3942 -8.3941 -8.3935 -8.3935 -5.3196 -5.3196 -5.3045 -5.3045 -4.7822 -4.7822 -4.7560 -4.7560 -4.3095 -4.3095 -4.2933 -4.2933 -1.9802 -1.9802 -1.9790 -1.9790 -1.3090 -1.3090 -1.3074 -1.3074 -0.3529 -0.3529 -0.3488 -0.3488 3.4225 3.4225 3.4257 3.4257 7.6688 7.6688 7.6735 7.6735 k = 0.2978 0.3079 0.3519 ( 4078 PWs) bands (ev): -21.5891 -21.5891 -21.5890 -21.5890 -19.1339 -19.1339 -19.1336 -19.1336 -8.3810 -8.3810 -8.3803 -8.3803 -5.3254 -5.3254 -5.3106 -5.3106 -4.7712 -4.7712 -4.7448 -4.7448 -4.3120 -4.3120 -4.2959 -4.2959 -1.9802 -1.9802 -1.9789 -1.9789 -1.3121 -1.3121 -1.3108 -1.3108 -0.3751 -0.3751 -0.3708 -0.3708 3.4055 3.4055 3.4087 3.4087 7.6860 7.6860 7.6910 7.6910 k = 0.2885 0.2982 0.3519 ( 4078 PWs) bands (ev): -21.5906 -21.5906 -21.5905 -21.5905 -19.1332 -19.1332 -19.1329 -19.1329 -8.3676 -8.3676 -8.3670 -8.3670 -5.3313 -5.3313 -5.3169 -5.3169 -4.7585 -4.7584 -4.7319 -4.7319 -4.3156 -4.3156 -4.2996 -4.2996 -1.9805 -1.9805 -1.9793 -1.9793 -1.3162 -1.3162 -1.3150 -1.3150 -0.3971 -0.3970 -0.3926 -0.3926 3.3884 3.3884 3.3914 3.3914 7.7033 7.7033 7.7086 7.7086 k = 0.2792 0.2886 0.3519 ( 4076 PWs) bands (ev): -21.5921 -21.5921 -21.5920 -21.5920 -19.1325 -19.1325 -19.1322 -19.1322 -8.3541 -8.3541 -8.3534 -8.3534 -5.3373 -5.3373 -5.3232 -5.3232 -4.7442 -4.7442 -4.7175 -4.7175 -4.3202 -4.3201 -4.3043 -4.3043 -1.9812 -1.9812 -1.9800 -1.9800 -1.3211 -1.3211 -1.3201 -1.3201 -0.4186 -0.4186 -0.4140 -0.4140 3.3710 3.3710 3.3739 3.3739 7.7206 7.7206 7.7262 7.7262 k = 0.2699 0.2790 0.3519 ( 4080 PWs) bands (ev): -21.5937 -21.5937 -21.5936 -21.5936 -19.1318 -19.1318 -19.1314 -19.1314 -8.3405 -8.3405 -8.3398 -8.3398 -5.3432 -5.3432 -5.3292 -5.3292 -4.7286 -4.7286 -4.7018 -4.7018 -4.3258 -4.3258 -4.3100 -4.3100 -1.9823 -1.9823 -1.9811 -1.9811 -1.3271 -1.3271 -1.3260 -1.3260 -0.4397 -0.4397 -0.4348 -0.4348 3.3535 3.3535 3.3563 3.3563 7.7378 7.7378 7.7436 7.7436 k = 0.2606 0.2694 0.3519 ( 4076 PWs) bands (ev): -21.5953 -21.5953 -21.5951 -21.5951 -19.1310 -19.1310 -19.1307 -19.1307 -8.3269 -8.3269 -8.3262 -8.3262 -5.3488 -5.3487 -5.3350 -5.3350 -4.7118 -4.7118 -4.6849 -4.6848 -4.3324 -4.3324 -4.3167 -4.3167 -1.9838 -1.9838 -1.9826 -1.9826 -1.3342 -1.3342 -1.3330 -1.3330 -0.4601 -0.4601 -0.4550 -0.4550 3.3360 3.3360 3.3387 3.3387 7.7548 7.7549 7.7610 7.7610 k = 0.2513 0.2598 0.3519 ( 4068 PWs) bands (ev): -21.5969 -21.5969 -21.5967 -21.5967 -19.1302 -19.1302 -19.1299 -19.1299 -8.3132 -8.3132 -8.3125 -8.3125 -5.3539 -5.3539 -5.3403 -5.3403 -4.6939 -4.6939 -4.6669 -4.6668 -4.3400 -4.3400 -4.3243 -4.3243 -1.9858 -1.9858 -1.9845 -1.9845 -1.3424 -1.3424 -1.3409 -1.3409 -0.4797 -0.4797 -0.4743 -0.4743 3.3184 3.3184 3.3210 3.3210 7.7718 7.7718 7.7781 7.7781 k = 0.2420 0.2501 0.3519 ( 4060 PWs) bands (ev): -21.5985 -21.5985 -21.5983 -21.5983 -19.1294 -19.1294 -19.1291 -19.1291 -8.2997 -8.2997 -8.2990 -8.2990 -5.3586 -5.3586 -5.3450 -5.3450 -4.6752 -4.6752 -4.6480 -4.6479 -4.3485 -4.3485 -4.3329 -4.3329 -1.9881 -1.9881 -1.9869 -1.9869 -1.3517 -1.3517 -1.3499 -1.3499 -0.4984 -0.4984 -0.4927 -0.4927 3.3008 3.3008 3.3033 3.3033 7.7885 7.7885 7.7950 7.7950 k = 0.2327 0.2405 0.3519 ( 4054 PWs) bands (ev): -21.6001 -21.6001 -21.5999 -21.5999 -19.1286 -19.1286 -19.1283 -19.1282 -8.2863 -8.2863 -8.2855 -8.2855 -5.3627 -5.3627 -5.3491 -5.3491 -4.6558 -4.6557 -4.6283 -4.6283 -4.3578 -4.3578 -4.3423 -4.3423 -1.9909 -1.9909 -1.9898 -1.9898 -1.3622 -1.3622 -1.3599 -1.3599 -0.5161 -0.5161 -0.5102 -0.5101 3.2834 3.2834 3.2857 3.2857 7.8049 7.8049 7.8117 7.8117 k = 0.2234 0.2309 0.3519 ( 4054 PWs) bands (ev): -21.6017 -21.6016 -21.6015 -21.6015 -19.1278 -19.1278 -19.1274 -19.1274 -8.2730 -8.2730 -8.2722 -8.2722 -5.3660 -5.3660 -5.3524 -5.3524 -4.6358 -4.6358 -4.6082 -4.6082 -4.3679 -4.3679 -4.3524 -4.3523 -1.9942 -1.9942 -1.9930 -1.9930 -1.3737 -1.3737 -1.3710 -1.3710 -0.5328 -0.5328 -0.5265 -0.5265 3.2661 3.2661 3.2683 3.2683 7.8212 7.8212 7.8280 7.8280 k = 0.2141 0.2213 0.3519 ( 4058 PWs) bands (ev): -21.6032 -21.6032 -21.6031 -21.6031 -19.1270 -19.1270 -19.1266 -19.1266 -8.2600 -8.2600 -8.2591 -8.2591 -5.3685 -5.3685 -5.3549 -5.3549 -4.6157 -4.6157 -4.5878 -4.5878 -4.3787 -4.3786 -4.3630 -4.3630 -1.9978 -1.9978 -1.9967 -1.9967 -1.3862 -1.3862 -1.3830 -1.3830 -0.5483 -0.5483 -0.5417 -0.5417 3.2490 3.2490 3.2510 3.2510 7.8372 7.8372 7.8441 7.8441 k = 0.2048 0.2117 0.3519 ( 4058 PWs) bands (ev): -21.6048 -21.6048 -21.6046 -21.6046 -19.1262 -19.1262 -19.1258 -19.1258 -8.2472 -8.2472 -8.2463 -8.2463 -5.3702 -5.3702 -5.3565 -5.3565 -4.5955 -4.5955 -4.5674 -4.5674 -4.3898 -4.3898 -4.3740 -4.3740 -2.0019 -2.0019 -2.0008 -2.0008 -1.3998 -1.3998 -1.3960 -1.3960 -0.5627 -0.5627 -0.5557 -0.5557 3.2321 3.2321 3.2340 3.2340 7.8529 7.8529 7.8599 7.8599 k = 0.1955 0.2020 0.3519 ( 4054 PWs) bands (ev): -21.6064 -21.6064 -21.6062 -21.6062 -19.1253 -19.1253 -19.1249 -19.1249 -8.2347 -8.2347 -8.2338 -8.2338 -5.3709 -5.3709 -5.3572 -5.3572 -4.5759 -4.5759 -4.5474 -4.5474 -4.4009 -4.4009 -4.3850 -4.3850 -2.0064 -2.0064 -2.0053 -2.0053 -1.4142 -1.4142 -1.4099 -1.4099 -0.5758 -0.5758 -0.5685 -0.5685 3.2156 3.2156 3.2173 3.2173 7.8685 7.8685 7.8755 7.8755 k = 0.1861 0.1924 0.3519 ( 4046 PWs) bands (ev): -21.6079 -21.6079 -21.6077 -21.6077 -19.1245 -19.1245 -19.1241 -19.1241 -8.2226 -8.2226 -8.2217 -8.2217 -5.3707 -5.3707 -5.3569 -5.3569 -4.5573 -4.5573 -4.5286 -4.5286 -4.4115 -4.4115 -4.3952 -4.3952 -2.0112 -2.0112 -2.0102 -2.0102 -1.4293 -1.4293 -1.4246 -1.4245 -0.5878 -0.5878 -0.5802 -0.5802 3.1994 3.1994 3.2010 3.2010 7.8838 7.8838 7.8908 7.8908 k = 0.1768 0.1828 0.3519 ( 4050 PWs) bands (ev): -21.6094 -21.6094 -21.6092 -21.6092 -19.1237 -19.1237 -19.1233 -19.1233 -8.2109 -8.2109 -8.2099 -8.2099 -5.3696 -5.3696 -5.3557 -5.3557 -4.5411 -4.5411 -4.5126 -4.5126 -4.4201 -4.4201 -4.4037 -4.4037 -2.0164 -2.0164 -2.0154 -2.0154 -1.4451 -1.4451 -1.4398 -1.4398 -0.5987 -0.5987 -0.5907 -0.5907 3.1836 3.1836 3.1851 3.1851 7.8990 7.8990 7.9059 7.9059 k = 0.1675 0.1732 0.3519 ( 4050 PWs) bands (ev): -21.6108 -21.6108 -21.6106 -21.6106 -19.1229 -19.1229 -19.1225 -19.1225 -8.1996 -8.1996 -8.1986 -8.1986 -5.3675 -5.3674 -5.3535 -5.3535 -4.5288 -4.5288 -4.5020 -4.5020 -4.4245 -4.4245 -4.4081 -4.4081 -2.0219 -2.0219 -2.0210 -2.0210 -1.4614 -1.4614 -1.4556 -1.4556 -0.6084 -0.6084 -0.6001 -0.6001 3.1682 3.1682 3.1697 3.1697 7.9139 7.9139 7.9208 7.9208 k = 0.1582 0.1636 0.3519 ( 4046 PWs) bands (ev): -21.6122 -21.6122 -21.6120 -21.6120 -19.1221 -19.1221 -19.1217 -19.1217 -8.1887 -8.1887 -8.1877 -8.1877 -5.3644 -5.3644 -5.3504 -5.3504 -4.5229 -4.5229 -4.4996 -4.4996 -4.4222 -4.4222 -4.4060 -4.4060 -2.0277 -2.0277 -2.0267 -2.0267 -1.4780 -1.4780 -1.4717 -1.4717 -0.6171 -0.6171 -0.6085 -0.6085 3.1534 3.1534 3.1547 3.1547 7.9286 7.9286 7.9354 7.9354 k = 0.1489 0.1539 0.3519 ( 4050 PWs) bands (ev): -21.6136 -21.6136 -21.6134 -21.6134 -19.1213 -19.1213 -19.1209 -19.1209 -8.1784 -8.1784 -8.1773 -8.1773 -5.3604 -5.3604 -5.3464 -5.3464 -4.5245 -4.5245 -4.5052 -4.5052 -4.4135 -4.4135 -4.3965 -4.3965 -2.0337 -2.0337 -2.0328 -2.0328 -1.4948 -1.4948 -1.4880 -1.4880 -0.6248 -0.6248 -0.6159 -0.6159 3.1392 3.1392 3.1404 3.1404 7.9431 7.9431 7.9497 7.9497 k = 0.1396 0.1443 0.3519 ( 4054 PWs) bands (ev): -21.6149 -21.6149 -21.6147 -21.6147 -19.1206 -19.1206 -19.1201 -19.1201 -8.1685 -8.1685 -8.1675 -8.1675 -5.3555 -5.3555 -5.3414 -5.3414 -4.5322 -4.5322 -4.5158 -4.5158 -4.4002 -4.4002 -4.3818 -4.3818 -2.0399 -2.0399 -2.0389 -2.0389 -1.5116 -1.5116 -1.5044 -1.5043 -0.6315 -0.6315 -0.6223 -0.6223 3.1255 3.1255 3.1266 3.1266 7.9574 7.9574 7.9638 7.9638 k = 0.1303 0.1347 0.3519 ( 4038 PWs) bands (ev): -21.6162 -21.6162 -21.6159 -21.6159 -19.1198 -19.1198 -19.1194 -19.1194 -8.1593 -8.1593 -8.1582 -8.1582 -5.3499 -5.3499 -5.3357 -5.3357 -4.5438 -4.5438 -4.5291 -4.5291 -4.3843 -4.3843 -4.3646 -4.3646 -2.0462 -2.0462 -2.0452 -2.0452 -1.5282 -1.5282 -1.5205 -1.5205 -0.6374 -0.6374 -0.6280 -0.6280 3.1125 3.1125 3.1136 3.1136 7.9713 7.9713 7.9776 7.9776 k = 0.1210 0.1251 0.3519 ( 4038 PWs) bands (ev): -21.6173 -21.6173 -21.6171 -21.6171 -19.1191 -19.1191 -19.1187 -19.1187 -8.1506 -8.1506 -8.1494 -8.1494 -5.3435 -5.3435 -5.3293 -5.3293 -4.5576 -4.5576 -4.5439 -4.5439 -4.3673 -4.3673 -4.3465 -4.3465 -2.0526 -2.0526 -2.0515 -2.0515 -1.5445 -1.5445 -1.5363 -1.5363 -0.6425 -0.6425 -0.6328 -0.6328 3.1002 3.1002 3.1012 3.1012 7.9849 7.9849 7.9910 7.9910 k = 0.1117 0.1154 0.3519 ( 4046 PWs) bands (ev): -21.6185 -21.6185 -21.6182 -21.6182 -19.1185 -19.1185 -19.1181 -19.1181 -8.1424 -8.1424 -8.1413 -8.1413 -5.3364 -5.3364 -5.3223 -5.3223 -4.5724 -4.5724 -4.5594 -4.5594 -4.3500 -4.3500 -4.3284 -4.3284 -2.0590 -2.0590 -2.0579 -2.0579 -1.5603 -1.5603 -1.5517 -1.5517 -0.6469 -0.6469 -0.6370 -0.6370 3.0886 3.0886 3.0896 3.0896 7.9981 7.9981 8.0039 8.0039 k = 0.1024 0.1058 0.3519 ( 4046 PWs) bands (ev): -21.6195 -21.6195 -21.6193 -21.6193 -19.1179 -19.1179 -19.1174 -19.1174 -8.1349 -8.1349 -8.1338 -8.1338 -5.3289 -5.3289 -5.3147 -5.3147 -4.5878 -4.5878 -4.5752 -4.5752 -4.3329 -4.3329 -4.3107 -4.3107 -2.0653 -2.0653 -2.0641 -2.0641 -1.5754 -1.5754 -1.5664 -1.5664 -0.6506 -0.6506 -0.6406 -0.6406 3.0778 3.0778 3.0787 3.0787 8.0107 8.0107 8.0164 8.0164 k = 0.0931 0.0962 0.3519 ( 4044 PWs) bands (ev): -21.6205 -21.6205 -21.6202 -21.6202 -19.1173 -19.1173 -19.1169 -19.1169 -8.1280 -8.1280 -8.1268 -8.1268 -5.3210 -5.3210 -5.3068 -5.3068 -4.6032 -4.6032 -4.5911 -4.5911 -4.3164 -4.3164 -4.2938 -4.2938 -2.0715 -2.0715 -2.0702 -2.0702 -1.5896 -1.5896 -1.5803 -1.5803 -0.6538 -0.6538 -0.6436 -0.6436 3.0677 3.0677 3.0687 3.0687 8.0228 8.0228 8.0282 8.0282 k = 0.0838 0.0866 0.3519 ( 4040 PWs) bands (ev): -21.6214 -21.6214 -21.6211 -21.6211 -19.1167 -19.1167 -19.1163 -19.1163 -8.1217 -8.1217 -8.1206 -8.1206 -5.3129 -5.3129 -5.2988 -5.2988 -4.6183 -4.6183 -4.6066 -4.6066 -4.3009 -4.3009 -4.2779 -4.2779 -2.0774 -2.0774 -2.0760 -2.0760 -1.6030 -1.6030 -1.5933 -1.5933 -0.6565 -0.6565 -0.6461 -0.6461 3.0586 3.0586 3.0596 3.0596 8.0341 8.0341 8.0393 8.0393 k = 0.0745 0.0770 0.3519 ( 4038 PWs) bands (ev): -21.6222 -21.6222 -21.6219 -21.6219 -19.1163 -19.1163 -19.1158 -19.1158 -8.1161 -8.1161 -8.1149 -8.1149 -5.3047 -5.3047 -5.2907 -5.2907 -4.6328 -4.6328 -4.6215 -4.6215 -4.2864 -4.2864 -4.2632 -4.2632 -2.0830 -2.0830 -2.0815 -2.0815 -1.6152 -1.6152 -1.6052 -1.6052 -0.6588 -0.6588 -0.6483 -0.6482 3.0503 3.0503 3.0513 3.0513 8.0446 8.0446 8.0496 8.0496 k = 0.0652 0.0673 0.3519 ( 4038 PWs) bands (ev): -21.6229 -21.6229 -21.6226 -21.6226 -19.1158 -19.1158 -19.1154 -19.1154 -8.1111 -8.1111 -8.1099 -8.1099 -5.2968 -5.2968 -5.2828 -5.2828 -4.6464 -4.6464 -4.6355 -4.6355 -4.2733 -4.2733 -4.2498 -4.2498 -2.0882 -2.0882 -2.0866 -2.0866 -1.6262 -1.6262 -1.6160 -1.6160 -0.6606 -0.6606 -0.6500 -0.6500 3.0429 3.0429 3.0439 3.0439 8.0543 8.0543 8.0590 8.0590 k = 0.0558 0.0577 0.3519 ( 4034 PWs) bands (ev): -21.6235 -21.6235 -21.6233 -21.6233 -19.1154 -19.1154 -19.1150 -19.1150 -8.1068 -8.1068 -8.1056 -8.1056 -5.2892 -5.2892 -5.2753 -5.2753 -4.6590 -4.6590 -4.6485 -4.6485 -4.2616 -4.2616 -4.2380 -4.2380 -2.0929 -2.0929 -2.0913 -2.0913 -1.6360 -1.6360 -1.6255 -1.6255 -0.6621 -0.6621 -0.6514 -0.6514 3.0365 3.0365 3.0375 3.0375 8.0629 8.0629 8.0674 8.0675 k = 0.0465 0.0481 0.3519 ( 4030 PWs) bands (ev): -21.6241 -21.6241 -21.6238 -21.6238 -19.1151 -19.1151 -19.1147 -19.1147 -8.1031 -8.1031 -8.1019 -8.1019 -5.2823 -5.2823 -5.2684 -5.2684 -4.6702 -4.6702 -4.6600 -4.6600 -4.2514 -4.2514 -4.2277 -4.2277 -2.0971 -2.0971 -2.0954 -2.0954 -1.6444 -1.6444 -1.6337 -1.6337 -0.6634 -0.6634 -0.6525 -0.6525 3.0310 3.0310 3.0320 3.0320 8.0704 8.0704 8.0748 8.0748 k = 0.0372 0.0385 0.3519 ( 4038 PWs) bands (ev): -21.6245 -21.6245 -21.6242 -21.6242 -19.1148 -19.1148 -19.1144 -19.1144 -8.1001 -8.1001 -8.0989 -8.0989 -5.2762 -5.2762 -5.2624 -5.2624 -4.6797 -4.6797 -4.6700 -4.6700 -4.2430 -4.2430 -4.2192 -4.2192 -2.1006 -2.1006 -2.0988 -2.0988 -1.6513 -1.6513 -1.6405 -1.6405 -0.6643 -0.6643 -0.6534 -0.6534 3.0265 3.0265 3.0275 3.0275 8.0766 8.0766 8.0809 8.0809 k = 0.0279 0.0289 0.3519 ( 4034 PWs) bands (ev): -21.6248 -21.6248 -21.6246 -21.6246 -19.1146 -19.1146 -19.1142 -19.1142 -8.0978 -8.0978 -8.0966 -8.0966 -5.2711 -5.2711 -5.2575 -5.2575 -4.6874 -4.6874 -4.6780 -4.6780 -4.2363 -4.2363 -4.2124 -4.2124 -2.1034 -2.1034 -2.1016 -2.1016 -1.6568 -1.6568 -1.6458 -1.6458 -0.6650 -0.6650 -0.6541 -0.6541 3.0229 3.0229 3.0239 3.0240 8.0816 8.0816 8.0857 8.0857 k = 0.0186 0.0192 0.3519 ( 4034 PWs) bands (ev): -21.6251 -21.6251 -21.6248 -21.6248 -19.1145 -19.1145 -19.1141 -19.1141 -8.0961 -8.0961 -8.0949 -8.0949 -5.2674 -5.2674 -5.2538 -5.2538 -4.6930 -4.6930 -4.6839 -4.6839 -4.2315 -4.2315 -4.2076 -4.2076 -2.1054 -2.1054 -2.1036 -2.1036 -1.6607 -1.6607 -1.6496 -1.6496 -0.6655 -0.6655 -0.6545 -0.6545 3.0204 3.0204 3.0214 3.0214 8.0852 8.0852 8.0892 8.0892 k = 0.0093 0.0096 0.3519 ( 4036 PWs) bands (ev): -21.6252 -21.6252 -21.6250 -21.6250 -19.1144 -19.1144 -19.1140 -19.1140 -8.0951 -8.0951 -8.0939 -8.0939 -5.2651 -5.2651 -5.2516 -5.2516 -4.6965 -4.6965 -4.6875 -4.6875 -4.2286 -4.2286 -4.2046 -4.2046 -2.1067 -2.1067 -2.1048 -2.1048 -1.6631 -1.6631 -1.6519 -1.6519 -0.6658 -0.6658 -0.6548 -0.6548 3.0189 3.0189 3.0199 3.0199 8.0874 8.0874 8.0913 8.0913 k = 0.0000 0.0000 0.3519 ( 4038 PWs) bands (ev): -21.6253 -21.6253 -21.6250 -21.6250 -19.1144 -19.1144 -19.1139 -19.1139 -8.0948 -8.0948 -8.0935 -8.0935 -5.2643 -5.2643 -5.2508 -5.2508 -4.6977 -4.6977 -4.6887 -4.6887 -4.2276 -4.2276 -4.2036 -4.2036 -2.1071 -2.1071 -2.1052 -2.1052 -1.6639 -1.6639 -1.6527 -1.6527 -0.6659 -0.6659 -0.6549 -0.6549 3.0184 3.0184 3.0194 3.0194 8.0881 8.0881 8.0920 8.0920 k = 0.0000 0.0000 0.3519 ( 4038 PWs) bands (ev): -21.6253 -21.6253 -21.6250 -21.6250 -19.1144 -19.1144 -19.1139 -19.1139 -8.0948 -8.0948 -8.0935 -8.0935 -5.2643 -5.2643 -5.2508 -5.2508 -4.6977 -4.6977 -4.6887 -4.6887 -4.2276 -4.2276 -4.2036 -4.2036 -2.1071 -2.1071 -2.1052 -2.1052 -1.6639 -1.6639 -1.6527 -1.6527 -0.6659 -0.6659 -0.6549 -0.6549 3.0184 3.0184 3.0194 3.0194 8.0881 8.0881 8.0920 8.0920 k = 0.0000 0.0000 0.3383 ( 4035 PWs) bands (ev): -21.6307 -21.6304 -21.6199 -21.6196 -19.1163 -19.1158 -19.1125 -19.1121 -8.1096 -8.1084 -8.0798 -8.0785 -5.2760 -5.2627 -5.2516 -5.2378 -4.7170 -4.7087 -4.6788 -4.6693 -4.2344 -4.2222 -4.2101 -4.1985 -2.1284 -2.1266 -2.0858 -2.0838 -1.6754 -1.6641 -1.6506 -1.6396 -0.6791 -0.6680 -0.6535 -0.6426 3.0069 3.0081 3.0300 3.0309 8.0344 8.0387 8.1396 8.1430 k = 0.0000 0.0000 0.3248 ( 4033 PWs) bands (ev): -21.6360 -21.6358 -21.6145 -21.6142 -19.1182 -19.1177 -19.1106 -19.1102 -8.1243 -8.1230 -8.0646 -8.0633 -5.2867 -5.2736 -5.2378 -5.2239 -4.7368 -4.7289 -4.6605 -4.6505 -4.2424 -4.2183 -4.2178 -4.1949 -2.1496 -2.1479 -2.0645 -2.0625 -1.6853 -1.6739 -1.6359 -1.6251 -0.6932 -0.6820 -0.6420 -0.6312 2.9957 2.9969 3.0417 3.0426 7.9789 7.9836 8.1883 8.1911 k = 0.0000 0.0000 0.3113 ( 4037 PWs) bands (ev): -21.6413 -21.6411 -21.6091 -21.6089 -19.1201 -19.1196 -19.1088 -19.1084 -8.1386 -8.1374 -8.0493 -8.0480 -5.2963 -5.2835 -5.2231 -5.2089 -4.7568 -4.7495 -4.6431 -4.6325 -4.2513 -4.2264 -4.2160 -4.1929 -2.1706 -2.1690 -2.0434 -2.0413 -1.6933 -1.6818 -1.6198 -1.6091 -0.7080 -0.6967 -0.6313 -0.6206 2.9848 2.9861 3.0535 3.0543 7.9221 7.9271 8.2335 8.2356 k = 0.0000 0.0000 0.2977 ( 4049 PWs) bands (ev): -21.6465 -21.6463 -21.6038 -21.6036 -19.1220 -19.1215 -19.1070 -19.1066 -8.1526 -8.1514 -8.0340 -8.0327 -5.3049 -5.2924 -5.2073 -5.1929 -4.7769 -4.7701 -4.6266 -4.6154 -4.2609 -4.2357 -4.2155 -4.1927 -2.1914 -2.1899 -2.0225 -2.0203 -1.6994 -1.6878 -1.6026 -1.5920 -0.7236 -0.7123 -0.6214 -0.6109 2.9742 2.9756 3.0654 3.0661 7.8645 7.8698 8.2745 8.2759 k = 0.0000 0.0000 0.2842 ( 4053 PWs) bands (ev): -21.6517 -21.6514 -21.5985 -21.5983 -19.1238 -19.1234 -19.1053 -19.1049 -8.1662 -8.1651 -8.0187 -8.0175 -5.3125 -5.3002 -5.1906 -5.1760 -4.7971 -4.7908 -4.6113 -4.5996 -4.2708 -4.2454 -4.2168 -4.1943 -2.2120 -2.2105 -2.0018 -1.9996 -1.7036 -1.6919 -1.5842 -1.5738 -0.7400 -0.7286 -0.6123 -0.6020 2.9641 2.9655 3.0772 3.0778 7.8066 7.8120 8.3108 8.3113 k = 0.0000 0.0000 0.2707 ( 4057 PWs) bands (ev): -21.6567 -21.6564 -21.5934 -21.5931 -19.1257 -19.1253 -19.1036 -19.1032 -8.1795 -8.1784 -8.0035 -8.0023 -5.3191 -5.3071 -5.1730 -5.1581 -4.8171 -4.8114 -4.5974 -4.5851 -4.2808 -4.2553 -4.2200 -4.1978 -2.2321 -2.2308 -1.9815 -1.9792 -1.7058 -1.6940 -1.5649 -1.5548 -0.7571 -0.7458 -0.6041 -0.5940 2.9543 2.9557 3.0889 3.0894 7.7487 7.7542 8.3414 8.3417 k = 0.0000 0.0000 0.2571 ( 4065 PWs) bands (ev): -21.6616 -21.6613 -21.5883 -21.5880 -19.1275 -19.1272 -19.1019 -19.1015 -8.1923 -8.1912 -7.9884 -7.9872 -5.3247 -5.3130 -5.1545 -5.1393 -4.8370 -4.8318 -4.5851 -4.5725 -4.2905 -4.2649 -4.2251 -4.2031 -2.2518 -2.2506 -1.9615 -1.9593 -1.7060 -1.6942 -1.5449 -1.5350 -0.7750 -0.7636 -0.5967 -0.5868 2.9449 2.9464 3.1004 3.1009 7.6912 7.6968 8.3657 8.3668 k = 0.0000 0.0000 0.2436 ( 4065 PWs) bands (ev): -21.6663 -21.6661 -21.5833 -21.5831 -19.1293 -19.1290 -19.1003 -19.0999 -8.2046 -8.2036 -7.9736 -7.9724 -5.3294 -5.3180 -5.1351 -5.1196 -4.8565 -4.8519 -4.5747 -4.5618 -4.2994 -4.2740 -4.2320 -4.2104 -2.2710 -2.2698 -1.9421 -1.9398 -1.7042 -1.6924 -1.5244 -1.5147 -0.7935 -0.7822 -0.5901 -0.5804 2.9361 2.9376 3.1117 3.1121 7.6345 7.6400 8.3841 8.3858 k = 0.0000 0.0000 0.2301 ( 4061 PWs) bands (ev): -21.6709 -21.6707 -21.5785 -21.5783 -19.1311 -19.1307 -19.0988 -19.0984 -8.2165 -8.2155 -7.9590 -7.9578 -5.3332 -5.3221 -5.1149 -5.0991 -4.8757 -4.8716 -4.5664 -4.5536 -4.3071 -4.2821 -4.2409 -4.2196 -2.2896 -2.2885 -1.9232 -1.9210 -1.7003 -1.6886 -1.5035 -1.4940 -0.8127 -0.8014 -0.5842 -0.5748 2.9277 2.9293 3.1228 3.1231 7.5789 7.5844 8.3970 8.3992 k = 0.0000 0.0000 0.2165 ( 4059 PWs) bands (ev): -21.6753 -21.6751 -21.5739 -21.5736 -19.1328 -19.1324 -19.0973 -19.0970 -8.2278 -8.2268 -7.9447 -7.9436 -5.3360 -5.3253 -5.0940 -5.0778 -4.8942 -4.8909 -4.5604 -4.5480 -4.3131 -4.2890 -4.2516 -4.2306 -2.3075 -2.3065 -1.9050 -1.9029 -1.6946 -1.6829 -1.4824 -1.4732 -0.8325 -0.8212 -0.5792 -0.5700 2.9199 2.9215 3.1336 3.1338 7.5247 7.5301 8.4051 8.4075 k = 0.0000 0.0000 0.2030 ( 4057 PWs) bands (ev): -21.6795 -21.6793 -21.5694 -21.5692 -19.1344 -19.1341 -19.0959 -19.0956 -8.2385 -8.2376 -7.9308 -7.9298 -5.3381 -5.3278 -5.0725 -5.0557 -4.9120 -4.9096 -4.5570 -4.5453 -4.3172 -4.2943 -4.2640 -4.2434 -2.3247 -2.3237 -1.8876 -1.8855 -1.6869 -1.6753 -1.4613 -1.4524 -0.8528 -0.8416 -0.5748 -0.5659 2.9126 2.9142 3.1439 3.1441 7.4722 7.4775 8.4091 8.4117 k = 0.0000 0.0000 0.1895 ( 4053 PWs) bands (ev): -21.6835 -21.6833 -21.5651 -21.5649 -19.1360 -19.1357 -19.0946 -19.0943 -8.2487 -8.2478 -7.9174 -7.9164 -5.3394 -5.3295 -5.0507 -5.0330 -4.9288 -4.9275 -4.5562 -4.5456 -4.3193 -4.2979 -4.2780 -4.2578 -2.3411 -2.3402 -1.8710 -1.8691 -1.6773 -1.6659 -1.4403 -1.4318 -0.8736 -0.8625 -0.5711 -0.5626 2.9059 2.9074 3.1539 3.1540 7.4217 7.4268 8.4101 8.4127 k = 0.0000 0.0000 0.1759 ( 4057 PWs) bands (ev): -21.6873 -21.6871 -21.5610 -21.5608 -19.1375 -19.1372 -19.0933 -19.0930 -8.2583 -8.2574 -7.9046 -7.9036 -5.3400 -5.3306 -5.0290 -5.0098 -4.9447 -4.9441 -4.5577 -4.5485 -4.3197 -4.3000 -4.2933 -4.2736 -2.3566 -2.3559 -1.8553 -1.8536 -1.6661 -1.6549 -1.4197 -1.4115 -0.8948 -0.8838 -0.5681 -0.5599 2.8997 2.9012 3.1634 3.1635 7.3736 7.3785 8.4088 8.4113 k = 0.0000 0.0000 0.1624 ( 4057 PWs) bands (ev): -21.6909 -21.6907 -21.5572 -21.5570 -19.1389 -19.1387 -19.0921 -19.0919 -8.2672 -8.2664 -7.8923 -7.8914 -5.3400 -5.3311 -5.0092 -4.9863 -4.9606 -4.9561 -4.5615 -4.5537 -4.3201 -4.3082 -4.3017 -4.2896 -2.3713 -2.3706 -1.8408 -1.8392 -1.6532 -1.6423 -1.3997 -1.3919 -0.9162 -0.9055 -0.5656 -0.5578 2.8940 2.8955 3.1723 3.1724 7.3279 7.3326 8.4060 8.4084 k = 0.0000 0.0000 0.1489 ( 4067 PWs) bands (ev): -21.6942 -21.6940 -21.5536 -21.5534 -19.1403 -19.1400 -19.0910 -19.0908 -8.2755 -8.2748 -7.8807 -7.8799 -5.3395 -5.3310 -4.9982 -4.9781 -4.9600 -4.9579 -4.5670 -4.5606 -4.3316 -4.3125 -4.3119 -4.2965 -2.3850 -2.3843 -1.8273 -1.8260 -1.6389 -1.6284 -1.3803 -1.3730 -0.9378 -0.9273 -0.5637 -0.5563 2.8889 2.8903 3.1807 3.1808 7.2850 7.2894 8.4022 8.4045 k = 0.0000 0.0000 0.1353 ( 4063 PWs) bands (ev): -21.6973 -21.6971 -21.5503 -21.5501 -19.1415 -19.1413 -19.0900 -19.0898 -8.2831 -8.2825 -7.8699 -7.8691 -5.3384 -5.3306 -5.0022 -4.9918 -4.9433 -4.9361 -4.5738 -4.5688 -4.3502 -4.3316 -4.3086 -4.2953 -2.3977 -2.3971 -1.8150 -1.8139 -1.6234 -1.6133 -1.3618 -1.3550 -0.9594 -0.9492 -0.5622 -0.5554 2.8843 2.8857 3.1885 3.1885 7.2451 7.2492 8.3979 8.4000 k = 0.0000 0.0000 0.1218 ( 4067 PWs) bands (ev): -21.7001 -21.6999 -21.5472 -21.5470 -19.1427 -19.1424 -19.0891 -19.0889 -8.2901 -8.2895 -7.8599 -7.8591 -5.3370 -5.3298 -5.0121 -5.0051 -4.9215 -4.9114 -4.5815 -4.5777 -4.3704 -4.3522 -4.3041 -4.2927 -2.4093 -2.4088 -1.8039 -1.8029 -1.6070 -1.5973 -1.3444 -1.3381 -0.9808 -0.9710 -0.5612 -0.5549 2.8802 2.8815 3.1957 3.1957 7.2084 7.2122 8.3934 8.3952 k = 0.0000 0.0000 0.1083 ( 4069 PWs) bands (ev): -21.7026 -21.7025 -21.5444 -21.5443 -19.1437 -19.1435 -19.0883 -19.0881 -8.2963 -8.2958 -7.8507 -7.8501 -5.3353 -5.3287 -5.0226 -5.0172 -4.8979 -4.8866 -4.5896 -4.5868 -4.3913 -4.3738 -4.2993 -4.2895 -2.4198 -2.4193 -1.7939 -1.7932 -1.5900 -1.5808 -1.3283 -1.3225 -1.0018 -0.9924 -0.5605 -0.5547 2.8767 2.8778 3.2022 3.2022 7.1751 7.1785 8.3888 8.3905 k = 0.0000 0.0000 0.0947 ( 4073 PWs) bands (ev): -21.7049 -21.7048 -21.5419 -21.5418 -19.1446 -19.1445 -19.0875 -19.0874 -8.3019 -8.3014 -7.8425 -7.8419 -5.3335 -5.3276 -5.0324 -5.0282 -4.8738 -4.8620 -4.5978 -4.5957 -4.4126 -4.3958 -4.2944 -4.2862 -2.4292 -2.4288 -1.7852 -1.7846 -1.5728 -1.5642 -1.3135 -1.3083 -1.0221 -1.0132 -0.5601 -0.5549 2.8736 2.8746 3.2079 3.2080 7.1453 7.1483 8.3845 8.3860 k = 0.0000 0.0000 0.0812 ( 4083 PWs) bands (ev): -21.7068 -21.7067 -21.5398 -21.5397 -19.1455 -19.1453 -19.0869 -19.0867 -8.3067 -8.3063 -7.8352 -7.8347 -5.3315 -5.3264 -5.0413 -5.0379 -4.8498 -4.8380 -4.6056 -4.6042 -4.4338 -4.4179 -4.2898 -4.2830 -2.4373 -2.4370 -1.7777 -1.7773 -1.5559 -1.5480 -1.3003 -1.2957 -1.0413 -1.0331 -0.5599 -0.5553 2.8710 2.8719 3.2130 3.2131 7.1192 7.1219 8.3806 8.3819 k = 0.0000 0.0000 0.0677 ( 4083 PWs) bands (ev): -21.7085 -21.7084 -21.5379 -21.5378 -19.1461 -19.1460 -19.0863 -19.0862 -8.3108 -8.3105 -7.8290 -7.8285 -5.3296 -5.3252 -5.0490 -5.0462 -4.8264 -4.8151 -4.6127 -4.6118 -4.4544 -4.4397 -4.2856 -4.2801 -2.4443 -2.4440 -1.7713 -1.7710 -1.5397 -1.5326 -1.2887 -1.2849 -1.0590 -1.0516 -0.5598 -0.5559 2.8688 2.8696 3.2174 3.2174 7.0970 7.0992 8.3771 8.3782 k = 0.0000 0.0000 0.0541 ( 4089 PWs) bands (ev): -21.7099 -21.7098 -21.5364 -21.5363 -19.1467 -19.1466 -19.0859 -19.0858 -8.3142 -8.3139 -7.8238 -7.8234 -5.3278 -5.3243 -5.0553 -5.0532 -4.8044 -4.7939 -4.6190 -4.6184 -4.4737 -4.4605 -4.2819 -4.2776 -2.4500 -2.4498 -1.7661 -1.7659 -1.5248 -1.5188 -1.2790 -1.2759 -1.0745 -1.0683 -0.5597 -0.5566 2.8671 2.8677 3.2209 3.2210 7.0786 7.0804 8.3742 8.3751 k = 0.0000 0.0000 0.0406 ( 4089 PWs) bands (ev): -21.7110 -21.7109 -21.5352 -21.5351 -19.1472 -19.1471 -19.0855 -19.0855 -8.3168 -8.3166 -7.8197 -7.8194 -5.3262 -5.3235 -5.0602 -5.0587 -4.7845 -4.7754 -4.6242 -4.6238 -4.4906 -4.4795 -4.2788 -4.2757 -2.4545 -2.4544 -1.7621 -1.7620 -1.5120 -1.5072 -1.2712 -1.2689 -1.0874 -1.0824 -0.5597 -0.5573 2.8658 2.8663 3.2237 3.2237 7.0643 7.0657 8.3719 8.3725 k = 0.0000 0.0000 0.0271 ( 4085 PWs) bands (ev): -21.7117 -21.7117 -21.5343 -21.5343 -19.1475 -19.1474 -19.0853 -19.0852 -8.3186 -8.3185 -7.8168 -7.8166 -5.3249 -5.3231 -5.0637 -5.0627 -4.7678 -4.7609 -4.6281 -4.6279 -4.5037 -4.4955 -4.2764 -4.2744 -2.4577 -2.4576 -1.7592 -1.7591 -1.5018 -1.4985 -1.2655 -1.2639 -1.0969 -1.0935 -0.5595 -0.5579 2.8649 2.8652 3.2257 3.2258 7.0541 7.0551 8.3703 8.3707 k = 0.0000 0.0000 0.0135 ( 4087 PWs) bands (ev): -21.7122 -21.7122 -21.5338 -21.5338 -19.1477 -19.1476 -19.0851 -19.0851 -8.3197 -8.3197 -7.8150 -7.8149 -5.3239 -5.3230 -5.0657 -5.0652 -4.7559 -4.7522 -4.6305 -4.6304 -4.5115 -4.5071 -4.2748 -4.2738 -2.4596 -2.4596 -1.7575 -1.7575 -1.4950 -1.4933 -1.2619 -1.2611 -1.1026 -1.1008 -0.5593 -0.5585 2.8644 2.8646 3.2270 3.2270 7.0481 7.0485 8.3693 8.3695 k = 0.0000 0.0000 0.0000 ( 4089 PWs) bands (ev): -21.7123 -21.7123 -21.5336 -21.5336 -19.1477 -19.1477 -19.0850 -19.0850 -8.3201 -8.3201 -7.8143 -7.8143 -5.3232 -5.3232 -5.0662 -5.0662 -4.7504 -4.7504 -4.6313 -4.6313 -4.5127 -4.5127 -4.2739 -4.2739 -2.4603 -2.4603 -1.7569 -1.7569 -1.4921 -1.4921 -1.2604 -1.2604 -1.1039 -1.1039 -0.5590 -0.5590 2.8643 2.8643 3.2274 3.2274 7.0462 7.0462 8.3691 8.3691 k = 0.0000 0.0000 0.0000 ( 4089 PWs) bands (ev): -21.7123 -21.7123 -21.5336 -21.5336 -19.1477 -19.1477 -19.0850 -19.0850 -8.3201 -8.3201 -7.8143 -7.8143 -5.3232 -5.3232 -5.0662 -5.0662 -4.7504 -4.7504 -4.6313 -4.6313 -4.5127 -4.5127 -4.2739 -4.2739 -2.4603 -2.4603 -1.7569 -1.7569 -1.4921 -1.4921 -1.2604 -1.2604 -1.1039 -1.1039 -0.5590 -0.5590 2.8643 2.8643 3.2274 3.2274 7.0462 7.0462 8.3691 8.3691 k =-0.0096 0.0093-0.0000 ( 4087 PWs) bands (ev): -21.7122 -21.7122 -21.5336 -21.5336 -19.1477 -19.1477 -19.0851 -19.0851 -8.3203 -8.3203 -7.8152 -7.8152 -5.3233 -5.3233 -5.0664 -5.0664 -4.7503 -4.7503 -4.6315 -4.6315 -4.5126 -4.5126 -4.2740 -4.2740 -2.4598 -2.4598 -1.7568 -1.7568 -1.4919 -1.4919 -1.2605 -1.2605 -1.1028 -1.1028 -0.5590 -0.5590 2.8652 2.8652 3.2273 3.2273 7.0453 7.0453 8.3698 8.3698 k =-0.0192 0.0186-0.0000 ( 4089 PWs) bands (ev): -21.7119 -21.7119 -21.5336 -21.5336 -19.1476 -19.1476 -19.0854 -19.0854 -8.3209 -8.3209 -7.8177 -7.8177 -5.3234 -5.3234 -5.0668 -5.0668 -4.7500 -4.7500 -4.6320 -4.6320 -4.5124 -4.5124 -4.2742 -4.2742 -2.4582 -2.4582 -1.7563 -1.7563 -1.4911 -1.4911 -1.2606 -1.2606 -1.0995 -1.0995 -0.5589 -0.5589 2.8678 2.8678 3.2272 3.2272 7.0424 7.0424 8.3721 8.3721 k =-0.0288 0.0279-0.0000 ( 4091 PWs) bands (ev): -21.7115 -21.7115 -21.5336 -21.5336 -19.1474 -19.1474 -19.0858 -19.0858 -8.3218 -8.3218 -7.8218 -7.8218 -5.3237 -5.3237 -5.0677 -5.0677 -4.7495 -4.7495 -4.6327 -4.6327 -4.5121 -4.5121 -4.2746 -4.2746 -2.4557 -2.4557 -1.7556 -1.7556 -1.4897 -1.4897 -1.2609 -1.2609 -1.0941 -1.0941 -0.5588 -0.5588 2.8722 2.8722 3.2271 3.2271 7.0377 7.0377 8.3759 8.3759 k =-0.0385 0.0372-0.0000 ( 4083 PWs) bands (ev): -21.7108 -21.7108 -21.5337 -21.5337 -19.1472 -19.1472 -19.0863 -19.0863 -8.3232 -8.3232 -7.8275 -7.8275 -5.3240 -5.3240 -5.0688 -5.0688 -4.7488 -4.7488 -4.6338 -4.6338 -4.5116 -4.5116 -4.2752 -4.2752 -2.4522 -2.4522 -1.7547 -1.7547 -1.4878 -1.4878 -1.2612 -1.2612 -1.0865 -1.0865 -0.5585 -0.5585 2.8783 2.8783 3.2270 3.2270 7.0311 7.0311 8.3812 8.3812 k =-0.0481 0.0465-0.0000 ( 4083 PWs) bands (ev): -21.7099 -21.7099 -21.5337 -21.5337 -19.1468 -19.1468 -19.0870 -19.0870 -8.3249 -8.3249 -7.8348 -7.8348 -5.3244 -5.3244 -5.0703 -5.0703 -4.7480 -4.7480 -4.6352 -4.6352 -4.5109 -4.5109 -4.2759 -4.2759 -2.4477 -2.4477 -1.7534 -1.7534 -1.4854 -1.4854 -1.2617 -1.2617 -1.0768 -1.0768 -0.5583 -0.5583 2.8861 2.8861 3.2268 3.2268 7.0227 7.0227 8.3879 8.3879 k =-0.0577 0.0558-0.0000 ( 4083 PWs) bands (ev): -21.7089 -21.7089 -21.5337 -21.5337 -19.1465 -19.1465 -19.0879 -19.0879 -8.3270 -8.3270 -7.8437 -7.8437 -5.3248 -5.3248 -5.0722 -5.0722 -4.7470 -4.7470 -4.6368 -4.6368 -4.5100 -4.5100 -4.2769 -4.2769 -2.4424 -2.4424 -1.7519 -1.7519 -1.4824 -1.4824 -1.2623 -1.2623 -1.0651 -1.0651 -0.5578 -0.5578 2.8955 2.8955 3.2267 3.2267 7.0126 7.0126 8.3961 8.3961 k =-0.0673 0.0651-0.0000 ( 4071 PWs) bands (ev): -21.7077 -21.7077 -21.5337 -21.5337 -19.1460 -19.1460 -19.0889 -19.0889 -8.3295 -8.3295 -7.8540 -7.8540 -5.3253 -5.3253 -5.0744 -5.0744 -4.7459 -4.7459 -4.6387 -4.6387 -4.5089 -4.5089 -4.2780 -4.2780 -2.4363 -2.4363 -1.7501 -1.7501 -1.4789 -1.4789 -1.2631 -1.2631 -1.0513 -1.0513 -0.5572 -0.5572 2.9066 2.9066 3.2267 3.2267 7.0008 7.0008 8.4057 8.4057 k =-0.0769 0.0744-0.0000 ( 4067 PWs) bands (ev): -21.7063 -21.7063 -21.5338 -21.5338 -19.1455 -19.1455 -19.0901 -19.0901 -8.3322 -8.3322 -7.8658 -7.8658 -5.3257 -5.3257 -5.0771 -5.0771 -4.7446 -4.7446 -4.6408 -4.6408 -4.5076 -4.5076 -4.2794 -4.2794 -2.4295 -2.4295 -1.7480 -1.7480 -1.4749 -1.4749 -1.2640 -1.2640 -1.0355 -1.0355 -0.5564 -0.5564 2.9192 2.9192 3.2268 3.2268 6.9874 6.9874 8.4167 8.4167 k =-0.0865 0.0837-0.0000 ( 4067 PWs) bands (ev): -21.7047 -21.7047 -21.5338 -21.5338 -19.1449 -19.1449 -19.0914 -19.0914 -8.3354 -8.3354 -7.8790 -7.8790 -5.3262 -5.3262 -5.0802 -5.0802 -4.7433 -4.7433 -4.6431 -4.6431 -4.5059 -4.5059 -4.2811 -4.2811 -2.4221 -2.4221 -1.7457 -1.7457 -1.4704 -1.4704 -1.2650 -1.2650 -1.0178 -1.0178 -0.5554 -0.5554 2.9334 2.9334 3.2270 3.2270 6.9725 6.9725 8.4290 8.4290 k =-0.0962 0.0930-0.0000 ( 4071 PWs) bands (ev): -21.7030 -21.7030 -21.5339 -21.5339 -19.1443 -19.1443 -19.0929 -19.0929 -8.3388 -8.3388 -7.8934 -7.8934 -5.3266 -5.3266 -5.0837 -5.0837 -4.7419 -4.7419 -4.6456 -4.6456 -4.5040 -4.5040 -4.2830 -4.2830 -2.4142 -2.4142 -1.7431 -1.7431 -1.4654 -1.4654 -1.2662 -1.2662 -0.9982 -0.9982 -0.5541 -0.5541 2.9490 2.9490 3.2275 3.2275 6.9562 6.9562 8.4425 8.4425 k =-0.1058 0.1023-0.0000 ( 4075 PWs) bands (ev): -21.7011 -21.7011 -21.5339 -21.5339 -19.1436 -19.1436 -19.0944 -19.0944 -8.3425 -8.3425 -7.9090 -7.9090 -5.3269 -5.3269 -5.0876 -5.0876 -4.7405 -4.7405 -4.6482 -4.6482 -4.5018 -4.5018 -4.2853 -4.2853 -2.4059 -2.4059 -1.7403 -1.7403 -1.4598 -1.4598 -1.2676 -1.2676 -0.9769 -0.9769 -0.5524 -0.5524 2.9661 2.9661 3.2283 3.2283 6.9385 6.9385 8.4574 8.4574 k =-0.1154 0.1116-0.0000 ( 4071 PWs) bands (ev): -21.6990 -21.6990 -21.5340 -21.5340 -19.1429 -19.1429 -19.0961 -19.0961 -8.3465 -8.3465 -7.9258 -7.9258 -5.3272 -5.3272 -5.0920 -5.0920 -4.7390 -4.7390 -4.6509 -4.6509 -4.4992 -4.4992 -4.2879 -4.2879 -2.3973 -2.3973 -1.7372 -1.7372 -1.4538 -1.4538 -1.2692 -1.2692 -0.9539 -0.9539 -0.5503 -0.5503 2.9844 2.9844 3.2294 3.2294 6.9197 6.9197 8.4733 8.4733 k =-0.1250 0.1209-0.0000 ( 4071 PWs) bands (ev): -21.6968 -21.6968 -21.5340 -21.5340 -19.1421 -19.1421 -19.0980 -19.0980 -8.3507 -8.3507 -7.9436 -7.9436 -5.3272 -5.3272 -5.0969 -5.0969 -4.7376 -4.7376 -4.6538 -4.6538 -4.4962 -4.4962 -4.2908 -4.2908 -2.3886 -2.3886 -1.7340 -1.7340 -1.4473 -1.4473 -1.2710 -1.2710 -0.9293 -0.9293 -0.5478 -0.5478 3.0040 3.0040 3.2308 3.2308 6.8997 6.8997 8.4904 8.4904 k =-0.1346 0.1302-0.0000 ( 4073 PWs) bands (ev): -21.6945 -21.6945 -21.5341 -21.5341 -19.1412 -19.1412 -19.0999 -19.0999 -8.3552 -8.3552 -7.9623 -7.9623 -5.3272 -5.3272 -5.1022 -5.1022 -4.7362 -4.7362 -4.6566 -4.6566 -4.4929 -4.4929 -4.2942 -4.2942 -2.3798 -2.3798 -1.7305 -1.7305 -1.4403 -1.4403 -1.2730 -1.2730 -0.9031 -0.9031 -0.5447 -0.5447 3.0247 3.0247 3.2328 3.2328 6.8786 6.8786 8.5086 8.5086 k =-0.1442 0.1395-0.0000 ( 4073 PWs) bands (ev): -21.6921 -21.6921 -21.5342 -21.5342 -19.1403 -19.1403 -19.1019 -19.1019 -8.3599 -8.3599 -7.9820 -7.9820 -5.3269 -5.3269 -5.1080 -5.1080 -4.7348 -4.7348 -4.6596 -4.6596 -4.4891 -4.4891 -4.2979 -4.2979 -2.3712 -2.3712 -1.7268 -1.7268 -1.4329 -1.4329 -1.2752 -1.2752 -0.8756 -0.8756 -0.5410 -0.5410 3.0466 3.0466 3.2352 3.2352 6.8567 6.8567 8.5277 8.5277 k =-0.1538 0.1488-0.0000 ( 4067 PWs) bands (ev): -21.6895 -21.6895 -21.5342 -21.5342 -19.1394 -19.1394 -19.1041 -19.1041 -8.3648 -8.3648 -8.0023 -8.0023 -5.3264 -5.3264 -5.1142 -5.1142 -4.7335 -4.7335 -4.6625 -4.6625 -4.4850 -4.4850 -4.3022 -4.3022 -2.3627 -2.3627 -1.7230 -1.7230 -1.4250 -1.4250 -1.2776 -1.2776 -0.8467 -0.8467 -0.5367 -0.5367 3.0694 3.0694 3.2382 3.2382 6.8340 6.8340 8.5477 8.5477 k =-0.1635 0.1581-0.0000 ( 4059 PWs) bands (ev): -21.6868 -21.6868 -21.5343 -21.5343 -19.1384 -19.1384 -19.1063 -19.1063 -8.3698 -8.3698 -8.0234 -8.0234 -5.3256 -5.3256 -5.1209 -5.1209 -4.7323 -4.7323 -4.6653 -4.6653 -4.4804 -4.4804 -4.3068 -4.3068 -2.3546 -2.3546 -1.7189 -1.7189 -1.4166 -1.4166 -1.2803 -1.2803 -0.8166 -0.8166 -0.5317 -0.5317 3.0931 3.0931 3.2418 3.2418 6.8105 6.8105 8.5686 8.5686 k =-0.1731 0.1674-0.0000 ( 4067 PWs) bands (ev): -21.6840 -21.6840 -21.5344 -21.5344 -19.1374 -19.1374 -19.1086 -19.1086 -8.3750 -8.3750 -8.0450 -8.0450 -5.3245 -5.3245 -5.1281 -5.1281 -4.7312 -4.7312 -4.6682 -4.6682 -4.4755 -4.4755 -4.3120 -4.3120 -2.3470 -2.3470 -1.7147 -1.7147 -1.4079 -1.4079 -1.2832 -1.2832 -0.7855 -0.7855 -0.5259 -0.5259 3.1176 3.1176 3.2460 3.2460 6.7865 6.7865 8.5903 8.5903 k =-0.1827 0.1767-0.0000 ( 4071 PWs) bands (ev): -21.6811 -21.6811 -21.5344 -21.5344 -19.1363 -19.1363 -19.1110 -19.1110 -8.3803 -8.3803 -8.0672 -8.0672 -5.3231 -5.3231 -5.1356 -5.1356 -4.7302 -4.7302 -4.6709 -4.6709 -4.4702 -4.4702 -4.3177 -4.3177 -2.3400 -2.3400 -1.7104 -1.7104 -1.3988 -1.3988 -1.2864 -1.2864 -0.7533 -0.7533 -0.5193 -0.5193 3.1428 3.1428 3.2508 3.2508 6.7619 6.7619 8.6127 8.6127 k =-0.1923 0.1860-0.0000 ( 4069 PWs) bands (ev): -21.6781 -21.6781 -21.5345 -21.5345 -19.1353 -19.1353 -19.1134 -19.1134 -8.3858 -8.3858 -8.0897 -8.0897 -5.3214 -5.3214 -5.1435 -5.1435 -4.7293 -4.7293 -4.6735 -4.6735 -4.4645 -4.4645 -4.3239 -4.3239 -2.3336 -2.3336 -1.7059 -1.7059 -1.3893 -1.3893 -1.2897 -1.2897 -0.7203 -0.7203 -0.5119 -0.5119 3.1685 3.1685 3.2564 3.2564 6.7369 6.7369 8.6358 8.6358 k =-0.2019 0.1953-0.0000 ( 4067 PWs) bands (ev): -21.6751 -21.6751 -21.5346 -21.5346 -19.1342 -19.1342 -19.1159 -19.1159 -8.3912 -8.3912 -8.1125 -8.1125 -5.3192 -5.3192 -5.1518 -5.1518 -4.7286 -4.7286 -4.6760 -4.6760 -4.4584 -4.4584 -4.3307 -4.3307 -2.3280 -2.3280 -1.7013 -1.7013 -1.3795 -1.3795 -1.2933 -1.2933 -0.6865 -0.6865 -0.5036 -0.5036 3.1948 3.1948 3.2628 3.2628 6.7116 6.7116 8.6594 8.6594 k =-0.2115 0.2046-0.0000 ( 4071 PWs) bands (ev): -21.6720 -21.6720 -21.5347 -21.5347 -19.1331 -19.1331 -19.1185 -19.1185 -8.3968 -8.3968 -8.1355 -8.1355 -5.3167 -5.3167 -5.1604 -5.1604 -4.7280 -4.7280 -4.6783 -4.6783 -4.4521 -4.4521 -4.3380 -4.3380 -2.3233 -2.3233 -1.6966 -1.6966 -1.3693 -1.3693 -1.2972 -1.2972 -0.6522 -0.6522 -0.4945 -0.4945 3.2214 3.2214 3.2699 3.2699 6.6861 6.6861 8.6836 8.6836 k =-0.2212 0.2140-0.0000 ( 4075 PWs) bands (ev): -21.6688 -21.6688 -21.5348 -21.5348 -19.1319 -19.1319 -19.1210 -19.1210 -8.4023 -8.4023 -8.1587 -8.1587 -5.3137 -5.3137 -5.1693 -5.1693 -4.7276 -4.7276 -4.6804 -4.6804 -4.4455 -4.4455 -4.3458 -4.3458 -2.3195 -2.3195 -1.6919 -1.6919 -1.3589 -1.3589 -1.3012 -1.3012 -0.6173 -0.6173 -0.4844 -0.4844 3.2481 3.2481 3.2778 3.2778 6.6604 6.6604 8.7082 8.7082 k =-0.2308 0.2233-0.0000 ( 4067 PWs) bands (ev): -21.6656 -21.6656 -21.5349 -21.5349 -19.1308 -19.1308 -19.1236 -19.1236 -8.4079 -8.4079 -8.1818 -8.1818 -5.3103 -5.3103 -5.1784 -5.1784 -4.7273 -4.7273 -4.6824 -4.6824 -4.4386 -4.4386 -4.3542 -4.3542 -2.3167 -2.3167 -1.6870 -1.6870 -1.3482 -1.3482 -1.3054 -1.3054 -0.5821 -0.5821 -0.4735 -0.4735 3.2746 3.2746 3.2869 3.2869 6.6347 6.6347 8.7331 8.7331 k =-0.2404 0.2326-0.0000 ( 4067 PWs) bands (ev): -21.6624 -21.6624 -21.5350 -21.5350 -19.1296 -19.1296 -19.1263 -19.1263 -8.4135 -8.4135 -8.2050 -8.2050 -5.3065 -5.3065 -5.1877 -5.1877 -4.7272 -4.7272 -4.6841 -4.6841 -4.4315 -4.4315 -4.3631 -4.3631 -2.3149 -2.3149 -1.6821 -1.6821 -1.3374 -1.3374 -1.3098 -1.3098 -0.5466 -0.5466 -0.4617 -0.4617 3.2939 3.2939 3.3040 3.3040 6.6090 6.6090 8.7584 8.7584 k =-0.2500 0.2419-0.0000 ( 4073 PWs) bands (ev): -21.6591 -21.6591 -21.5351 -21.5351 -19.1289 -19.1289 -19.1284 -19.1284 -8.4190 -8.4190 -8.2279 -8.2279 -5.3022 -5.3022 -5.1971 -5.1971 -4.7272 -4.7272 -4.6857 -4.6857 -4.4244 -4.4244 -4.3725 -4.3725 -2.3141 -2.3141 -1.6772 -1.6772 -1.3266 -1.3266 -1.3141 -1.3141 -0.5111 -0.5111 -0.4491 -0.4491 3.3046 3.3046 3.3302 3.3302 6.5834 6.5834 8.7838 8.7838 k =-0.2596 0.2512-0.0000 ( 4069 PWs) bands (ev): -21.6559 -21.6559 -21.5352 -21.5352 -19.1315 -19.1315 -19.1273 -19.1273 -8.4245 -8.4245 -8.2507 -8.2507 -5.2974 -5.2974 -5.2066 -5.2066 -4.7274 -4.7274 -4.6870 -4.6870 -4.4173 -4.4173 -4.3821 -4.3821 -2.3143 -2.3143 -1.6723 -1.6723 -1.3207 -1.3207 -1.3134 -1.3134 -0.4755 -0.4755 -0.4357 -0.4357 3.3153 3.3153 3.3570 3.3570 6.5580 6.5580 8.8094 8.8094 k =-0.2692 0.2605-0.0000 ( 4067 PWs) bands (ev): -21.6527 -21.6527 -21.5352 -21.5352 -19.1342 -19.1342 -19.1261 -19.1261 -8.4299 -8.4299 -8.2732 -8.2732 -5.2921 -5.2921 -5.2162 -5.2162 -4.7277 -4.7277 -4.6880 -4.6880 -4.4112 -4.4112 -4.3913 -4.3913 -2.3155 -2.3155 -1.6674 -1.6674 -1.3248 -1.3248 -1.3029 -1.3029 -0.4401 -0.4401 -0.4216 -0.4216 3.3266 3.3266 3.3835 3.3835 6.5329 6.5329 8.8016 8.8050 k =-0.2788 0.2698-0.0000 ( 4065 PWs) bands (ev): -21.6495 -21.6495 -21.5353 -21.5353 -19.1367 -19.1367 -19.1250 -19.1250 -8.4352 -8.4352 -8.2953 -8.2953 -5.2864 -5.2864 -5.2257 -5.2257 -4.7281 -4.7281 -4.6889 -4.6889 -4.4106 -4.4106 -4.3954 -4.3954 -2.3178 -2.3178 -1.6625 -1.6625 -1.3296 -1.3296 -1.2915 -1.2915 -0.4069 -0.4069 -0.4049 -0.4049 3.3384 3.3384 3.4098 3.4098 6.5081 6.5081 8.7415 8.7415 k =-0.2885 0.2791-0.0000 ( 4055 PWs) bands (ev): -21.6463 -21.6463 -21.5354 -21.5354 -19.1393 -19.1393 -19.1238 -19.1238 -8.4404 -8.4404 -8.3170 -8.3170 -5.2803 -5.2803 -5.2350 -5.2350 -4.7286 -4.7286 -4.6895 -4.6895 -4.4192 -4.4192 -4.3907 -4.3907 -2.3209 -2.3209 -1.6576 -1.6576 -1.3347 -1.3347 -1.2800 -1.2800 -0.3915 -0.3915 -0.3702 -0.3702 3.3507 3.3507 3.4356 3.4356 6.4837 6.4837 8.6824 8.6824 k =-0.2981 0.2884-0.0000 ( 4055 PWs) bands (ev): -21.6431 -21.6431 -21.5355 -21.5355 -19.1418 -19.1418 -19.1227 -19.1227 -8.4455 -8.4455 -8.3382 -8.3382 -5.2741 -5.2741 -5.2440 -5.2440 -4.7293 -4.7293 -4.6899 -4.6899 -4.4306 -4.4306 -4.3838 -4.3838 -2.3249 -2.3249 -1.6528 -1.6528 -1.3398 -1.3398 -1.2685 -1.2685 -0.3757 -0.3757 -0.3360 -0.3360 3.3634 3.3634 3.4608 3.4608 6.4599 6.4599 8.6248 8.6248 k =-0.3077 0.2977-0.0000 ( 4053 PWs) bands (ev): -21.6401 -21.6401 -21.5356 -21.5356 -19.1443 -19.1443 -19.1216 -19.1216 -8.4505 -8.4505 -8.3588 -8.3588 -5.2685 -5.2685 -5.2517 -5.2517 -4.7301 -4.7301 -4.6900 -4.6900 -4.4429 -4.4429 -4.3764 -4.3764 -2.3297 -2.3297 -1.6481 -1.6481 -1.3450 -1.3450 -1.2570 -1.2570 -0.3596 -0.3596 -0.3024 -0.3024 3.3764 3.3764 3.4854 3.4854 6.4366 6.4366 8.5690 8.5690 k =-0.3173 0.3070-0.0000 ( 4059 PWs) bands (ev): -21.6370 -21.6370 -21.5357 -21.5357 -19.1467 -19.1467 -19.1206 -19.1206 -8.4552 -8.4552 -8.3788 -8.3788 -5.2682 -5.2682 -5.2535 -5.2535 -4.7309 -4.7309 -4.6900 -4.6900 -4.4558 -4.4558 -4.3690 -4.3690 -2.3352 -2.3352 -1.6435 -1.6435 -1.3501 -1.3501 -1.2457 -1.2457 -0.3433 -0.3433 -0.2696 -0.2696 3.3897 3.3897 3.5093 3.5093 6.4139 6.4139 8.5149 8.5149 k =-0.3269 0.3163-0.0000 ( 4055 PWs) bands (ev): -21.6341 -21.6341 -21.5358 -21.5358 -19.1491 -19.1491 -19.1195 -19.1195 -8.4599 -8.4599 -8.3981 -8.3981 -5.2749 -5.2749 -5.2477 -5.2477 -4.7318 -4.7318 -4.6898 -4.6898 -4.4690 -4.4690 -4.3617 -4.3617 -2.3413 -2.3413 -1.6390 -1.6390 -1.3553 -1.3553 -1.2345 -1.2345 -0.3268 -0.3268 -0.2377 -0.2377 3.4032 3.4032 3.5324 3.5324 6.3919 6.3919 8.4629 8.4629 k =-0.3365 0.3256-0.0000 ( 4066 PWs) bands (ev): -21.6313 -21.6313 -21.5359 -21.5359 -19.1513 -19.1513 -19.1185 -19.1185 -8.4643 -8.4643 -8.4167 -8.4167 -5.2830 -5.2830 -5.2398 -5.2398 -4.7328 -4.7328 -4.6894 -4.6894 -4.4826 -4.4826 -4.3545 -4.3545 -2.3479 -2.3479 -1.6347 -1.6347 -1.3603 -1.3603 -1.2235 -1.2235 -0.3104 -0.3104 -0.2067 -0.2067 3.4168 3.4168 3.5545 3.5545 6.3707 6.3707 8.4130 8.4130 k =-0.3462 0.3349-0.0000 ( 4064 PWs) bands (ev): -21.6285 -21.6285 -21.5360 -21.5360 -19.1535 -19.1535 -19.1175 -19.1175 -8.4686 -8.4686 -8.4345 -8.4345 -5.2912 -5.2912 -5.2312 -5.2312 -4.7338 -4.7338 -4.6888 -4.6888 -4.4964 -4.4964 -4.3475 -4.3475 -2.3549 -2.3549 -1.6304 -1.6304 -1.3653 -1.3653 -1.2127 -1.2127 -0.2940 -0.2940 -0.1769 -0.1769 3.4304 3.4304 3.5757 3.5757 6.3503 6.3503 8.3653 8.3653 k =-0.3558 0.3442-0.0000 ( 4064 PWs) bands (ev): -21.6259 -21.6259 -21.5360 -21.5360 -19.1556 -19.1556 -19.1166 -19.1166 -8.4726 -8.4726 -8.4514 -8.4514 -5.2992 -5.2992 -5.2222 -5.2222 -4.7348 -4.7348 -4.6881 -4.6881 -4.5104 -4.5104 -4.3407 -4.3407 -2.3623 -2.3623 -1.6264 -1.6264 -1.3702 -1.3702 -1.2023 -1.2023 -0.2780 -0.2780 -0.1483 -0.1483 3.4439 3.4439 3.5959 3.5959 6.3308 6.3308 8.3200 8.3200 k =-0.3654 0.3535-0.0000 ( 4070 PWs) bands (ev): -21.6234 -21.6234 -21.5361 -21.5361 -19.1576 -19.1576 -19.1157 -19.1157 -8.4764 -8.4764 -8.4675 -8.4675 -5.3069 -5.3069 -5.2129 -5.2129 -4.7359 -4.7359 -4.6873 -4.6873 -4.5244 -4.5244 -4.3342 -4.3342 -2.3698 -2.3698 -1.6225 -1.6225 -1.3748 -1.3748 -1.1922 -1.1922 -0.2623 -0.2623 -0.1210 -0.1210 3.4571 3.4571 3.6150 3.6150 6.3122 6.3122 8.2771 8.2771 k =-0.3750 0.3628-0.0000 ( 4078 PWs) bands (ev): -21.6210 -21.6210 -21.5362 -21.5362 -19.1595 -19.1595 -19.1149 -19.1149 -8.4827 -8.4827 -8.4800 -8.4800 -5.3142 -5.3142 -5.2033 -5.2033 -4.7369 -4.7369 -4.6865 -4.6865 -4.5385 -4.5385 -4.3280 -4.3280 -2.3774 -2.3774 -1.6189 -1.6189 -1.3793 -1.3793 -1.1825 -1.1825 -0.2470 -0.2470 -0.0951 -0.0951 3.4700 3.4700 3.6329 3.6329 6.2946 6.2946 8.2368 8.2368 k =-0.3846 0.3721-0.0000 ( 4094 PWs) bands (ev): -21.6187 -21.6187 -21.5363 -21.5363 -19.1613 -19.1613 -19.1141 -19.1141 -8.4968 -8.4968 -8.4834 -8.4834 -5.3212 -5.3212 -5.1936 -5.1936 -4.7379 -4.7379 -4.6855 -4.6855 -4.5524 -4.5524 -4.3221 -4.3221 -2.3849 -2.3849 -1.6154 -1.6154 -1.3836 -1.3836 -1.1734 -1.1734 -0.2324 -0.2324 -0.0708 -0.0708 3.4825 3.4825 3.6496 3.6496 6.2781 6.2781 8.1991 8.1991 k =-0.3942 0.3814-0.0000 ( 4098 PWs) bands (ev): -21.6166 -21.6166 -21.5363 -21.5363 -19.1630 -19.1630 -19.1133 -19.1133 -8.5100 -8.5100 -8.4865 -8.4865 -5.3276 -5.3276 -5.1839 -5.1839 -4.7390 -4.7390 -4.6845 -4.6845 -4.5660 -4.5660 -4.3166 -4.3166 -2.3923 -2.3923 -1.6122 -1.6122 -1.3877 -1.3877 -1.1647 -1.1647 -0.2185 -0.2185 -0.0480 -0.0480 3.4945 3.4945 3.6652 3.6652 6.2627 6.2627 8.1642 8.1642 k =-0.4038 0.3907-0.0000 ( 4096 PWs) bands (ev): -21.6147 -21.6147 -21.5364 -21.5364 -19.1645 -19.1645 -19.1126 -19.1126 -8.5221 -8.5221 -8.4894 -8.4894 -5.3337 -5.3337 -5.1743 -5.1743 -4.7399 -4.7399 -4.6836 -4.6836 -4.5793 -4.5793 -4.3115 -4.3115 -2.3995 -2.3995 -1.6092 -1.6092 -1.3915 -1.3915 -1.1566 -1.1566 -0.2055 -0.2055 -0.0269 -0.0269 3.5058 3.5058 3.6794 3.6794 6.2485 6.2485 8.1321 8.1321 k =-0.4135 0.4000-0.0000 ( 4088 PWs) bands (ev): -21.6129 -21.6129 -21.5365 -21.5365 -19.1659 -19.1659 -19.1120 -19.1120 -8.5332 -8.5332 -8.4920 -8.4920 -5.3392 -5.3392 -5.1649 -5.1649 -4.7408 -4.7408 -4.6826 -4.6826 -4.5920 -4.5920 -4.3068 -4.3068 -2.4063 -2.4063 -1.6064 -1.6064 -1.3950 -1.3950 -1.1491 -1.1491 -0.1933 -0.1933 -0.0076 -0.0076 3.5164 3.5164 3.6924 3.6924 6.2355 6.2355 8.1029 8.1029 k =-0.4231 0.4093-0.0000 ( 4080 PWs) bands (ev): -21.6113 -21.6113 -21.5365 -21.5365 -19.1672 -19.1672 -19.1114 -19.1114 -8.5432 -8.5432 -8.4944 -8.4944 -5.3442 -5.3442 -5.1558 -5.1558 -4.7417 -4.7417 -4.6818 -4.6818 -4.6040 -4.6040 -4.3025 -4.3025 -2.4126 -2.4126 -1.6039 -1.6039 -1.3981 -1.3981 -1.1422 -1.1422 -0.1822 -0.1822 0.0099 0.0099 3.5261 3.5261 3.7041 3.7041 6.2237 6.2237 8.0766 8.0766 k =-0.4327 0.4186-0.0000 ( 4080 PWs) bands (ev): -21.6099 -21.6099 -21.5365 -21.5365 -19.1684 -19.1684 -19.1109 -19.1109 -8.5521 -8.5521 -8.4965 -8.4965 -5.3486 -5.3486 -5.1472 -5.1472 -4.7425 -4.7425 -4.6810 -4.6810 -4.6152 -4.6152 -4.2987 -4.2987 -2.4185 -2.4185 -1.6017 -1.6017 -1.4010 -1.4010 -1.1361 -1.1361 -0.1722 -0.1722 0.0255 0.0255 3.5349 3.5349 3.7144 3.7144 6.2132 6.2132 8.0533 8.0533 k =-0.4423 0.4279-0.0000 ( 4080 PWs) bands (ev): -21.6086 -21.6086 -21.5366 -21.5366 -19.1694 -19.1694 -19.1105 -19.1105 -8.5598 -8.5598 -8.4983 -8.4983 -5.3525 -5.3525 -5.1393 -5.1393 -4.7431 -4.7431 -4.6804 -4.6804 -4.6253 -4.6253 -4.2953 -4.2953 -2.4237 -2.4237 -1.5998 -1.5998 -1.4035 -1.4035 -1.1307 -1.1307 -0.1633 -0.1633 0.0391 0.0391 3.5427 3.5427 3.7234 3.7234 6.2040 6.2040 8.0330 8.0330 k =-0.4519 0.4372-0.0000 ( 4082 PWs) bands (ev): -21.6075 -21.6075 -21.5366 -21.5366 -19.1702 -19.1702 -19.1101 -19.1101 -8.5664 -8.5664 -8.4999 -8.4999 -5.3559 -5.3559 -5.1322 -5.1322 -4.7438 -4.7437 -4.6800 -4.6800 -4.6342 -4.6341 -4.2925 -4.2925 -2.4282 -2.4282 -1.5981 -1.5981 -1.4056 -1.4056 -1.1261 -1.1261 -0.1557 -0.1557 0.0508 0.0508 3.5495 3.5495 3.7310 3.7310 6.1962 6.1962 8.0158 8.0158 k =-0.4615 0.4465-0.0000 ( 4082 PWs) bands (ev): -21.6066 -21.6066 -21.5366 -21.5366 -19.1709 -19.1709 -19.1098 -19.1098 -8.5717 -8.5717 -8.5012 -8.5012 -5.3586 -5.3586 -5.1261 -5.1261 -4.7443 -4.7443 -4.6798 -4.6798 -4.6415 -4.6415 -4.2901 -4.2901 -2.4320 -2.4320 -1.5967 -1.5967 -1.4074 -1.4074 -1.1222 -1.1222 -0.1494 -0.1494 0.0604 0.0604 3.5551 3.5551 3.7372 3.7372 6.1898 6.1898 8.0017 8.0017 k =-0.4712 0.4558-0.0000 ( 4082 PWs) bands (ev): -21.6060 -21.6060 -21.5367 -21.5367 -19.1714 -19.1714 -19.1096 -19.1096 -8.5760 -8.5760 -8.5022 -8.5022 -5.3607 -5.3607 -5.1211 -5.1211 -4.7446 -4.7446 -4.6798 -4.6798 -4.6473 -4.6473 -4.2883 -4.2883 -2.4351 -2.4351 -1.5957 -1.5957 -1.4088 -1.4088 -1.1192 -1.1192 -0.1445 -0.1445 0.0678 0.0678 3.5595 3.5595 3.7421 3.7421 6.1848 6.1848 7.9907 7.9907 k =-0.4808 0.4651-0.0000 ( 4070 PWs) bands (ev): -21.6055 -21.6055 -21.5367 -21.5367 -19.1718 -19.1718 -19.1094 -19.1094 -8.5790 -8.5790 -8.5029 -8.5029 -5.3623 -5.3623 -5.1174 -5.1174 -4.7449 -4.7449 -4.6800 -4.6800 -4.6513 -4.6513 -4.2870 -4.2870 -2.4372 -2.4372 -1.5949 -1.5949 -1.4098 -1.4098 -1.1171 -1.1171 -0.1409 -0.1409 0.0732 0.0732 3.5627 3.5627 3.7456 3.7456 6.1812 6.1812 7.9828 7.9828 k =-0.4904 0.4744-0.0000 ( 4084 PWs) bands (ev): -21.6052 -21.6052 -21.5367 -21.5367 -19.1721 -19.1721 -19.1093 -19.1093 -8.5808 -8.5808 -8.5033 -8.5033 -5.3632 -5.3632 -5.1152 -5.1152 -4.7451 -4.7451 -4.6802 -4.6802 -4.6537 -4.6537 -4.2862 -4.2862 -2.4385 -2.4385 -1.5944 -1.5944 -1.4104 -1.4104 -1.1158 -1.1158 -0.1388 -0.1388 0.0764 0.0764 3.5646 3.5646 3.7476 3.7476 6.1790 6.1790 7.9781 7.9781 k =-0.5000 0.4837-0.0000 ( 4084 PWs) bands (ev): -21.6051 -21.6051 -21.5367 -21.5367 -19.1721 -19.1721 -19.1092 -19.1092 -8.5814 -8.5814 -8.5034 -8.5034 -5.3635 -5.3635 -5.1144 -5.1144 -4.7452 -4.7452 -4.6803 -4.6803 -4.6545 -4.6545 -4.2859 -4.2859 -2.4390 -2.4390 -1.5943 -1.5943 -1.4106 -1.4106 -1.1153 -1.1153 -0.1380 -0.1380 0.0775 0.0775 3.5652 3.5652 3.7483 3.7483 6.1783 6.1783 7.9765 7.9765 k =-0.5000 0.4837-0.0000 ( 4084 PWs) bands (ev): -21.6051 -21.6051 -21.5367 -21.5367 -19.1721 -19.1721 -19.1092 -19.1092 -8.5814 -8.5814 -8.5034 -8.5034 -5.3635 -5.3635 -5.1144 -5.1144 -4.7452 -4.7452 -4.6803 -4.6803 -4.6545 -4.6545 -4.2859 -4.2859 -2.4390 -2.4390 -1.5943 -1.5943 -1.4106 -1.4106 -1.1153 -1.1153 -0.1380 -0.1380 0.0775 0.0775 3.5652 3.5652 3.7483 3.7483 6.1783 6.1783 7.9765 7.9765 k =-0.4920 0.4920-0.0000 ( 4076 PWs) bands (ev): -21.6050 -21.6050 -21.5368 -21.5368 -19.1721 -19.1721 -19.1092 -19.1092 -8.5813 -8.5812 -8.5031 -8.5031 -5.3641 -5.3632 -5.1159 -5.1139 -4.7450 -4.7434 -4.6800 -4.6797 -4.6547 -4.6544 -4.2866 -4.2860 -2.4385 -2.4385 -1.5948 -1.5946 -1.4111 -1.4106 -1.1158 -1.1155 -0.1388 -0.1384 0.0770 0.0770 3.5646 3.5647 3.7478 3.7480 6.1799 6.1799 7.9760 7.9760 k =-0.4840 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.6049 -21.6049 -21.5372 -21.5371 -19.1721 -19.1720 -19.1092 -19.1092 -8.5808 -8.5808 -8.5021 -8.5020 -5.3651 -5.3633 -5.1183 -5.1144 -4.7429 -4.7397 -4.6786 -4.6780 -4.6550 -4.6543 -4.2881 -4.2868 -2.4371 -2.4370 -1.5962 -1.5957 -1.4121 -1.4112 -1.1170 -1.1164 -0.1407 -0.1398 0.0754 0.0756 3.5628 3.5629 3.7464 3.7469 6.1848 6.1849 7.9746 7.9746 k =-0.4840 0.5003-0.0000 ( 4076 PWs) bands (ev): -21.6049 -21.6049 -21.5372 -21.5371 -19.1721 -19.1720 -19.1092 -19.1092 -8.5808 -8.5808 -8.5021 -8.5020 -5.3651 -5.3633 -5.1183 -5.1144 -4.7429 -4.7397 -4.6786 -4.6780 -4.6550 -4.6543 -4.2881 -4.2868 -2.4371 -2.4370 -1.5962 -1.5957 -1.4121 -1.4112 -1.1170 -1.1164 -0.1407 -0.1398 0.0754 0.0756 3.5628 3.5629 3.7464 3.7469 6.1848 6.1849 7.9746 7.9746 k =-0.4840 0.5003 0.0135 ( 4080 PWs) bands (ev): -21.6048 -21.6048 -21.5372 -21.5372 -19.1720 -19.1720 -19.1093 -19.1093 -8.5808 -8.5807 -8.5022 -8.5021 -5.3657 -5.3632 -5.1177 -5.1138 -4.7422 -4.7384 -4.7017 -4.6831 -4.6504 -4.6314 -4.2888 -4.2875 -2.4363 -2.4362 -1.5970 -1.5964 -1.4120 -1.4111 -1.1175 -1.1168 -0.1405 -0.1397 0.0751 0.0753 3.5628 3.5630 3.7461 3.7466 6.1871 6.1872 7.9752 7.9755 k =-0.4840 0.5003 0.0271 ( 4086 PWs) bands (ev): -21.6046 -21.6046 -21.5374 -21.5374 -19.1719 -19.1718 -19.1094 -19.1094 -8.5807 -8.5806 -8.5026 -8.5024 -5.3673 -5.3634 -5.1158 -5.1120 -4.7402 -4.7349 -4.7260 -4.7075 -4.6272 -4.6075 -4.2910 -4.2897 -2.4339 -2.4337 -1.5991 -1.5985 -1.4118 -1.4109 -1.1189 -1.1181 -0.1402 -0.1393 0.0741 0.0743 3.5629 3.5633 3.7453 3.7460 6.1939 6.1940 7.9772 7.9778 k =-0.4840 0.5003 0.0406 ( 4080 PWs) bands (ev): -21.6043 -21.6043 -21.5377 -21.5377 -19.1716 -19.1715 -19.1097 -19.1097 -8.5805 -8.5803 -8.5031 -8.5029 -5.3695 -5.3641 -5.1128 -5.1089 -4.7533 -4.7379 -4.7304 -4.7271 -4.6041 -4.5842 -4.2947 -4.2934 -2.4298 -2.4296 -1.6027 -1.6020 -1.4115 -1.4105 -1.1212 -1.1203 -0.1395 -0.1387 0.0725 0.0728 3.5632 3.5637 3.7440 3.7448 6.2053 6.2054 7.9806 7.9816 k =-0.4840 0.5003 0.0541 ( 4078 PWs) bands (ev): -21.6039 -21.6039 -21.5381 -21.5381 -19.1712 -19.1712 -19.1101 -19.1101 -8.5802 -8.5800 -8.5038 -8.5036 -5.3722 -5.3653 -5.1086 -5.1046 -4.7784 -4.7602 -4.7266 -4.7198 -4.5815 -4.5615 -4.2998 -4.2986 -2.4241 -2.4239 -1.6076 -1.6069 -1.4110 -1.4100 -1.1245 -1.1233 -0.1387 -0.1378 0.0703 0.0706 3.5636 3.5642 3.7423 3.7432 6.2211 6.2212 7.9855 7.9868 k =-0.4840 0.5003 0.0677 ( 4080 PWs) bands (ev): -21.6033 -21.6033 -21.5387 -21.5387 -19.1707 -19.1707 -19.1107 -19.1107 -8.5798 -8.5795 -8.5048 -8.5045 -5.3751 -5.3668 -5.1033 -5.0992 -4.8038 -4.7858 -4.7183 -4.7099 -4.5598 -4.5396 -4.3063 -4.3052 -2.4168 -2.4166 -1.6140 -1.6132 -1.4103 -1.4093 -1.1285 -1.1271 -0.1376 -0.1367 0.0675 0.0679 3.5642 3.5649 3.7400 3.7411 6.2414 6.2415 7.9918 7.9935 k =-0.4840 0.5003 0.0812 ( 4076 PWs) bands (ev): -21.6027 -21.6027 -21.5394 -21.5393 -19.1701 -19.1701 -19.1113 -19.1113 -8.5793 -8.5790 -8.5059 -8.5056 -5.3782 -5.3686 -5.0971 -5.0928 -4.8289 -4.8115 -4.7081 -4.6982 -4.5389 -4.5187 -4.3142 -4.3132 -2.4079 -2.4077 -1.6218 -1.6209 -1.4095 -1.4085 -1.1334 -1.1318 -0.1362 -0.1353 0.0641 0.0646 3.5649 3.5658 3.7373 3.7385 6.2660 6.2661 7.9997 8.0016 k =-0.4840 0.5003 0.0947 ( 4071 PWs) bands (ev): -21.6019 -21.6019 -21.5401 -21.5401 -19.1694 -19.1694 -19.1121 -19.1121 -8.5787 -8.5784 -8.5072 -8.5069 -5.3814 -5.3705 -5.0902 -5.0855 -4.8535 -4.8368 -4.6962 -4.6851 -4.5191 -4.4987 -4.3234 -4.3224 -2.3976 -2.3974 -1.6309 -1.6299 -1.4084 -1.4074 -1.1391 -1.1372 -0.1346 -0.1337 0.0602 0.0608 3.5658 3.5668 3.7341 3.7356 6.2949 6.2950 8.0089 8.0112 k =-0.4840 0.5003 0.1083 ( 4080 PWs) bands (ev): -21.6010 -21.6010 -21.5410 -21.5410 -19.1686 -19.1686 -19.1129 -19.1129 -8.5781 -8.5777 -8.5087 -8.5084 -5.3844 -5.3724 -5.0829 -5.0776 -4.8772 -4.8615 -4.6830 -4.6706 -4.5004 -4.4799 -4.3339 -4.3329 -2.3858 -2.3855 -1.6413 -1.6403 -1.4072 -1.4060 -1.1455 -1.1434 -0.1328 -0.1318 0.0558 0.0565 3.5668 3.5680 3.7305 3.7321 6.3279 6.3281 8.0197 8.0222 k =-0.4840 0.5003 0.1218 ( 4084 PWs) bands (ev): -21.6000 -21.6000 -21.5420 -21.5420 -19.1677 -19.1676 -19.1139 -19.1139 -8.5773 -8.5769 -8.5103 -8.5100 -5.3872 -5.3741 -5.0758 -5.0695 -4.8993 -4.8852 -4.6687 -4.6551 -4.4829 -4.4623 -4.3457 -4.3443 -2.3725 -2.3723 -1.6531 -1.6520 -1.4056 -1.4044 -1.1526 -1.1503 -0.1307 -0.1297 0.0510 0.0517 3.5681 3.5694 3.7265 3.7283 6.3650 6.3652 8.0319 8.0348 k =-0.4840 0.5003 0.1353 ( 4080 PWs) bands (ev): -21.5989 -21.5988 -21.5431 -21.5431 -19.1667 -19.1666 -19.1149 -19.1149 -8.5765 -8.5760 -8.5121 -8.5117 -5.3896 -5.3756 -5.0700 -5.0618 -4.9187 -4.9069 -4.6534 -4.6388 -4.4669 -4.4460 -4.3587 -4.3565 -2.3580 -2.3577 -1.6661 -1.6649 -1.4038 -1.4025 -1.1603 -1.1578 -0.1284 -0.1273 0.0457 0.0465 3.5695 3.5710 3.7222 3.7241 6.4061 6.4063 8.0456 8.0488 k =-0.4840 0.5003 0.1489 ( 4076 PWs) bands (ev): -21.5976 -21.5976 -21.5443 -21.5443 -19.1656 -19.1655 -19.1161 -19.1161 -8.5755 -8.5750 -8.5141 -8.5136 -5.3914 -5.3766 -5.0670 -5.0558 -4.9340 -4.9255 -4.6375 -4.6219 -4.4527 -4.4315 -4.3726 -4.3689 -2.3421 -2.3419 -1.6804 -1.6791 -1.4017 -1.4003 -1.1685 -1.1659 -0.1258 -0.1247 0.0401 0.0410 3.5712 3.5728 3.7175 3.7195 6.4509 6.4511 8.0609 8.0643 k =-0.4840 0.5003 0.1624 ( 4074 PWs) bands (ev): -21.5963 -21.5963 -21.5456 -21.5456 -19.1644 -19.1644 -19.1173 -19.1173 -8.5745 -8.5739 -8.5161 -8.5157 -5.3926 -5.3770 -5.0688 -5.0537 -4.9431 -4.9387 -4.6212 -4.6046 -4.4411 -4.4193 -4.3872 -4.3802 -2.3250 -2.3248 -1.6959 -1.6945 -1.3992 -1.3977 -1.1773 -1.1745 -0.1229 -0.1219 0.0342 0.0351 3.5731 3.5748 3.7124 3.7146 6.4994 6.4996 8.0776 8.0812 k =-0.4840 0.5003 0.1759 ( 4071 PWs) bands (ev): -21.5949 -21.5949 -21.5470 -21.5470 -19.1631 -19.1631 -19.1187 -19.1187 -8.5733 -8.5727 -8.5183 -8.5178 -5.3931 -5.3768 -5.0767 -5.0578 -4.9453 -4.9434 -4.6049 -4.5873 -4.4347 -4.4130 -4.3999 -4.3867 -2.3067 -2.3066 -1.7125 -1.7111 -1.3963 -1.3947 -1.1865 -1.1835 -0.1199 -0.1188 0.0280 0.0289 3.5752 3.5771 3.7071 3.7095 6.5514 6.5516 8.0958 8.0997 k =-0.4840 0.5003 0.1895 ( 4075 PWs) bands (ev): -21.5934 -21.5934 -21.5485 -21.5485 -19.1618 -19.1617 -19.1201 -19.1201 -8.5721 -8.5715 -8.5205 -8.5200 -5.3928 -5.3759 -5.0899 -5.0686 -4.9420 -4.9386 -4.5890 -4.5703 -4.4375 -4.4227 -4.4002 -4.3841 -2.2874 -2.2874 -1.7302 -1.7288 -1.3931 -1.3913 -1.1961 -1.1930 -0.1166 -0.1154 0.0216 0.0226 3.5776 3.5796 3.7015 3.7040 6.6067 6.6069 8.1155 8.1196 k =-0.4840 0.5003 0.2030 ( 4075 PWs) bands (ev): -21.5918 -21.5918 -21.5501 -21.5500 -19.1603 -19.1603 -19.1216 -19.1216 -8.5707 -8.5701 -8.5229 -8.5223 -5.3915 -5.3741 -5.1068 -5.0844 -4.9328 -4.9282 -4.5740 -4.5545 -4.4478 -4.4381 -4.3944 -4.3771 -2.2671 -2.2671 -1.7490 -1.7475 -1.3894 -1.3875 -1.2060 -1.2028 -0.1130 -0.1118 0.0150 0.0160 3.5803 3.5824 3.6957 3.6983 6.6651 6.6654 8.1366 8.1410 k =-0.4840 0.5003 0.2165 ( 4078 PWs) bands (ev): -21.5902 -21.5902 -21.5517 -21.5517 -19.1588 -19.1588 -19.1231 -19.1231 -8.5693 -8.5687 -8.5253 -8.5247 -5.3893 -5.3713 -5.1257 -5.1029 -4.9193 -4.9142 -4.5613 -4.5411 -4.4599 -4.4529 -4.3879 -4.3701 -2.2460 -2.2459 -1.7688 -1.7673 -1.3853 -1.3833 -1.2162 -1.2129 -0.1092 -0.1080 0.0082 0.0093 3.5832 3.5855 3.6897 3.6924 6.7264 6.7268 8.1590 8.1637 k =-0.4840 0.5003 0.2301 ( 4070 PWs) bands (ev): -21.5885 -21.5884 -21.5534 -21.5534 -19.1573 -19.1572 -19.1248 -19.1247 -8.5678 -8.5671 -8.5277 -8.5272 -5.3860 -5.3676 -5.1455 -5.1227 -4.9031 -4.8977 -4.5531 -4.5336 -4.4687 -4.4643 -4.3822 -4.3641 -2.2240 -2.2238 -1.7894 -1.7879 -1.3807 -1.3785 -1.2265 -1.2231 -0.1052 -0.1040 0.0014 0.0025 3.5865 3.5888 3.6836 3.6864 6.7905 6.7909 8.1554 8.1570 k =-0.4840 0.5003 0.2436 ( 4066 PWs) bands (ev): -21.5867 -21.5866 -21.5552 -21.5552 -19.1556 -19.1556 -19.1264 -19.1264 -8.5662 -8.5655 -8.5302 -8.5296 -5.3817 -5.3629 -5.1656 -5.1429 -4.8849 -4.8794 -4.5527 -4.5365 -4.4707 -4.4671 -4.3777 -4.3594 -2.2013 -2.2011 -1.8109 -1.8094 -1.3756 -1.3733 -1.2369 -1.2335 -0.1009 -0.0996 -0.0055 -0.0043 3.5900 3.5924 3.6774 3.6802 6.8572 6.8576 8.0827 8.0838 k =-0.4840 0.5003 0.2571 ( 4068 PWs) bands (ev): -21.5848 -21.5848 -21.5570 -21.5570 -19.1540 -19.1539 -19.1282 -19.1282 -8.5644 -8.5637 -8.5327 -8.5321 -5.3762 -5.3571 -5.1856 -5.1630 -4.8653 -4.8598 -4.5616 -4.5493 -4.4670 -4.4593 -4.3746 -4.3563 -2.1779 -2.1776 -1.8332 -1.8317 -1.3700 -1.3676 -1.2474 -1.2440 -0.0964 -0.0951 -0.0124 -0.0112 3.5938 3.5963 3.6711 3.6739 6.9262 6.9267 8.0074 8.0085 k =-0.4840 0.5003 0.2707 ( 4072 PWs) bands (ev): -21.5829 -21.5829 -21.5589 -21.5589 -19.1522 -19.1522 -19.1299 -19.1299 -8.5626 -8.5619 -8.5353 -8.5346 -5.3697 -5.3502 -5.2051 -5.1827 -4.8447 -4.8392 -4.5770 -4.5673 -4.4584 -4.4474 -4.3730 -4.3547 -2.1540 -2.1536 -1.8562 -1.8547 -1.3639 -1.3614 -1.2579 -1.2545 -0.0916 -0.0904 -0.0193 -0.0181 3.5979 3.6005 3.6647 3.6676 6.9973 6.9978 7.9307 7.9318 k =-0.4840 0.5003 0.2842 ( 4076 PWs) bands (ev): -21.5810 -21.5810 -21.5609 -21.5608 -19.1505 -19.1504 -19.1318 -19.1317 -8.5607 -8.5600 -8.5378 -8.5371 -5.3620 -5.3421 -5.2241 -5.2019 -4.8232 -4.8177 -4.5960 -4.5878 -4.4475 -4.4344 -4.3730 -4.3548 -2.1296 -2.1291 -1.8797 -1.8784 -1.3573 -1.3547 -1.2683 -1.2649 -0.0867 -0.0854 -0.0261 -0.0249 3.6022 3.6049 3.6584 3.6613 7.0704 7.0709 7.8529 7.8539 k =-0.4840 0.5003 0.2977 ( 4079 PWs) bands (ev): -21.5790 -21.5790 -21.5628 -21.5628 -19.1486 -19.1486 -19.1336 -19.1336 -8.5587 -8.5580 -8.5403 -8.5396 -5.3531 -5.3330 -5.2423 -5.2203 -4.8010 -4.7955 -4.6170 -4.6097 -4.4359 -4.4215 -4.3745 -4.3564 -2.1048 -2.1042 -1.9038 -1.9025 -1.3502 -1.3475 -1.2786 -1.2752 -0.0815 -0.0802 -0.0329 -0.0316 3.6069 3.6096 3.6521 3.6551 7.1451 7.1457 7.7741 7.7751 k =-0.4840 0.5003 0.3113 ( 4076 PWs) bands (ev): -21.5770 -21.5770 -21.5648 -21.5648 -19.1468 -19.1468 -19.1355 -19.1355 -8.5567 -8.5559 -8.5428 -8.5421 -5.3431 -5.3227 -5.2597 -5.2379 -4.7783 -4.7728 -4.6391 -4.6324 -4.4245 -4.4091 -4.3775 -4.3596 -2.0798 -2.0790 -1.9284 -1.9271 -1.3427 -1.3398 -1.2887 -1.2853 -0.0761 -0.0748 -0.0395 -0.0382 3.6118 3.6146 3.6459 3.6488 7.2212 7.2219 7.6948 7.6957 k =-0.4840 0.5003 0.3248 ( 4075 PWs) bands (ev): -21.5750 -21.5750 -21.5668 -21.5668 -19.1449 -19.1449 -19.1374 -19.1373 -8.5545 -8.5538 -8.5452 -8.5445 -5.3319 -5.3112 -5.2761 -5.2546 -4.7553 -4.7496 -4.6619 -4.6556 -4.4138 -4.3977 -4.3820 -4.3644 -2.0545 -2.0537 -1.9533 -1.9521 -1.3347 -1.3317 -1.2986 -1.2952 -0.0704 -0.0691 -0.0460 -0.0447 3.6169 3.6198 3.6397 3.6427 7.2986 7.2993 7.6152 7.6160 k =-0.4840 0.5003 0.3383 ( 4064 PWs) bands (ev): -21.5730 -21.5729 -21.5689 -21.5688 -19.1430 -19.1430 -19.1393 -19.1392 -8.5523 -8.5516 -8.5476 -8.5469 -5.3196 -5.2988 -5.2915 -5.2703 -4.7320 -4.7262 -4.6851 -4.6790 -4.4040 -4.3887 -4.3867 -4.3706 -2.0291 -2.0282 -1.9784 -1.9773 -1.3262 -1.3231 -1.3081 -1.3049 -0.0646 -0.0633 -0.0524 -0.0511 3.6223 3.6253 3.6338 3.6367 7.3770 7.3777 7.5355 7.5363 k =-0.4840 0.5003 0.3519 ( 4068 PWs) bands (ev): -21.5709 -21.5709 -21.5709 -21.5709 -19.1412 -19.1412 -19.1411 -19.1411 -8.5500 -8.5500 -8.5493 -8.5493 -5.3062 -5.3062 -5.2850 -5.2850 -4.7088 -4.7088 -4.7024 -4.7024 -4.3954 -4.3954 -4.3783 -4.3783 -2.0037 -2.0037 -2.0027 -2.0027 -1.3174 -1.3174 -1.3142 -1.3142 -0.0586 -0.0586 -0.0573 -0.0573 3.6280 3.6280 3.6309 3.6309 7.4560 7.4560 7.4568 7.4568 k =-0.4840 0.5003 0.3519 ( 4068 PWs) bands (ev): -21.5709 -21.5709 -21.5709 -21.5709 -19.1412 -19.1412 -19.1411 -19.1411 -8.5500 -8.5500 -8.5493 -8.5493 -5.3062 -5.3062 -5.2850 -5.2850 -4.7088 -4.7088 -4.7024 -4.7024 -4.3954 -4.3954 -4.3783 -4.3783 -2.0037 -2.0037 -2.0027 -2.0027 -1.3174 -1.3174 -1.3142 -1.3142 -0.0586 -0.0586 -0.0573 -0.0573 3.6280 3.6280 3.6309 3.6309 7.4560 7.4560 7.4568 7.4568 k =-0.4920 0.4920 0.3519 ( 4060 PWs) bands (ev): -21.5708 -21.5708 -21.5708 -21.5708 -19.1412 -19.1412 -19.1412 -19.1412 -8.5509 -8.5509 -8.5502 -8.5502 -5.3066 -5.3066 -5.2853 -5.2853 -4.7058 -4.7058 -4.7007 -4.7007 -4.3973 -4.3973 -4.3802 -4.3802 -2.0040 -2.0040 -2.0030 -2.0030 -1.3176 -1.3176 -1.3144 -1.3144 -0.0567 -0.0567 -0.0554 -0.0554 3.6292 3.6292 3.6322 3.6322 7.4547 7.4547 7.4554 7.4554 k =-0.5000 0.4837 0.3519 ( 4068 PWs) bands (ev): -21.5708 -21.5708 -21.5707 -21.5707 -19.1412 -19.1412 -19.1412 -19.1412 -8.5512 -8.5512 -8.5505 -8.5505 -5.3067 -5.3067 -5.2855 -5.2855 -4.7048 -4.7048 -4.7002 -4.7002 -4.3979 -4.3979 -4.3808 -4.3808 -2.0040 -2.0040 -2.0030 -2.0030 -1.3177 -1.3177 -1.3145 -1.3145 -0.0561 -0.0561 -0.0548 -0.0548 3.6297 3.6297 3.6326 3.6326 7.4543 7.4543 7.4550 7.4550 k =-0.5000 0.4837 0.3519 ( 4068 PWs) bands (ev): -21.5708 -21.5708 -21.5707 -21.5707 -19.1412 -19.1412 -19.1412 -19.1412 -8.5512 -8.5512 -8.5505 -8.5505 -5.3067 -5.3067 -5.2855 -5.2855 -4.7048 -4.7048 -4.7002 -4.7002 -4.3979 -4.3979 -4.3808 -4.3808 -2.0040 -2.0040 -2.0030 -2.0030 -1.3177 -1.3177 -1.3145 -1.3145 -0.0561 -0.0561 -0.0548 -0.0548 3.6297 3.6297 3.6326 3.6326 7.4543 7.4543 7.4550 7.4550 k =-0.5000 0.4837 0.3383 ( 4062 PWs) bands (ev): -21.5729 -21.5728 -21.5687 -21.5687 -19.1431 -19.1431 -19.1393 -19.1393 -8.5535 -8.5527 -8.5489 -8.5482 -5.3201 -5.2990 -5.2923 -5.2708 -4.7282 -4.7237 -4.6815 -4.6766 -4.4064 -4.3906 -4.3898 -4.3731 -2.0295 -2.0286 -1.9786 -1.9775 -1.3265 -1.3234 -1.3085 -1.3052 -0.0621 -0.0608 -0.0499 -0.0486 3.6241 3.6270 3.6354 3.6384 7.3750 7.3757 7.5340 7.5348 k =-0.5000 0.4837 0.3248 ( 4078 PWs) bands (ev): -21.5749 -21.5749 -21.5667 -21.5666 -19.1450 -19.1450 -19.1374 -19.1374 -8.5557 -8.5549 -8.5466 -8.5458 -5.3323 -5.3115 -5.2769 -5.2552 -4.7515 -4.7472 -4.6584 -4.6531 -4.4162 -4.4001 -4.3846 -4.3669 -2.0550 -2.0542 -1.9534 -1.9522 -1.3350 -1.3319 -1.2989 -1.2956 -0.0679 -0.0666 -0.0435 -0.0423 3.6187 3.6216 3.6414 3.6444 7.2964 7.2970 7.6139 7.6147 k =-0.5000 0.4837 0.3113 ( 4074 PWs) bands (ev): -21.5770 -21.5769 -21.5646 -21.5646 -19.1468 -19.1468 -19.1355 -19.1355 -8.5578 -8.5570 -8.5441 -8.5434 -5.3434 -5.3229 -5.2604 -5.2385 -4.7745 -4.7703 -4.6358 -4.6300 -4.4267 -4.4114 -4.3801 -4.3622 -2.0804 -2.0797 -1.9284 -1.9271 -1.3429 -1.3400 -1.2891 -1.2856 -0.0735 -0.0723 -0.0370 -0.0358 3.6136 3.6164 3.6475 3.6504 7.2188 7.2194 7.6937 7.6946 k =-0.5000 0.4837 0.2977 ( 4082 PWs) bands (ev): -21.5790 -21.5789 -21.5626 -21.5626 -19.1487 -19.1487 -19.1336 -19.1336 -8.5598 -8.5591 -8.5417 -8.5410 -5.3534 -5.3332 -5.2431 -5.2210 -4.7972 -4.7930 -4.6139 -4.6073 -4.4379 -4.4236 -4.3771 -4.3590 -2.1056 -2.1050 -1.9038 -1.9024 -1.3504 -1.3477 -1.2789 -1.2755 -0.0789 -0.0777 -0.0304 -0.0291 3.6087 3.6115 3.6537 3.6566 7.1424 7.1430 7.7732 7.7742 k =-0.5000 0.4837 0.2842 ( 4070 PWs) bands (ev): -21.5810 -21.5809 -21.5606 -21.5606 -19.1505 -19.1505 -19.1318 -19.1318 -8.5618 -8.5610 -8.5392 -8.5385 -5.3622 -5.3423 -5.2249 -5.2026 -4.8194 -4.8152 -4.5933 -4.5855 -4.4492 -4.4364 -4.3757 -4.3574 -2.1304 -2.1299 -1.8795 -1.8782 -1.3575 -1.3548 -1.2686 -1.2652 -0.0841 -0.0829 -0.0237 -0.0224 3.6041 3.6068 3.6600 3.6629 7.0675 7.0680 7.8522 7.8532 k =-0.5000 0.4837 0.2707 ( 4066 PWs) bands (ev): -21.5829 -21.5829 -21.5587 -21.5586 -19.1523 -19.1523 -19.1300 -19.1300 -8.5636 -8.5629 -8.5367 -8.5360 -5.3699 -5.3502 -5.2060 -5.1835 -4.8409 -4.8367 -4.5750 -4.5652 -4.4596 -4.4489 -4.3758 -4.3575 -2.1549 -2.1545 -1.8559 -1.8544 -1.3640 -1.3614 -1.2582 -1.2547 -0.0891 -0.0879 -0.0169 -0.0157 3.5998 3.6024 3.6663 3.6692 6.9942 6.9947 7.9302 7.9313 k =-0.5000 0.4837 0.2571 ( 4070 PWs) bands (ev): -21.5848 -21.5848 -21.5568 -21.5567 -19.1540 -19.1540 -19.1282 -19.1282 -8.5654 -8.5647 -8.5342 -8.5336 -5.3764 -5.3571 -5.1865 -5.1638 -4.8616 -4.8574 -4.5608 -4.5477 -4.4672 -4.4600 -4.3775 -4.3592 -2.1789 -2.1786 -1.8328 -1.8313 -1.3700 -1.3676 -1.2476 -1.2442 -0.0938 -0.0927 -0.0100 -0.0088 3.5957 3.5982 3.6727 3.6755 6.9228 6.9232 8.0072 8.0082 k =-0.5000 0.4837 0.2436 ( 4066 PWs) bands (ev): -21.5867 -21.5867 -21.5549 -21.5549 -19.1557 -19.1557 -19.1265 -19.1265 -8.5671 -8.5664 -8.5317 -8.5311 -5.3818 -5.3629 -5.1666 -5.1438 -4.8812 -4.8770 -4.5536 -4.5364 -4.4691 -4.4663 -4.3808 -4.3625 -2.2024 -2.2022 -1.8104 -1.8089 -1.3755 -1.3732 -1.2370 -1.2336 -0.0983 -0.0972 -0.0031 -0.0020 3.5920 3.5944 3.6790 3.6817 6.8536 6.8539 8.0826 8.0838 k =-0.5000 0.4837 0.2301 ( 4062 PWs) bands (ev): -21.5885 -21.5885 -21.5531 -21.5531 -19.1573 -19.1573 -19.1248 -19.1248 -8.5687 -8.5680 -8.5292 -8.5286 -5.3860 -5.3675 -5.1466 -5.1236 -4.8995 -4.8953 -4.5555 -4.5354 -4.4634 -4.4632 -4.3855 -4.3675 -2.2252 -2.2250 -1.7888 -1.7873 -1.3805 -1.3784 -1.2265 -1.2232 -0.1026 -0.1015 0.0037 0.0048 3.5885 3.5908 3.6852 3.6879 6.7866 6.7870 8.1564 8.1575 k =-0.5000 0.4837 0.2165 ( 4078 PWs) bands (ev): -21.5902 -21.5902 -21.5514 -21.5514 -19.1589 -19.1589 -19.1232 -19.1232 -8.5702 -8.5695 -8.5268 -8.5262 -5.3893 -5.3712 -5.1268 -5.1038 -4.9158 -4.9118 -4.5645 -4.5441 -4.4520 -4.4517 -4.3916 -4.3741 -2.2472 -2.2472 -1.7680 -1.7666 -1.3850 -1.3830 -1.2161 -1.2128 -0.1067 -0.1056 0.0105 0.0116 3.5853 3.5875 3.6913 3.6939 6.7223 6.7226 8.1610 8.1656 k =-0.5000 0.4837 0.2030 ( 4082 PWs) bands (ev): -21.5919 -21.5919 -21.5498 -21.5497 -19.1604 -19.1604 -19.1216 -19.1216 -8.5716 -8.5709 -8.5244 -8.5238 -5.3914 -5.3739 -5.1078 -5.0852 -4.9295 -4.9259 -4.5775 -4.5579 -4.4380 -4.4367 -4.3985 -4.3822 -2.2685 -2.2685 -1.7482 -1.7467 -1.3891 -1.3872 -1.2059 -1.2027 -0.1105 -0.1095 0.0172 0.0183 3.5824 3.5845 3.6973 3.6998 6.6607 6.6610 8.1384 8.1428 k =-0.5000 0.4837 0.1895 ( 4076 PWs) bands (ev): -21.5935 -21.5935 -21.5482 -21.5481 -19.1618 -19.1618 -19.1201 -19.1201 -8.5729 -8.5722 -8.5220 -8.5215 -5.3926 -5.3756 -5.0908 -5.0692 -4.9390 -4.9366 -4.5926 -4.5740 -4.4269 -4.4203 -4.4033 -4.3918 -2.2888 -2.2888 -1.7293 -1.7279 -1.3927 -1.3910 -1.1959 -1.1928 -0.1140 -0.1131 0.0238 0.0248 3.5798 3.5818 3.7031 3.7055 6.6020 6.6023 8.1172 8.1214 k =-0.5000 0.4837 0.1759 ( 4084 PWs) bands (ev): -21.5950 -21.5950 -21.5467 -21.5466 -19.1632 -19.1632 -19.1187 -19.1187 -8.5741 -8.5735 -8.5198 -8.5193 -5.3929 -5.3766 -5.0772 -5.0580 -4.9424 -4.9423 -4.6086 -4.5910 -4.4280 -4.4061 -4.4008 -4.3973 -2.3082 -2.3081 -1.7115 -1.7101 -1.3958 -1.3943 -1.1862 -1.1832 -0.1174 -0.1165 0.0302 0.0312 3.5774 3.5793 3.7087 3.7110 6.5465 6.5468 8.0975 8.1014 k =-0.5000 0.4837 0.1624 ( 4084 PWs) bands (ev): -21.5964 -21.5964 -21.5453 -21.5452 -19.1645 -19.1645 -19.1174 -19.1174 -8.5752 -8.5746 -8.5176 -8.5172 -5.3924 -5.3767 -5.0687 -5.0534 -4.9414 -4.9375 -4.6250 -4.6084 -4.4382 -4.4162 -4.3873 -4.3840 -2.3265 -2.3264 -1.6948 -1.6935 -1.3986 -1.3972 -1.1768 -1.1740 -0.1204 -0.1196 0.0364 0.0373 3.5753 3.5770 3.7140 3.7162 6.4943 6.4946 8.0793 8.0830 k =-0.5000 0.4837 0.1489 ( 4080 PWs) bands (ev): -21.5978 -21.5977 -21.5439 -21.5439 -19.1656 -19.1656 -19.1161 -19.1161 -8.5762 -8.5757 -8.5155 -8.5151 -5.3911 -5.3762 -5.0662 -5.0550 -4.9330 -4.9249 -4.6413 -4.6257 -4.4515 -4.4302 -4.3721 -4.3699 -2.3437 -2.3435 -1.6792 -1.6780 -1.4010 -1.3997 -1.1680 -1.1653 -0.1233 -0.1225 0.0423 0.0431 3.5734 3.5750 3.7191 3.7211 6.4456 6.4458 8.0626 8.0660 k =-0.5000 0.4837 0.1353 ( 4080 PWs) bands (ev): -21.5990 -21.5990 -21.5427 -21.5427 -19.1667 -19.1667 -19.1150 -19.1150 -8.5771 -8.5767 -8.5136 -8.5132 -5.3892 -5.3752 -5.0686 -5.0607 -4.9184 -4.9068 -4.6572 -4.6426 -4.4665 -4.4456 -4.3579 -4.3562 -2.3596 -2.3594 -1.6649 -1.6637 -1.4031 -1.4019 -1.1596 -1.1571 -0.1259 -0.1252 0.0479 0.0487 3.5718 3.5733 3.7238 3.7257 6.4006 6.4008 8.0474 8.0506 k =-0.5000 0.4837 0.1218 ( 4080 PWs) bands (ev): -21.6001 -21.6001 -21.5416 -21.5416 -19.1677 -19.1677 -19.1139 -19.1139 -8.5780 -8.5775 -8.5118 -8.5114 -5.3868 -5.3737 -5.0739 -5.0684 -4.8993 -4.8854 -4.6725 -4.6590 -4.4829 -4.4622 -4.3448 -4.3435 -2.3742 -2.3740 -1.6518 -1.6507 -1.4048 -1.4037 -1.1518 -1.1495 -0.1282 -0.1276 0.0531 0.0538 3.5703 3.5717 3.7282 3.7299 6.3594 6.3595 8.0337 8.0366 k =-0.5000 0.4837 0.1083 ( 4078 PWs) bands (ev): -21.6011 -21.6011 -21.5406 -21.5406 -19.1686 -19.1686 -19.1130 -19.1130 -8.5787 -8.5783 -8.5101 -8.5098 -5.3840 -5.3719 -5.0805 -5.0766 -4.8775 -4.8619 -4.6869 -4.6746 -4.5006 -4.4801 -4.3328 -4.3318 -2.3875 -2.3873 -1.6399 -1.6389 -1.4063 -1.4053 -1.1446 -1.1426 -0.1303 -0.1297 0.0579 0.0586 3.5691 3.5703 3.7322 3.7337 6.3221 6.3222 8.0215 8.0241 k =-0.5000 0.4837 0.0947 ( 4074 PWs) bands (ev): -21.6020 -21.6020 -21.5397 -21.5397 -19.1695 -19.1695 -19.1121 -19.1121 -8.5794 -8.5790 -8.5086 -8.5084 -5.3809 -5.3700 -5.0875 -5.0846 -4.8540 -4.8374 -4.7001 -4.6891 -4.5195 -4.4991 -4.3221 -4.3212 -2.3994 -2.3991 -1.6294 -1.6285 -1.4075 -1.4066 -1.1381 -1.1363 -0.1321 -0.1316 0.0623 0.0629 3.5681 3.5691 3.7358 3.7372 6.2889 6.2890 8.0108 8.0130 k =-0.5000 0.4837 0.0812 ( 4072 PWs) bands (ev): -21.6028 -21.6028 -21.5389 -21.5389 -19.1702 -19.1702 -19.1114 -19.1114 -8.5799 -8.5796 -8.5073 -8.5071 -5.3777 -5.3680 -5.0941 -5.0920 -4.8296 -4.8121 -4.7120 -4.7023 -4.5395 -4.5192 -4.3126 -4.3120 -2.4097 -2.4095 -1.6202 -1.6194 -1.4084 -1.4077 -1.1323 -1.1307 -0.1337 -0.1333 0.0662 0.0667 3.5672 3.5681 3.7390 3.7402 6.2598 6.2599 8.0015 8.0035 k =-0.5000 0.4837 0.0677 ( 4068 PWs) bands (ev): -21.6035 -21.6035 -21.5382 -21.5382 -19.1708 -19.1708 -19.1107 -19.1107 -8.5804 -8.5801 -8.5061 -8.5060 -5.3745 -5.3662 -5.1001 -5.0986 -4.8045 -4.7865 -4.7222 -4.7140 -4.5604 -4.5402 -4.3046 -4.3041 -2.4186 -2.4184 -1.6124 -1.6117 -1.4092 -1.4086 -1.1273 -1.1260 -0.1351 -0.1347 0.0696 0.0700 3.5665 3.5673 3.7417 3.7427 6.2351 6.2352 7.9937 7.9954 k =-0.5000 0.4837 0.0541 ( 4084 PWs) bands (ev): -21.6041 -21.6041 -21.5377 -21.5377 -19.1713 -19.1713 -19.1102 -19.1102 -8.5808 -8.5806 -8.5052 -8.5050 -5.3715 -5.3647 -5.1052 -5.1041 -4.7792 -4.7609 -4.7306 -4.7241 -4.5822 -4.5622 -4.2979 -4.2976 -2.4259 -2.4258 -1.6059 -1.6054 -1.4098 -1.4093 -1.1232 -1.1221 -0.1362 -0.1359 0.0723 0.0727 3.5660 3.5666 3.7440 3.7448 6.2147 6.2148 7.9874 7.9887 k =-0.5000 0.4837 0.0406 ( 4088 PWs) bands (ev): -21.6045 -21.6045 -21.5373 -21.5372 -19.1716 -19.1716 -19.1098 -19.1098 -8.5811 -8.5809 -8.5044 -8.5043 -5.3688 -5.3636 -5.1092 -5.1085 -4.7540 -4.7401 -4.7324 -4.7321 -4.6048 -4.5849 -4.2927 -4.2925 -2.4316 -2.4315 -1.6009 -1.6005 -1.4102 -1.4099 -1.1199 -1.1191 -0.1370 -0.1368 0.0746 0.0748 3.5656 3.5660 3.7458 3.7464 6.1988 6.1989 7.9825 7.9835 k =-0.5000 0.4837 0.0271 ( 4088 PWs) bands (ev): -21.6048 -21.6048 -21.5369 -21.5369 -19.1719 -19.1719 -19.1095 -19.1095 -8.5813 -8.5812 -8.5039 -8.5038 -5.3665 -5.3630 -5.1122 -5.1117 -4.7427 -4.7396 -4.7275 -4.7089 -4.6278 -4.6082 -4.2890 -4.2888 -2.4357 -2.4357 -1.5973 -1.5970 -1.4105 -1.4103 -1.1175 -1.1169 -0.1376 -0.1375 0.0762 0.0763 3.5653 3.5656 3.7471 3.7476 6.1874 6.1875 7.9790 7.9797 k =-0.5000 0.4837 0.0135 ( 4084 PWs) bands (ev): -21.6050 -21.6050 -21.5368 -21.5368 -19.1721 -19.1721 -19.1093 -19.1093 -8.5814 -8.5813 -8.5036 -8.5035 -5.3647 -5.3629 -5.1139 -5.1137 -4.7450 -4.7432 -4.7031 -4.6849 -4.6505 -4.6319 -4.2867 -4.2866 -2.4382 -2.4381 -1.5951 -1.5949 -1.4106 -1.4105 -1.1159 -1.1157 -0.1379 -0.1379 0.0771 0.0772 3.5652 3.5654 3.7480 3.7482 6.1806 6.1806 7.9770 7.9774 k =-0.5000 0.4837-0.0000 ( 4084 PWs) bands (ev): -21.6051 -21.6051 -21.5367 -21.5367 -19.1721 -19.1721 -19.1092 -19.1092 -8.5814 -8.5814 -8.5034 -8.5034 -5.3635 -5.3635 -5.1144 -5.1144 -4.7452 -4.7452 -4.6803 -4.6803 -4.6545 -4.6545 -4.2859 -4.2859 -2.4390 -2.4390 -1.5943 -1.5943 -1.4106 -1.4106 -1.1153 -1.1153 -0.1380 -0.1380 0.0775 0.0775 3.5652 3.5652 3.7483 3.7483 6.1783 6.1783 7.9765 7.9765 k = 0.0000 0.0000 0.3519 ( 4038 PWs) bands (ev): -21.6253 -21.6253 -21.6250 -21.6250 -19.1144 -19.1144 -19.1139 -19.1139 -8.0948 -8.0948 -8.0935 -8.0935 -5.2643 -5.2643 -5.2508 -5.2508 -4.6977 -4.6977 -4.6887 -4.6887 -4.2276 -4.2276 -4.2036 -4.2036 -2.1071 -2.1071 -2.1052 -2.1052 -1.6639 -1.6639 -1.6527 -1.6527 -0.6659 -0.6659 -0.6549 -0.6549 3.0184 3.0184 3.0194 3.0194 8.0881 8.0881 8.0920 8.0920 k =-0.0096 0.0093 0.3519 ( 4034 PWs) bands (ev): -21.6252 -21.6252 -21.6250 -21.6250 -19.1144 -19.1144 -19.1140 -19.1140 -8.0953 -8.0952 -8.0940 -8.0940 -5.2651 -5.2638 -5.2510 -5.2510 -4.6978 -4.6971 -4.6887 -4.6883 -4.2282 -4.2275 -4.2041 -4.2036 -2.1067 -2.1067 -2.1050 -2.1048 -1.6637 -1.6635 -1.6526 -1.6523 -0.6656 -0.6655 -0.6546 -0.6545 3.0186 3.0192 3.0199 3.0200 8.0856 8.0864 8.0894 8.0903 k =-0.0192 0.0186 0.3519 ( 4038 PWs) bands (ev): -21.6251 -21.6251 -21.6248 -21.6248 -19.1145 -19.1145 -19.1140 -19.1140 -8.0967 -8.0966 -8.0954 -8.0954 -5.2663 -5.2637 -5.2515 -5.2515 -4.6975 -4.6961 -4.6884 -4.6876 -4.2292 -4.2277 -4.2050 -4.2040 -2.1057 -2.1056 -2.1040 -2.1036 -1.6630 -1.6627 -1.6520 -1.6514 -0.6646 -0.6644 -0.6535 -0.6535 3.0200 3.0211 3.0215 3.0217 8.0789 8.0805 8.0826 8.0843 k =-0.0288 0.0279 0.3519 ( 4042 PWs) bands (ev): -21.6248 -21.6248 -21.6246 -21.6246 -19.1146 -19.1146 -19.1142 -19.1142 -8.0991 -8.0989 -8.0978 -8.0977 -5.2678 -5.2639 -5.2523 -5.2523 -4.6969 -4.6948 -4.6877 -4.6865 -4.2305 -4.2284 -4.2063 -4.2048 -2.1039 -2.1038 -2.1024 -2.1018 -1.6617 -1.6613 -1.6509 -1.6501 -0.6628 -0.6626 -0.6518 -0.6518 3.0225 3.0241 3.0242 3.0244 8.0683 8.0706 8.0719 8.0743 k =-0.0385 0.0372 0.3519 ( 4046 PWs) bands (ev): -21.6245 -21.6245 -21.6242 -21.6242 -19.1148 -19.1148 -19.1144 -19.1144 -8.1023 -8.1021 -8.1010 -8.1010 -5.2697 -5.2645 -5.2535 -5.2534 -4.6958 -4.6931 -4.6866 -4.6850 -4.2322 -4.2294 -4.2080 -4.2060 -2.1015 -2.1014 -2.1001 -2.0993 -1.6599 -1.6594 -1.6493 -1.6482 -0.6603 -0.6600 -0.6494 -0.6493 3.0260 3.0280 3.0281 3.0282 8.0543 8.0572 8.0577 8.0607 k =-0.0481 0.0465 0.3519 ( 4050 PWs) bands (ev): -21.6241 -21.6240 -21.6238 -21.6238 -19.1150 -19.1150 -19.1146 -19.1146 -8.1065 -8.1062 -8.1052 -8.1051 -5.2718 -5.2654 -5.2549 -5.2549 -4.6944 -4.6910 -4.6852 -4.6832 -4.2344 -4.2308 -4.2101 -4.2076 -2.0985 -2.0984 -2.0973 -2.0962 -1.6576 -1.6568 -1.6472 -1.6458 -0.6570 -0.6567 -0.6462 -0.6462 3.0306 3.0328 3.0331 3.0333 8.0373 8.0404 8.0408 8.0441 k =-0.0577 0.0558 0.3519 ( 4050 PWs) bands (ev): -21.6235 -21.6235 -21.6233 -21.6232 -19.1153 -19.1153 -19.1149 -19.1149 -8.1115 -8.1112 -8.1102 -8.1101 -5.2741 -5.2666 -5.2566 -5.2566 -4.6927 -4.6887 -4.6836 -4.6811 -4.2369 -4.2326 -4.2126 -4.2097 -2.0950 -2.0948 -2.0939 -2.0926 -1.6546 -1.6537 -1.6445 -1.6427 -0.6531 -0.6526 -0.6423 -0.6423 3.0362 3.0387 3.0391 3.0394 8.0180 8.0207 8.0217 8.0248 k =-0.0673 0.0651 0.3519 ( 4054 PWs) bands (ev): -21.6229 -21.6229 -21.6226 -21.6226 -19.1157 -19.1156 -19.1152 -19.1152 -8.1174 -8.1171 -8.1161 -8.1160 -5.2767 -5.2681 -5.2586 -5.2585 -4.6906 -4.6860 -4.6816 -4.6788 -4.2397 -4.2348 -4.2155 -4.2121 -2.0910 -2.0908 -2.0901 -2.0886 -1.6511 -1.6500 -1.6412 -1.6391 -0.6483 -0.6478 -0.6377 -0.6377 3.0429 3.0455 3.0460 3.0466 7.9966 7.9991 8.0007 8.0036 k =-0.0769 0.0744 0.3519 ( 4052 PWs) bands (ev): -21.6221 -21.6221 -21.6219 -21.6219 -19.1160 -19.1160 -19.1156 -19.1156 -8.1242 -8.1238 -8.1228 -8.1227 -5.2795 -5.2698 -5.2607 -5.2606 -4.6882 -4.6831 -4.6795 -4.6762 -4.2430 -4.2373 -4.2187 -4.2150 -2.0866 -2.0864 -2.0859 -2.0841 -1.6469 -1.6455 -1.6372 -1.6349 -0.6428 -0.6422 -0.6324 -0.6324 3.0505 3.0534 3.0539 3.0547 7.9738 7.9759 7.9780 7.9808 k =-0.0865 0.0837 0.3519 ( 4050 PWs) bands (ev): -21.6213 -21.6213 -21.6211 -21.6211 -19.1165 -19.1164 -19.1160 -19.1160 -8.1317 -8.1312 -8.1303 -8.1302 -5.2824 -5.2717 -5.2630 -5.2629 -4.6856 -4.6801 -4.6771 -4.6734 -4.2466 -4.2403 -4.2224 -4.2182 -2.0819 -2.0817 -2.0814 -2.0794 -1.6419 -1.6404 -1.6326 -1.6300 -0.6365 -0.6359 -0.6263 -0.6263 3.0591 3.0622 3.0628 3.0638 7.9499 7.9516 7.9542 7.9568 k =-0.0962 0.0930 0.3519 ( 4056 PWs) bands (ev): -21.6204 -21.6204 -21.6202 -21.6202 -19.1169 -19.1168 -19.1165 -19.1165 -8.1399 -8.1394 -8.1385 -8.1384 -5.2854 -5.2738 -5.2654 -5.2654 -4.6829 -4.6768 -4.6746 -4.6705 -4.2506 -4.2436 -4.2264 -4.2219 -2.0770 -2.0769 -2.0768 -2.0746 -1.6363 -1.6345 -1.6273 -1.6244 -0.6295 -0.6288 -0.6195 -0.6194 3.0686 3.0719 3.0726 3.0737 7.9252 7.9266 7.9296 7.9320 k =-0.1058 0.1023 0.3519 ( 4056 PWs) bands (ev): -21.6194 -21.6194 -21.6192 -21.6192 -19.1175 -19.1173 -19.1170 -19.1170 -8.1489 -8.1484 -8.1475 -8.1474 -5.2885 -5.2760 -5.2679 -5.2679 -4.6799 -4.6735 -4.6720 -4.6674 -4.2549 -4.2473 -4.2308 -4.2259 -2.0720 -2.0720 -2.0719 -2.0696 -1.6299 -1.6279 -1.6213 -1.6180 -0.6216 -0.6209 -0.6119 -0.6118 3.0790 3.0825 3.0833 3.0846 7.9001 7.9011 7.9045 7.9067 k =-0.1154 0.1116 0.3519 ( 4064 PWs) bands (ev): -21.6184 -21.6184 -21.6181 -21.6181 -19.1180 -19.1179 -19.1176 -19.1176 -8.1586 -8.1580 -8.1572 -8.1570 -5.2916 -5.2783 -5.2705 -5.2705 -4.6769 -4.6700 -4.6693 -4.6642 -4.2596 -4.2513 -4.2355 -4.2303 -2.0672 -2.0670 -2.0670 -2.0646 -1.6228 -1.6206 -1.6146 -1.6110 -0.6130 -0.6122 -0.6036 -0.6034 3.0902 3.0939 3.0948 3.0963 7.8748 7.8755 7.8792 7.8812 k =-0.1250 0.1209 0.3519 ( 4054 PWs) bands (ev): -21.6172 -21.6172 -21.6170 -21.6170 -19.1186 -19.1185 -19.1182 -19.1182 -8.1688 -8.1682 -8.1675 -8.1673 -5.2948 -5.2807 -5.2731 -5.2730 -4.6738 -4.6666 -4.6666 -4.6610 -4.2646 -4.2556 -4.2406 -4.2350 -2.0626 -2.0621 -2.0620 -2.0597 -1.6149 -1.6124 -1.6071 -1.6031 -0.6035 -0.6028 -0.5944 -0.5942 3.1023 3.1062 3.1071 3.1087 7.8495 7.8498 7.8538 7.8557 k =-0.1346 0.1302 0.3519 ( 4054 PWs) bands (ev): -21.6160 -21.6160 -21.6158 -21.6158 -19.1192 -19.1191 -19.1188 -19.1188 -8.1797 -8.1791 -8.1783 -8.1782 -5.2978 -5.2831 -5.2757 -5.2756 -4.6706 -4.6639 -4.6631 -4.6578 -4.2699 -4.2603 -4.2459 -4.2401 -2.0580 -2.0573 -2.0573 -2.0550 -1.6063 -1.6035 -1.5988 -1.5946 -0.5933 -0.5925 -0.5845 -0.5842 3.1151 3.1191 3.1202 3.1219 7.8244 7.8244 7.8286 7.8304 k =-0.1442 0.1395 0.3519 ( 4054 PWs) bands (ev): -21.6148 -21.6147 -21.6145 -21.6145 -19.1199 -19.1197 -19.1195 -19.1195 -8.1911 -8.1904 -8.1897 -8.1895 -5.3008 -5.2855 -5.2782 -5.2781 -4.6675 -4.6612 -4.6597 -4.6546 -4.2755 -4.2653 -4.2516 -4.2454 -2.0537 -2.0528 -2.0527 -2.0505 -1.5969 -1.5939 -1.5899 -1.5853 -0.5822 -0.5814 -0.5738 -0.5735 3.1286 3.1328 3.1339 3.1358 7.7994 7.7996 7.8037 7.8054 k =-0.1538 0.1488 0.3519 ( 4058 PWs) bands (ev): -21.6134 -21.6134 -21.6132 -21.6132 -19.1206 -19.1204 -19.1202 -19.1202 -8.2030 -8.2023 -8.2016 -8.2014 -5.3037 -5.2879 -5.2807 -5.2805 -4.6644 -4.6586 -4.6563 -4.6515 -4.2813 -4.2705 -4.2574 -4.2511 -2.0497 -2.0486 -2.0484 -2.0463 -1.5869 -1.5835 -1.5802 -1.5753 -0.5704 -0.5696 -0.5623 -0.5619 3.1427 3.1471 3.1483 3.1503 7.7748 7.7754 7.7793 7.7808 k =-0.1635 0.1581 0.3519 ( 4050 PWs) bands (ev): -21.6120 -21.6120 -21.6118 -21.6118 -19.1213 -19.1211 -19.1209 -19.1209 -8.2153 -8.2145 -8.2139 -8.2137 -5.3065 -5.2902 -5.2831 -5.2829 -4.6614 -4.6561 -4.6531 -4.6484 -4.2874 -4.2761 -4.2635 -4.2570 -2.0459 -2.0447 -2.0444 -2.0424 -1.5762 -1.5726 -1.5699 -1.5647 -0.5577 -0.5569 -0.5501 -0.5495 3.1575 3.1620 3.1633 3.1654 7.7508 7.7517 7.7554 7.7569 k =-0.1731 0.1674 0.3519 ( 4046 PWs) bands (ev): -21.6106 -21.6106 -21.6104 -21.6104 -19.1220 -19.1218 -19.1216 -19.1216 -8.2279 -8.2272 -8.2266 -8.2264 -5.3092 -5.2924 -5.2854 -5.2851 -4.6585 -4.6538 -4.6500 -4.6455 -4.2938 -4.2818 -4.2698 -4.2632 -2.0425 -2.0411 -2.0407 -2.0388 -1.5649 -1.5610 -1.5590 -1.5536 -0.5443 -0.5435 -0.5370 -0.5364 3.1728 3.1775 3.1789 3.1810 7.7275 7.7286 7.7322 7.7336 k =-0.1827 0.1767 0.3519 ( 4042 PWs) bands (ev): -21.6091 -21.6091 -21.6089 -21.6089 -19.1228 -19.1226 -19.1224 -19.1224 -8.2409 -8.2402 -8.2396 -8.2394 -5.3116 -5.2945 -5.2875 -5.2871 -4.6559 -4.6516 -4.6471 -4.6428 -4.3002 -4.2877 -4.2763 -4.2696 -2.0394 -2.0379 -2.0374 -2.0356 -1.5531 -1.5490 -1.5476 -1.5419 -0.5301 -0.5293 -0.5233 -0.5225 3.1886 3.1935 3.1949 3.1972 7.7049 7.7063 7.7098 7.7110 k =-0.1923 0.1860 0.3519 ( 4050 PWs) bands (ev): -21.6076 -21.6076 -21.6074 -21.6074 -19.1235 -19.1234 -19.1232 -19.1232 -8.2542 -8.2534 -8.2529 -8.2526 -5.3139 -5.2965 -5.2895 -5.2891 -4.6534 -4.6496 -4.6444 -4.6403 -4.3069 -4.2938 -4.2829 -4.2761 -2.0366 -2.0350 -2.0344 -2.0327 -1.5410 -1.5366 -1.5358 -1.5298 -0.5152 -0.5144 -0.5087 -0.5079 3.2049 3.2099 3.2114 3.2137 7.6832 7.6848 7.6881 7.6893 k =-0.2019 0.1953 0.3519 ( 4042 PWs) bands (ev): -21.6060 -21.6060 -21.6058 -21.6058 -19.1243 -19.1241 -19.1240 -19.1240 -8.2677 -8.2669 -8.2664 -8.2661 -5.3160 -5.2983 -5.2913 -5.2908 -4.6511 -4.6479 -4.6419 -4.6380 -4.3136 -4.3000 -4.2895 -4.2827 -2.0341 -2.0324 -2.0318 -2.0302 -1.5285 -1.5239 -1.5237 -1.5175 -0.4995 -0.4988 -0.4935 -0.4925 3.2216 3.2267 3.2283 3.2306 7.6623 7.6642 7.6673 7.6684 k =-0.2115 0.2046 0.3519 ( 4040 PWs) bands (ev): -21.6044 -21.6044 -21.6042 -21.6042 -19.1251 -19.1249 -19.1248 -19.1248 -8.2813 -8.2805 -8.2801 -8.2798 -5.3179 -5.3000 -5.2930 -5.2924 -4.6491 -4.6464 -4.6398 -4.6360 -4.3204 -4.3063 -4.2962 -4.2894 -2.0320 -2.0302 -2.0295 -2.0279 -1.5158 -1.5114 -1.5110 -1.5049 -0.4832 -0.4825 -0.4776 -0.4765 3.2387 3.2438 3.2455 3.2478 7.6424 7.6445 7.6475 7.6484 k =-0.2212 0.2140 0.3519 ( 4044 PWs) bands (ev): -21.6028 -21.6028 -21.6026 -21.6026 -19.1259 -19.1258 -19.1256 -19.1256 -8.2951 -8.2943 -8.2938 -8.2935 -5.3196 -5.3016 -5.2945 -5.2938 -4.6475 -4.6453 -4.6379 -4.6343 -4.3271 -4.3126 -4.3029 -4.2962 -2.0301 -2.0283 -2.0275 -2.0260 -1.5031 -1.4989 -1.4981 -1.4923 -0.4663 -0.4656 -0.4611 -0.4599 3.2560 3.2612 3.2630 3.2653 7.6235 7.6257 7.6285 7.6294 k =-0.2308 0.2233 0.3519 ( 4044 PWs) bands (ev): -21.6012 -21.6012 -21.6010 -21.6010 -19.1267 -19.1266 -19.1264 -19.1264 -8.3089 -8.3081 -8.3077 -8.3074 -5.3211 -5.3029 -5.2957 -5.2949 -4.6461 -4.6444 -4.6364 -4.6329 -4.3339 -4.3189 -4.3095 -4.3029 -2.0284 -2.0266 -2.0257 -2.0243 -1.4903 -1.4864 -1.4852 -1.4796 -0.4487 -0.4481 -0.4439 -0.4427 3.2736 3.2789 3.2807 3.2830 7.6055 7.6079 7.6106 7.6114 k =-0.2404 0.2326 0.3519 ( 4048 PWs) bands (ev): -21.5995 -21.5995 -21.5994 -21.5993 -19.1276 -19.1274 -19.1272 -19.1272 -8.3227 -8.3219 -8.3215 -8.3212 -5.3223 -5.3042 -5.2968 -5.2959 -4.6451 -4.6439 -4.6352 -4.6319 -4.3405 -4.3251 -4.3160 -4.3096 -2.0269 -2.0251 -2.0242 -2.0228 -1.4776 -1.4740 -1.4724 -1.4671 -0.4307 -0.4301 -0.4263 -0.4249 3.2914 3.2967 3.2986 3.3009 7.5886 7.5912 7.5937 7.5944 k =-0.2500 0.2419 0.3519 ( 4048 PWs) bands (ev): -21.5979 -21.5979 -21.5977 -21.5977 -19.1284 -19.1282 -19.1281 -19.1281 -8.3365 -8.3357 -8.3353 -8.3350 -5.3234 -5.3052 -5.2977 -5.2967 -4.6445 -4.6437 -4.6344 -4.6313 -4.3470 -4.3313 -4.3223 -4.3162 -2.0256 -2.0239 -2.0229 -2.0215 -1.4652 -1.4618 -1.4598 -1.4547 -0.4122 -0.4117 -0.4081 -0.4067 3.3093 3.3146 3.3166 3.3189 7.5727 7.5754 7.5778 7.5784 k =-0.2596 0.2512 0.3519 ( 4044 PWs) bands (ev): -21.5962 -21.5962 -21.5961 -21.5961 -19.1292 -19.1290 -19.1289 -19.1289 -8.3501 -8.3493 -8.3490 -8.3487 -5.3242 -5.3061 -5.2984 -5.2973 -4.6443 -4.6440 -4.6340 -4.6311 -4.3532 -4.3372 -4.3285 -4.3225 -2.0245 -2.0227 -2.0217 -2.0204 -1.4530 -1.4498 -1.4475 -1.4427 -0.3933 -0.3928 -0.3896 -0.3881 3.3272 3.3327 3.3347 3.3369 7.5579 7.5607 7.5629 7.5635 k =-0.2692 0.2605 0.3519 ( 4044 PWs) bands (ev): -21.5946 -21.5946 -21.5944 -21.5944 -19.1300 -19.1298 -19.1297 -19.1297 -8.3637 -8.3629 -8.3625 -8.3622 -5.3248 -5.3068 -5.2989 -5.2978 -4.6446 -4.6445 -4.6340 -4.6314 -4.3592 -4.3430 -4.3344 -4.3287 -2.0234 -2.0217 -2.0207 -2.0194 -1.4412 -1.4382 -1.4356 -1.4310 -0.3741 -0.3737 -0.3707 -0.3691 3.3453 3.3507 3.3528 3.3549 7.5442 7.5470 7.5491 7.5497 k =-0.2788 0.2698 0.3519 ( 4036 PWs) bands (ev): -21.5930 -21.5930 -21.5928 -21.5928 -19.1308 -19.1306 -19.1305 -19.1305 -8.3770 -8.3762 -8.3759 -8.3756 -5.3252 -5.3074 -5.2992 -5.2980 -4.6456 -4.6452 -4.6345 -4.6321 -4.3649 -4.3486 -4.3399 -4.3346 -2.0224 -2.0208 -2.0197 -2.0185 -1.4298 -1.4270 -1.4242 -1.4198 -0.3547 -0.3543 -0.3516 -0.3500 3.3633 3.3687 3.3708 3.3728 7.5315 7.5344 7.5364 7.5369 k =-0.2885 0.2791 0.3519 ( 4038 PWs) bands (ev): -21.5914 -21.5913 -21.5912 -21.5912 -19.1315 -19.1314 -19.1313 -19.1313 -8.3901 -8.3893 -8.3890 -8.3887 -5.3254 -5.3078 -5.2993 -5.2981 -4.6470 -4.6462 -4.6355 -4.6333 -4.3702 -4.3538 -4.3452 -4.3402 -2.0215 -2.0200 -2.0189 -2.0176 -1.4189 -1.4163 -1.4133 -1.4090 -0.3351 -0.3348 -0.3324 -0.3306 3.3811 3.3866 3.3888 3.3906 7.5199 7.5229 7.5247 7.5251 k =-0.2981 0.2884 0.3519 ( 4038 PWs) bands (ev): -21.5898 -21.5898 -21.5897 -21.5896 -19.1323 -19.1321 -19.1321 -19.1321 -8.4029 -8.4022 -8.4018 -8.4015 -5.3254 -5.3081 -5.2993 -5.2980 -4.6488 -4.6477 -4.6368 -4.6350 -4.3751 -4.3588 -4.3501 -4.3454 -2.0206 -2.0192 -2.0180 -2.0168 -1.4086 -1.4060 -1.4030 -1.3989 -0.3155 -0.3152 -0.3130 -0.3113 3.3989 3.4043 3.4065 3.4083 7.5093 7.5124 7.5141 7.5144 k =-0.3077 0.2977 0.3519 ( 4038 PWs) bands (ev): -21.5882 -21.5882 -21.5881 -21.5881 -19.1330 -19.1329 -19.1328 -19.1328 -8.4154 -8.4147 -8.4144 -8.4140 -5.3253 -5.3083 -5.2991 -5.2978 -4.6510 -4.6496 -4.6387 -4.6372 -4.3795 -4.3634 -4.3545 -4.3503 -2.0197 -2.0184 -2.0172 -2.0160 -1.3988 -1.3964 -1.3933 -1.3893 -0.2959 -0.2957 -0.2937 -0.2919 3.4164 3.4218 3.4241 3.4257 7.4998 7.5029 7.5044 7.5048 k =-0.3173 0.3070 0.3519 ( 4040 PWs) bands (ev): -21.5867 -21.5867 -21.5866 -21.5866 -19.1338 -19.1336 -19.1336 -19.1336 -8.4276 -8.4269 -8.4265 -8.4262 -5.3249 -5.3083 -5.2988 -5.2974 -4.6536 -4.6519 -4.6409 -4.6399 -4.3835 -4.3676 -4.3586 -4.3547 -2.0188 -2.0176 -2.0164 -2.0152 -1.3897 -1.3873 -1.3842 -1.3803 -0.2765 -0.2763 -0.2745 -0.2727 3.4337 3.4391 3.4413 3.4427 7.4913 7.4944 7.4958 7.4961 k =-0.3269 0.3163 0.3519 ( 4036 PWs) bands (ev): -21.5852 -21.5852 -21.5851 -21.5851 -19.1345 -19.1343 -19.1343 -19.1343 -8.4393 -8.4386 -8.4383 -8.4380 -5.3244 -5.3083 -5.2983 -5.2969 -4.6565 -4.6546 -4.6436 -4.6430 -4.3870 -4.3715 -4.3623 -4.3587 -2.0179 -2.0168 -2.0156 -2.0144 -1.3811 -1.3788 -1.3758 -1.3719 -0.2573 -0.2572 -0.2555 -0.2538 3.4507 3.4560 3.4582 3.4595 7.4839 7.4868 7.4882 7.4885 k =-0.3365 0.3256 0.3519 ( 4036 PWs) bands (ev): -21.5838 -21.5838 -21.5837 -21.5837 -19.1352 -19.1350 -19.1350 -19.1350 -8.4506 -8.4500 -8.4496 -8.4493 -5.3238 -5.3081 -5.2977 -5.2963 -4.6597 -4.6576 -4.6467 -4.6465 -4.3901 -4.3750 -4.3655 -4.3623 -2.0170 -2.0160 -2.0148 -2.0136 -1.3732 -1.3709 -1.3680 -1.3642 -0.2385 -0.2384 -0.2369 -0.2352 3.4673 3.4725 3.4747 3.4758 7.4773 7.4802 7.4815 7.4817 k =-0.3462 0.3349 0.3519 ( 4036 PWs) bands (ev): -21.5824 -21.5824 -21.5823 -21.5823 -19.1358 -19.1357 -19.1356 -19.1356 -8.4615 -8.4608 -8.4605 -8.4602 -5.3231 -5.3079 -5.2971 -5.2956 -4.6631 -4.6608 -4.6503 -4.6500 -4.3927 -4.3782 -4.3684 -4.3655 -2.0160 -2.0152 -2.0140 -2.0128 -1.3659 -1.3637 -1.3609 -1.3572 -0.2201 -0.2200 -0.2187 -0.2170 3.4834 3.4886 3.4908 3.4916 7.4717 7.4746 7.4758 7.4759 k =-0.3558 0.3442 0.3519 ( 4046 PWs) bands (ev): -21.5811 -21.5811 -21.5810 -21.5810 -19.1364 -19.1363 -19.1363 -19.1363 -8.4718 -8.4712 -8.4708 -8.4705 -5.3222 -5.3076 -5.2963 -5.2948 -4.6668 -4.6642 -4.6544 -4.6537 -4.3949 -4.3810 -4.3709 -4.3683 -2.0150 -2.0143 -2.0132 -2.0119 -1.3593 -1.3570 -1.3545 -1.3508 -0.2023 -0.2023 -0.2010 -0.1994 3.4990 3.5041 3.5062 3.5069 7.4670 7.4697 7.4708 7.4709 k =-0.3654 0.3535 0.3519 ( 4046 PWs) bands (ev): -21.5799 -21.5799 -21.5798 -21.5798 -19.1370 -19.1369 -19.1369 -19.1369 -8.4816 -8.4810 -8.4807 -8.4804 -5.3212 -5.3073 -5.2954 -5.2940 -4.6706 -4.6678 -4.6588 -4.6576 -4.3966 -4.3834 -4.3730 -4.3707 -2.0140 -2.0135 -2.0123 -2.0110 -1.3533 -1.3510 -1.3486 -1.3450 -0.1852 -0.1851 -0.1840 -0.1824 3.5140 3.5191 3.5211 3.5215 7.4630 7.4657 7.4667 7.4668 k =-0.3750 0.3628 0.3519 ( 4046 PWs) bands (ev): -21.5787 -21.5787 -21.5786 -21.5786 -19.1376 -19.1374 -19.1374 -19.1374 -8.4909 -8.4903 -8.4899 -8.4897 -5.3202 -5.3070 -5.2945 -5.2931 -4.6745 -4.6715 -4.6633 -4.6616 -4.3980 -4.3856 -4.3747 -4.3728 -2.0129 -2.0125 -2.0114 -2.0102 -1.3478 -1.3455 -1.3434 -1.3398 -0.1688 -0.1687 -0.1677 -0.1661 3.5284 3.5333 3.5353 3.5355 7.4598 7.4624 7.4633 7.4634 k =-0.3846 0.3721 0.3519 ( 4038 PWs) bands (ev): -21.5776 -21.5776 -21.5775 -21.5775 -19.1381 -19.1380 -19.1380 -19.1380 -8.4995 -8.4990 -8.4986 -8.4984 -5.3191 -5.3066 -5.2936 -5.2922 -4.6783 -4.6752 -4.6678 -4.6657 -4.3990 -4.3874 -4.3762 -4.3745 -2.0119 -2.0116 -2.0106 -2.0093 -1.3429 -1.3406 -1.3388 -1.3352 -0.1532 -0.1531 -0.1521 -0.1506 3.5421 3.5469 3.5488 3.5488 7.4574 7.4598 7.4607 7.4607 k =-0.3942 0.3814 0.3519 ( 4038 PWs) bands (ev): -21.5765 -21.5765 -21.5764 -21.5764 -19.1386 -19.1385 -19.1385 -19.1385 -8.5076 -8.5071 -8.5067 -8.5065 -5.3179 -5.3063 -5.2926 -5.2913 -4.6822 -4.6789 -4.6724 -4.6699 -4.3998 -4.3891 -4.3774 -4.3759 -2.0108 -2.0107 -2.0097 -2.0084 -1.3386 -1.3362 -1.3347 -1.3311 -0.1385 -0.1385 -0.1375 -0.1361 3.5550 3.5597 3.5612 3.5615 7.4555 7.4578 7.4585 7.4586 k =-0.4038 0.3907 0.3519 ( 4046 PWs) bands (ev): -21.5756 -21.5756 -21.5755 -21.5755 -19.1390 -19.1389 -19.1389 -19.1389 -8.5150 -8.5146 -8.5141 -8.5139 -5.3167 -5.3059 -5.2917 -5.2904 -4.6859 -4.6825 -4.6769 -4.6740 -4.4003 -4.3904 -4.3783 -4.3771 -2.0098 -2.0098 -2.0088 -2.0076 -1.3348 -1.3323 -1.3312 -1.3276 -0.1248 -0.1248 -0.1239 -0.1226 3.5670 3.5716 3.5728 3.5733 7.4541 7.4563 7.4569 7.4570 k =-0.4135 0.4000 0.3519 ( 4052 PWs) bands (ev): -21.5747 -21.5747 -21.5746 -21.5746 -19.1394 -19.1394 -19.1394 -19.1393 -8.5218 -8.5214 -8.5209 -8.5207 -5.3155 -5.3057 -5.2907 -5.2895 -4.6895 -4.6858 -4.6813 -4.6780 -4.4005 -4.3916 -4.3791 -4.3780 -2.0089 -2.0087 -2.0080 -2.0067 -1.3314 -1.3289 -1.3281 -1.3246 -0.1123 -0.1122 -0.1113 -0.1101 3.5781 3.5826 3.5834 3.5842 7.4533 7.4553 7.4558 7.4559 k =-0.4231 0.4093 0.3519 ( 4048 PWs) bands (ev): -21.5739 -21.5739 -21.5738 -21.5738 -19.1398 -19.1397 -19.1397 -19.1397 -8.5279 -8.5276 -8.5271 -8.5269 -5.3143 -5.3054 -5.2898 -5.2887 -4.6928 -4.6890 -4.6854 -4.6818 -4.4006 -4.3927 -4.3796 -4.3788 -2.0080 -2.0078 -2.0072 -2.0060 -1.3285 -1.3259 -1.3255 -1.3220 -0.1008 -0.1008 -0.0999 -0.0988 3.5883 3.5927 3.5931 3.5941 7.4528 7.4546 7.4551 7.4552 k =-0.4327 0.4186 0.3519 ( 4048 PWs) bands (ev): -21.5732 -21.5732 -21.5731 -21.5731 -19.1401 -19.1401 -19.1401 -19.1400 -8.5333 -8.5330 -8.5325 -8.5324 -5.3131 -5.3052 -5.2889 -5.2879 -4.6958 -4.6918 -4.6893 -4.6854 -4.4005 -4.3936 -4.3801 -4.3793 -2.0072 -2.0068 -2.0065 -2.0052 -1.3260 -1.3234 -1.3233 -1.3198 -0.0905 -0.0905 -0.0896 -0.0886 3.5975 3.6017 3.6017 3.6030 7.4526 7.4543 7.4546 7.4548 k =-0.4423 0.4279 0.3519 ( 4056 PWs) bands (ev): -21.5725 -21.5725 -21.5725 -21.5725 -19.1404 -19.1404 -19.1404 -19.1403 -8.5381 -8.5378 -8.5373 -8.5371 -5.3120 -5.3051 -5.2881 -5.2872 -4.6984 -4.6943 -4.6928 -4.6888 -4.4003 -4.3944 -4.3804 -4.3798 -2.0065 -2.0060 -2.0058 -2.0046 -1.3239 -1.3216 -1.3211 -1.3181 -0.0815 -0.0815 -0.0806 -0.0797 3.6056 3.6092 3.6097 3.6108 7.4527 7.4542 7.4544 7.4546 k =-0.4519 0.4372 0.3519 ( 4058 PWs) bands (ev): -21.5720 -21.5720 -21.5720 -21.5720 -19.1406 -19.1406 -19.1406 -19.1406 -8.5421 -8.5419 -8.5413 -8.5412 -5.3109 -5.3051 -5.2874 -5.2867 -4.7007 -4.6965 -4.6960 -4.6917 -4.4000 -4.3951 -4.3806 -4.3801 -2.0058 -2.0053 -2.0052 -2.0041 -1.3221 -1.3202 -1.3192 -1.3167 -0.0738 -0.0738 -0.0728 -0.0721 3.6126 3.6157 3.6165 3.6175 7.4529 7.4542 7.4543 7.4546 k =-0.4615 0.4465 0.3519 ( 4050 PWs) bands (ev): -21.5716 -21.5716 -21.5715 -21.5715 -19.1408 -19.1408 -19.1408 -19.1408 -8.5454 -8.5452 -8.5446 -8.5445 -5.3099 -5.3052 -5.2868 -5.2862 -4.7025 -4.6987 -4.6981 -4.6943 -4.3997 -4.3957 -4.3807 -4.3803 -2.0052 -2.0048 -2.0045 -2.0036 -1.3206 -1.3191 -1.3177 -1.3157 -0.0675 -0.0675 -0.0664 -0.0659 3.6185 3.6209 3.6222 3.6229 7.4532 7.4543 7.4544 7.4547 k =-0.4712 0.4558 0.3519 ( 4058 PWs) bands (ev): -21.5712 -21.5712 -21.5712 -21.5712 -19.1410 -19.1410 -19.1410 -19.1410 -8.5480 -8.5478 -8.5472 -8.5471 -5.3090 -5.3054 -5.2863 -5.2858 -4.7038 -4.7010 -4.6994 -4.6965 -4.3993 -4.3963 -4.3808 -4.3805 -2.0048 -2.0044 -2.0040 -2.0033 -1.3195 -1.3183 -1.3165 -1.3149 -0.0625 -0.0625 -0.0614 -0.0610 3.6231 3.6250 3.6266 3.6272 7.4535 7.4544 7.4546 7.4548 k =-0.4808 0.4651 0.3519 ( 4058 PWs) bands (ev): -21.5710 -21.5710 -21.5709 -21.5709 -19.1411 -19.1411 -19.1411 -19.1411 -8.5498 -8.5497 -8.5490 -8.5490 -5.3081 -5.3058 -5.2859 -5.2856 -4.7047 -4.7028 -4.7001 -4.6982 -4.3988 -4.3968 -4.3808 -4.3807 -2.0044 -2.0042 -2.0035 -2.0031 -1.3186 -1.3178 -1.3155 -1.3145 -0.0589 -0.0589 -0.0578 -0.0575 3.6265 3.6278 3.6299 3.6303 7.4538 7.4544 7.4548 7.4549 k =-0.4904 0.4744 0.3519 ( 4062 PWs) bands (ev): -21.5708 -21.5708 -21.5708 -21.5708 -19.1412 -19.1412 -19.1412 -19.1412 -8.5509 -8.5508 -8.5501 -8.5501 -5.3074 -5.3062 -5.2856 -5.2854 -4.7050 -4.7041 -4.7004 -4.6994 -4.3984 -4.3974 -4.3808 -4.3807 -2.0042 -2.0041 -2.0032 -2.0030 -1.3180 -1.3176 -1.3149 -1.3144 -0.0568 -0.0568 -0.0556 -0.0554 3.6287 3.6293 3.6319 3.6321 7.4541 7.4544 7.4549 7.4550 k =-0.5000 0.4837 0.3519 ( 4068 PWs) bands (ev): -21.5708 -21.5708 -21.5707 -21.5707 -19.1412 -19.1412 -19.1412 -19.1412 -8.5512 -8.5512 -8.5505 -8.5505 -5.3067 -5.3067 -5.2855 -5.2855 -4.7048 -4.7048 -4.7002 -4.7002 -4.3979 -4.3979 -4.3808 -4.3808 -2.0040 -2.0040 -2.0030 -2.0030 -1.3177 -1.3177 -1.3145 -1.3145 -0.0561 -0.0561 -0.0548 -0.0548 3.6297 3.6297 3.6326 3.6326 7.4543 7.4543 7.4550 7.4550 Writing output data file SO2.save init_run : 0.38s CPU 0.69s WALL ( 1 calls) electrons : 420.99s CPU 424.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 420.99s CPU 424.82s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.11s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 400 calls) cegterg : 404.49s CPU 407.83s WALL ( 1122 calls) Called by sum_band: Called by *egterg: h_psi : 244.27s CPU 254.73s WALL ( 20061 calls) s_psi : 15.01s CPU 15.58s WALL ( 20061 calls) g_psi : 0.49s CPU 0.58s WALL ( 18539 calls) cdiaghg : 114.49s CPU 106.52s WALL ( 18939 calls) cegterg:over : 17.15s CPU 16.59s WALL ( 18539 calls) cegterg:upda : 4.73s CPU 9.00s WALL ( 18539 calls) cegterg:last : 4.62s CPU 5.90s WALL ( 2746 calls) Called by h_psi: h_psi:vloc : 224.86s CPU 230.93s WALL ( 20061 calls) h_psi:vnl : 19.29s CPU 23.39s WALL ( 20061 calls) add_vuspsi : 7.53s CPU 11.12s WALL ( 20061 calls) General routines calbec : 11.73s CPU 12.23s WALL ( 20061 calls) fft : 0.02s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 222.34s CPU 221.54s WALL ( 1505628 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.15s WALL ( 800 calls) Parallel routines fft_scatter : 208.80s CPU 164.21s WALL ( 1505651 calls) PWSCF : 7m26.89s CPU 7m43.26s WALL This run was terminated on: 16:42:35 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=