Program PWSCF v.5.1.1 starts on 12Oct2015 at 7:34: 6 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BPO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 22 6 892 383 61 Max 40 23 7 895 403 65 Sum 1913 1103 327 42897 18839 3023 bravais-lattice index = 14 lattice parameter (alat) = 8.6023 a.u. unit-cell volume = 433.4541 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.602255 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.534153 celldm(5)= -0.534153 celldm(6)= 0.068306 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.068306 0.997664 0.000000 ) a(3) = ( -0.534153 -0.498832 0.682530 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.068466 0.732569 ) b(2) = ( 0.000000 1.002341 0.732569 ) b(3) = ( 0.000000 0.000000 1.465137 ) PseudoPot. # 1 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 PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0143641), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0287282), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0430923), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0574564), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0718205), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0861845), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.1005486), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.1149127), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.1292768), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.1436409), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1580050), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1723691), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1867332), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.2010973), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.2154614), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.2298255), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.2441895), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.2585536), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.2729177), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.2872818), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.3016459), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.3160100), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.3303741), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.3447382), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.3591023), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.3734664), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.3878304), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.4021945), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.4165586), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.4309227), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.4452868), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.4596509), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.4740150), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.4883791), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.5027432), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.5171073), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.5314714), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.5458354), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.5601995), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.5745636), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.5889277), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.6032918), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.6176559), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.6320200), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.6463841), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.6607482), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.6751122), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.6894764), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.7038404), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.7182045), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.7325686), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.7325686), wk = 0.0026455 k( 54) = ( -0.0094796 0.0101508 0.7325686), wk = 0.0026455 k( 55) = ( -0.0189592 0.0203016 0.7325686), wk = 0.0026455 k( 56) = ( -0.0284388 0.0304525 0.7325686), wk = 0.0026455 k( 57) = ( -0.0379184 0.0406033 0.7325686), wk = 0.0026455 k( 58) = ( -0.0473980 0.0507541 0.7325686), wk = 0.0026455 k( 59) = ( -0.0568776 0.0609049 0.7325686), wk = 0.0026455 k( 60) = ( -0.0663572 0.0710557 0.7325686), wk = 0.0026455 k( 61) = ( -0.0758368 0.0812065 0.7325686), wk = 0.0026455 k( 62) = ( -0.0853164 0.0913574 0.7325686), wk = 0.0026455 k( 63) = ( -0.0947960 0.1015082 0.7325686), wk = 0.0026455 k( 64) = ( -0.1042756 0.1116590 0.7325686), wk = 0.0026455 k( 65) = ( -0.1137552 0.1218098 0.7325686), wk = 0.0026455 k( 66) = ( -0.1232348 0.1319606 0.7325686), wk = 0.0026455 k( 67) = ( -0.1327144 0.1421115 0.7325686), wk = 0.0026455 k( 68) = ( -0.1421940 0.1522623 0.7325686), wk = 0.0026455 k( 69) = ( -0.1516736 0.1624131 0.7325686), wk = 0.0026455 k( 70) = ( -0.1611532 0.1725639 0.7325686), wk = 0.0026455 k( 71) = ( -0.1706328 0.1827147 0.7325686), wk = 0.0026455 k( 72) = ( -0.1801124 0.1928656 0.7325686), wk = 0.0026455 k( 73) = ( -0.1895920 0.2030164 0.7325686), wk = 0.0026455 k( 74) = ( -0.1990716 0.2131672 0.7325686), wk = 0.0026455 k( 75) = ( -0.2085512 0.2233180 0.7325686), wk = 0.0026455 k( 76) = ( -0.2180308 0.2334688 0.7325686), wk = 0.0026455 k( 77) = ( -0.2180308 0.2334688 0.7325686), wk = 0.0026455 k( 78) = ( -0.2247443 0.2406577 0.7227323), wk = 0.0026455 k( 79) = ( -0.2314579 0.2478467 0.7128961), wk = 0.0026455 k( 80) = ( -0.2381714 0.2550356 0.7030598), wk = 0.0026455 k( 81) = ( -0.2448850 0.2622245 0.6932235), wk = 0.0026455 k( 82) = ( -0.2515985 0.2694134 0.6833872), wk = 0.0026455 k( 83) = ( -0.2583121 0.2766023 0.6735510), wk = 0.0026455 k( 84) = ( -0.2650257 0.2837913 0.6637147), wk = 0.0026455 k( 85) = ( -0.2717392 0.2909802 0.6538784), wk = 0.0026455 k( 86) = ( -0.2784528 0.2981691 0.6440421), wk = 0.0026455 k( 87) = ( -0.2851663 0.3053580 0.6342059), wk = 0.0026455 k( 88) = ( -0.2918799 0.3125469 0.6243696), wk = 0.0026455 k( 89) = ( -0.2985934 0.3197358 0.6145333), wk = 0.0026455 k( 90) = ( -0.3053070 0.3269248 0.6046970), wk = 0.0026455 k( 91) = ( -0.3120205 0.3341137 0.5948607), wk = 0.0026455 k( 92) = ( -0.3187341 0.3413026 0.5850245), wk = 0.0026455 k( 93) = ( -0.3254476 0.3484915 0.5751882), wk = 0.0026455 k( 94) = ( -0.3321612 0.3556804 0.5653519), wk = 0.0026455 k( 95) = ( -0.3388747 0.3628694 0.5555156), wk = 0.0026455 k( 96) = ( -0.3455883 0.3700583 0.5456794), wk = 0.0026455 k( 97) = ( -0.3523018 0.3772472 0.5358431), wk = 0.0026455 k( 98) = ( -0.3590154 0.3844361 0.5260068), wk = 0.0026455 k( 99) = ( -0.3590154 0.3844361 0.5260068), wk = 0.0026455 k( 100) = ( -0.3521112 0.3770431 0.5158913), wk = 0.0026455 k( 101) = ( -0.3452071 0.3696501 0.5057758), wk = 0.0026455 k( 102) = ( -0.3383030 0.3622571 0.4956603), wk = 0.0026455 k( 103) = ( -0.3313988 0.3548641 0.4855448), wk = 0.0026455 k( 104) = ( -0.3244947 0.3474711 0.4754292), wk = 0.0026455 k( 105) = ( -0.3175905 0.3400781 0.4653137), wk = 0.0026455 k( 106) = ( -0.3106864 0.3326851 0.4551982), wk = 0.0026455 k( 107) = ( -0.3037822 0.3252921 0.4450827), wk = 0.0026455 k( 108) = ( -0.2968781 0.3178991 0.4349672), wk = 0.0026455 k( 109) = ( -0.2899740 0.3105061 0.4248517), wk = 0.0026455 k( 110) = ( -0.2830698 0.3031131 0.4147361), wk = 0.0026455 k( 111) = ( -0.2761657 0.2957201 0.4046206), wk = 0.0026455 k( 112) = ( -0.2692615 0.2883271 0.3945051), wk = 0.0026455 k( 113) = ( -0.2623574 0.2809341 0.3843896), wk = 0.0026455 k( 114) = ( -0.2554533 0.2735411 0.3742741), wk = 0.0026455 k( 115) = ( -0.2485491 0.2661481 0.3641586), wk = 0.0026455 k( 116) = ( -0.2416450 0.2587551 0.3540430), wk = 0.0026455 k( 117) = ( -0.2347408 0.2513621 0.3439275), wk = 0.0026455 k( 118) = ( -0.2278367 0.2439691 0.3338120), wk = 0.0026455 k( 119) = ( -0.2209326 0.2365761 0.3236965), wk = 0.0026455 k( 120) = ( -0.2140284 0.2291831 0.3135810), wk = 0.0026455 k( 121) = ( -0.2071243 0.2217901 0.3034655), wk = 0.0026455 k( 122) = ( -0.2002201 0.2143971 0.2933500), wk = 0.0026455 k( 123) = ( -0.1933160 0.2070041 0.2832344), wk = 0.0026455 k( 124) = ( -0.1864118 0.1996111 0.2731189), wk = 0.0026455 k( 125) = ( -0.1795077 0.1922180 0.2630034), wk = 0.0026455 k( 126) = ( -0.1726035 0.1848250 0.2528879), wk = 0.0026455 k( 127) = ( -0.1656994 0.1774320 0.2427724), wk = 0.0026455 k( 128) = ( -0.1587953 0.1700390 0.2326569), wk = 0.0026455 k( 129) = ( -0.1518911 0.1626460 0.2225413), wk = 0.0026455 k( 130) = ( -0.1449870 0.1552530 0.2124258), wk = 0.0026455 k( 131) = ( -0.1380828 0.1478600 0.2023103), wk = 0.0026455 k( 132) = ( -0.1311787 0.1404670 0.1921948), wk = 0.0026455 k( 133) = ( -0.1242746 0.1330740 0.1820793), wk = 0.0026455 k( 134) = ( -0.1173704 0.1256810 0.1719638), wk = 0.0026455 k( 135) = ( -0.1104663 0.1182880 0.1618482), wk = 0.0026455 k( 136) = ( -0.1035621 0.1108950 0.1517327), wk = 0.0026455 k( 137) = ( -0.0966580 0.1035020 0.1416172), wk = 0.0026455 k( 138) = ( -0.0897538 0.0961090 0.1315017), wk = 0.0026455 k( 139) = ( -0.0828497 0.0887160 0.1213862), wk = 0.0026455 k( 140) = ( -0.0759456 0.0813230 0.1112707), wk = 0.0026455 k( 141) = ( -0.0690414 0.0739300 0.1011552), wk = 0.0026455 k( 142) = ( -0.0621373 0.0665370 0.0910396), wk = 0.0026455 k( 143) = ( -0.0552331 0.0591440 0.0809241), wk = 0.0026455 k( 144) = ( -0.0483290 0.0517510 0.0708086), wk = 0.0026455 k( 145) = ( -0.0414248 0.0443580 0.0606931), wk = 0.0026455 k( 146) = ( -0.0345207 0.0369650 0.0505776), wk = 0.0026455 k( 147) = ( -0.0276166 0.0295720 0.0404621), wk = 0.0026455 k( 148) = ( -0.0207124 0.0221790 0.0303466), wk = 0.0026455 k( 149) = ( -0.0138083 0.0147860 0.0202310), wk = 0.0026455 k( 150) = ( -0.0069041 0.0073930 0.0101155), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 153) = ( 0.0104167 0.0097279 -0.0000000), wk = 0.0026455 k( 154) = ( 0.0208333 0.0194557 -0.0000000), wk = 0.0026455 k( 155) = ( 0.0312500 0.0291836 -0.0000000), wk = 0.0026455 k( 156) = ( 0.0416667 0.0389115 -0.0000000), wk = 0.0026455 k( 157) = ( 0.0520833 0.0486393 -0.0000000), wk = 0.0026455 k( 158) = ( 0.0625000 0.0583672 -0.0000000), wk = 0.0026455 k( 159) = ( 0.0729167 0.0680951 -0.0000000), wk = 0.0026455 k( 160) = ( 0.0833333 0.0778229 -0.0000000), wk = 0.0026455 k( 161) = ( 0.0937500 0.0875508 -0.0000000), wk = 0.0026455 k( 162) = ( 0.1041667 0.0972787 -0.0000000), wk = 0.0026455 k( 163) = ( 0.1145833 0.1070065 -0.0000000), wk = 0.0026455 k( 164) = ( 0.1250000 0.1167344 -0.0000000), wk = 0.0026455 k( 165) = ( 0.1354167 0.1264623 -0.0000000), wk = 0.0026455 k( 166) = ( 0.1458333 0.1361901 -0.0000000), wk = 0.0026455 k( 167) = ( 0.1562500 0.1459180 -0.0000000), wk = 0.0026455 k( 168) = ( 0.1666667 0.1556459 -0.0000000), wk = 0.0026455 k( 169) = ( 0.1770833 0.1653738 -0.0000000), wk = 0.0026455 k( 170) = ( 0.1875000 0.1751016 -0.0000000), wk = 0.0026455 k( 171) = ( 0.1979167 0.1848295 -0.0000000), wk = 0.0026455 k( 172) = ( 0.2083333 0.1945574 -0.0000000), wk = 0.0026455 k( 173) = ( 0.2187500 0.2042852 -0.0000000), wk = 0.0026455 k( 174) = ( 0.2291667 0.2140131 -0.0000000), wk = 0.0026455 k( 175) = ( 0.2395833 0.2237410 -0.0000000), wk = 0.0026455 k( 176) = ( 0.2500000 0.2334688 -0.0000000), wk = 0.0026455 k( 177) = ( 0.2604167 0.2431967 -0.0000000), wk = 0.0026455 k( 178) = ( 0.2708333 0.2529246 -0.0000000), wk = 0.0026455 k( 179) = ( 0.2812500 0.2626524 -0.0000000), wk = 0.0026455 k( 180) = ( 0.2916667 0.2723803 -0.0000000), wk = 0.0026455 k( 181) = ( 0.3020833 0.2821082 -0.0000000), wk = 0.0026455 k( 182) = ( 0.3125000 0.2918360 -0.0000000), wk = 0.0026455 k( 183) = ( 0.3229167 0.3015639 -0.0000000), wk = 0.0026455 k( 184) = ( 0.3333333 0.3112918 -0.0000000), wk = 0.0026455 k( 185) = ( 0.3437500 0.3210196 -0.0000000), wk = 0.0026455 k( 186) = ( 0.3541667 0.3307475 -0.0000000), wk = 0.0026455 k( 187) = ( 0.3645833 0.3404754 -0.0000000), wk = 0.0026455 k( 188) = ( 0.3750000 0.3502032 -0.0000000), wk = 0.0026455 k( 189) = ( 0.3854167 0.3599311 -0.0000000), wk = 0.0026455 k( 190) = ( 0.3958333 0.3696590 -0.0000000), wk = 0.0026455 k( 191) = ( 0.4062500 0.3793868 -0.0000000), wk = 0.0026455 k( 192) = ( 0.4166667 0.3891147 -0.0000000), wk = 0.0026455 k( 193) = ( 0.4270833 0.3988426 -0.0000000), wk = 0.0026455 k( 194) = ( 0.4375000 0.4085705 -0.0000000), wk = 0.0026455 k( 195) = ( 0.4479167 0.4182983 -0.0000000), wk = 0.0026455 k( 196) = ( 0.4583333 0.4280262 -0.0000000), wk = 0.0026455 k( 197) = ( 0.4687500 0.4377541 -0.0000000), wk = 0.0026455 k( 198) = ( 0.4791667 0.4474819 -0.0000000), wk = 0.0026455 k( 199) = ( 0.4895833 0.4572098 -0.0000000), wk = 0.0026455 k( 200) = ( 0.5000000 0.4669377 -0.0000000), wk = 0.0026455 k( 201) = ( 0.5000000 0.4669377 -0.0000000), wk = 0.0026455 k( 202) = ( 0.4932864 0.4741266 0.0098363), wk = 0.0026455 k( 203) = ( 0.4865729 0.4813155 0.0196726), wk = 0.0026455 k( 204) = ( 0.4798593 0.4885044 0.0295088), wk = 0.0026455 k( 205) = ( 0.4731458 0.4956933 0.0393451), wk = 0.0026455 k( 206) = ( 0.4664322 0.5028822 0.0491814), wk = 0.0026455 k( 207) = ( 0.4597187 0.5100712 0.0590177), wk = 0.0026455 k( 208) = ( 0.4530051 0.5172601 0.0688539), wk = 0.0026455 k( 209) = ( 0.4462916 0.5244490 0.0786902), wk = 0.0026455 k( 210) = ( 0.4395780 0.5316379 0.0885265), wk = 0.0026455 k( 211) = ( 0.4328645 0.5388268 0.0983628), wk = 0.0026455 k( 212) = ( 0.4261509 0.5460158 0.1081990), wk = 0.0026455 k( 213) = ( 0.4194374 0.5532047 0.1180353), wk = 0.0026455 k( 214) = ( 0.4127238 0.5603936 0.1278716), wk = 0.0026455 k( 215) = ( 0.4060103 0.5675825 0.1377079), wk = 0.0026455 k( 216) = ( 0.3992967 0.5747714 0.1475441), wk = 0.0026455 k( 217) = ( 0.3925831 0.5819603 0.1573804), wk = 0.0026455 k( 218) = ( 0.3858696 0.5891493 0.1672167), wk = 0.0026455 k( 219) = ( 0.3791561 0.5963382 0.1770530), wk = 0.0026455 k( 220) = ( 0.3724425 0.6035271 0.1868893), wk = 0.0026455 k( 221) = ( 0.3657289 0.6107160 0.1967255), wk = 0.0026455 k( 222) = ( 0.3590154 0.6179049 0.2065618), wk = 0.0026455 k( 223) = ( 0.3590154 0.6179049 0.2065618), wk = 0.0026455 k( 224) = ( 0.3466356 0.6138796 0.2120695), wk = 0.0026455 k( 225) = ( 0.3342557 0.6098543 0.2175771), wk = 0.0026455 k( 226) = ( 0.3218759 0.6058290 0.2230848), wk = 0.0026455 k( 227) = ( 0.3094960 0.6018036 0.2285925), wk = 0.0026455 k( 228) = ( 0.2971162 0.5977783 0.2341002), wk = 0.0026455 k( 229) = ( 0.2847363 0.5937530 0.2396078), wk = 0.0026455 k( 230) = ( 0.2723565 0.5897277 0.2451155), wk = 0.0026455 k( 231) = ( 0.2599767 0.5857023 0.2506232), wk = 0.0026455 k( 232) = ( 0.2475968 0.5816770 0.2561309), wk = 0.0026455 k( 233) = ( 0.2352170 0.5776517 0.2616385), wk = 0.0026455 k( 234) = ( 0.2228371 0.5736264 0.2671462), wk = 0.0026455 k( 235) = ( 0.2104573 0.5696010 0.2726539), wk = 0.0026455 k( 236) = ( 0.1980775 0.5655757 0.2781615), wk = 0.0026455 k( 237) = ( 0.1856976 0.5615504 0.2836692), wk = 0.0026455 k( 238) = ( 0.1733178 0.5575251 0.2891769), wk = 0.0026455 k( 239) = ( 0.1609379 0.5534997 0.2946846), wk = 0.0026455 k( 240) = ( 0.1485581 0.5494744 0.3001922), wk = 0.0026455 k( 241) = ( 0.1361783 0.5454491 0.3056999), wk = 0.0026455 k( 242) = ( 0.1237984 0.5414238 0.3112076), wk = 0.0026455 k( 243) = ( 0.1114186 0.5373984 0.3167153), wk = 0.0026455 k( 244) = ( 0.0990387 0.5333731 0.3222229), wk = 0.0026455 k( 245) = ( 0.0866589 0.5293478 0.3277306), wk = 0.0026455 k( 246) = ( 0.0742790 0.5253225 0.3332383), wk = 0.0026455 k( 247) = ( 0.0618992 0.5212971 0.3387459), wk = 0.0026455 k( 248) = ( 0.0495194 0.5172718 0.3442536), wk = 0.0026455 k( 249) = ( 0.0371395 0.5132465 0.3497613), wk = 0.0026455 k( 250) = ( 0.0247597 0.5092212 0.3552690), wk = 0.0026455 k( 251) = ( 0.0123798 0.5051958 0.3607766), wk = 0.0026455 k( 252) = ( 0.0000000 0.5011705 0.3662843), wk = 0.0026455 k( 253) = ( 0.0000000 0.5011705 0.3662843), wk = 0.0026455 k( 254) = ( 0.0069444 0.4937344 0.3764589), wk = 0.0026455 k( 255) = ( 0.0138889 0.4862982 0.3866334), wk = 0.0026455 k( 256) = ( 0.0208333 0.4788620 0.3968080), wk = 0.0026455 k( 257) = ( 0.0277778 0.4714259 0.4069826), wk = 0.0026455 k( 258) = ( 0.0347222 0.4639897 0.4171571), wk = 0.0026455 k( 259) = ( 0.0416667 0.4565536 0.4273317), wk = 0.0026455 k( 260) = ( 0.0486111 0.4491174 0.4375063), wk = 0.0026455 k( 261) = ( 0.0555556 0.4416812 0.4476808), wk = 0.0026455 k( 262) = ( 0.0625000 0.4342451 0.4578554), wk = 0.0026455 k( 263) = ( 0.0694444 0.4268089 0.4680299), wk = 0.0026455 k( 264) = ( 0.0763889 0.4193728 0.4782045), wk = 0.0026455 k( 265) = ( 0.0833333 0.4119366 0.4883791), wk = 0.0026455 k( 266) = ( 0.0902778 0.4045005 0.4985536), wk = 0.0026455 k( 267) = ( 0.0972222 0.3970643 0.5087282), wk = 0.0026455 k( 268) = ( 0.1041667 0.3896281 0.5189028), wk = 0.0026455 k( 269) = ( 0.1111111 0.3821920 0.5290773), wk = 0.0026455 k( 270) = ( 0.1180556 0.3747558 0.5392519), wk = 0.0026455 k( 271) = ( 0.1250000 0.3673197 0.5494265), wk = 0.0026455 k( 272) = ( 0.1319444 0.3598835 0.5596010), wk = 0.0026455 k( 273) = ( 0.1388889 0.3524474 0.5697756), wk = 0.0026455 k( 274) = ( 0.1458333 0.3450112 0.5799501), wk = 0.0026455 k( 275) = ( 0.1527778 0.3375750 0.5901247), wk = 0.0026455 k( 276) = ( 0.1597222 0.3301389 0.6002993), wk = 0.0026455 k( 277) = ( 0.1666667 0.3227027 0.6104739), wk = 0.0026455 k( 278) = ( 0.1736111 0.3152666 0.6206484), wk = 0.0026455 k( 279) = ( 0.1805556 0.3078304 0.6308230), wk = 0.0026455 k( 280) = ( 0.1875000 0.3003943 0.6409975), wk = 0.0026455 k( 281) = ( 0.1944444 0.2929581 0.6511721), wk = 0.0026455 k( 282) = ( 0.2013889 0.2855219 0.6613467), wk = 0.0026455 k( 283) = ( 0.2083333 0.2780858 0.6715212), wk = 0.0026455 k( 284) = ( 0.2152778 0.2706496 0.6816958), wk = 0.0026455 k( 285) = ( 0.2222222 0.2632135 0.6918704), wk = 0.0026455 k( 286) = ( 0.2291667 0.2557773 0.7020449), wk = 0.0026455 k( 287) = ( 0.2361111 0.2483411 0.7122195), wk = 0.0026455 k( 288) = ( 0.2430556 0.2409050 0.7223941), wk = 0.0026455 k( 289) = ( 0.2500000 0.2334688 0.7325686), wk = 0.0026455 k( 290) = ( 0.2500000 0.2334688 0.7325686), wk = 0.0026455 k( 291) = ( 0.2575758 0.2405436 0.7228885), wk = 0.0026455 k( 292) = ( 0.2651515 0.2476185 0.7132083), wk = 0.0026455 k( 293) = ( 0.2727273 0.2546933 0.7035282), wk = 0.0026455 k( 294) = ( 0.2803030 0.2617681 0.6938480), wk = 0.0026455 k( 295) = ( 0.2878788 0.2688429 0.6841679), wk = 0.0026455 k( 296) = ( 0.2954545 0.2759177 0.6744877), wk = 0.0026455 k( 297) = ( 0.3030303 0.2829925 0.6648075), wk = 0.0026455 k( 298) = ( 0.3106061 0.2900673 0.6551274), wk = 0.0026455 k( 299) = ( 0.3181818 0.2971421 0.6454472), wk = 0.0026455 k( 300) = ( 0.3257576 0.3042170 0.6357671), wk = 0.0026455 k( 301) = ( 0.3333333 0.3112918 0.6260869), wk = 0.0026455 k( 302) = ( 0.3409091 0.3183666 0.6164068), wk = 0.0026455 k( 303) = ( 0.3484849 0.3254414 0.6067266), wk = 0.0026455 k( 304) = ( 0.3560606 0.3325162 0.5970465), wk = 0.0026455 k( 305) = ( 0.3636364 0.3395910 0.5873663), wk = 0.0026455 k( 306) = ( 0.3712121 0.3466658 0.5776862), wk = 0.0026455 k( 307) = ( 0.3787879 0.3537407 0.5680060), wk = 0.0026455 k( 308) = ( 0.3863636 0.3608155 0.5583259), wk = 0.0026455 k( 309) = ( 0.3939394 0.3678903 0.5486457), wk = 0.0026455 k( 310) = ( 0.4015151 0.3749651 0.5389656), wk = 0.0026455 k( 311) = ( 0.4090909 0.3820399 0.5292854), wk = 0.0026455 k( 312) = ( 0.4166667 0.3891147 0.5196053), wk = 0.0026455 k( 313) = ( 0.4242424 0.3961895 0.5099251), wk = 0.0026455 k( 314) = ( 0.4318182 0.4032643 0.5002450), wk = 0.0026455 k( 315) = ( 0.4393939 0.4103392 0.4905648), wk = 0.0026455 k( 316) = ( 0.4469697 0.4174140 0.4808847), wk = 0.0026455 k( 317) = ( 0.4545455 0.4244888 0.4712045), wk = 0.0026455 k( 318) = ( 0.4621212 0.4315636 0.4615244), wk = 0.0026455 k( 319) = ( 0.4696970 0.4386384 0.4518442), wk = 0.0026455 k( 320) = ( 0.4772727 0.4457132 0.4421641), wk = 0.0026455 k( 321) = ( 0.4848485 0.4527880 0.4324839), wk = 0.0026455 k( 322) = ( 0.4924242 0.4598628 0.4228037), wk = 0.0026455 k( 323) = ( 0.5000000 0.4669377 0.4131236), wk = 0.0026455 k( 324) = ( 0.5000000 0.4669377 0.4131236), wk = 0.0026455 k( 325) = ( 0.5000000 0.4669377 0.3988780), wk = 0.0026455 k( 326) = ( 0.5000000 0.4669377 0.3846323), wk = 0.0026455 k( 327) = ( 0.5000000 0.4669377 0.3703867), wk = 0.0026455 k( 328) = ( 0.5000000 0.4669377 0.3561410), wk = 0.0026455 k( 329) = ( 0.5000000 0.4669377 0.3418954), wk = 0.0026455 k( 330) = ( 0.5000000 0.4669377 0.3276498), wk = 0.0026455 k( 331) = ( 0.5000000 0.4669377 0.3134041), wk = 0.0026455 k( 332) = ( 0.5000000 0.4669377 0.2991585), wk = 0.0026455 k( 333) = ( 0.5000000 0.4669377 0.2849128), wk = 0.0026455 k( 334) = ( 0.5000000 0.4669377 0.2706672), wk = 0.0026455 k( 335) = ( 0.5000000 0.4669377 0.2564215), wk = 0.0026455 k( 336) = ( 0.5000000 0.4669377 0.2421759), wk = 0.0026455 k( 337) = ( 0.5000000 0.4669377 0.2279303), wk = 0.0026455 k( 338) = ( 0.5000000 0.4669377 0.2136846), wk = 0.0026455 k( 339) = ( 0.5000000 0.4669377 0.1994390), wk = 0.0026455 k( 340) = ( 0.5000000 0.4669377 0.1851933), wk = 0.0026455 k( 341) = ( 0.5000000 0.4669377 0.1709477), wk = 0.0026455 k( 342) = ( 0.5000000 0.4669377 0.1567021), wk = 0.0026455 k( 343) = ( 0.5000000 0.4669377 0.1424564), wk = 0.0026455 k( 344) = ( 0.5000000 0.4669377 0.1282108), wk = 0.0026455 k( 345) = ( 0.5000000 0.4669377 0.1139651), wk = 0.0026455 k( 346) = ( 0.5000000 0.4669377 0.0997195), wk = 0.0026455 k( 347) = ( 0.5000000 0.4669377 0.0854738), wk = 0.0026455 k( 348) = ( 0.5000000 0.4669377 0.0712282), wk = 0.0026455 k( 349) = ( 0.5000000 0.4669377 0.0569826), wk = 0.0026455 k( 350) = ( 0.5000000 0.4669377 0.0427369), wk = 0.0026455 k( 351) = ( 0.5000000 0.4669377 0.0284913), wk = 0.0026455 k( 352) = ( 0.5000000 0.4669377 0.0142456), wk = 0.0026455 k( 353) = ( 0.5000000 0.4669377 -0.0000000), wk = 0.0026455 k( 354) = ( 0.0000000 0.0000000 0.7325686), wk = 0.0026455 k( 355) = ( 0.0104167 0.0097279 0.7325686), wk = 0.0026455 k( 356) = ( 0.0208333 0.0194557 0.7325686), wk = 0.0026455 k( 357) = ( 0.0312500 0.0291836 0.7325686), wk = 0.0026455 k( 358) = ( 0.0416667 0.0389115 0.7325686), wk = 0.0026455 k( 359) = ( 0.0520833 0.0486393 0.7325686), wk = 0.0026455 k( 360) = ( 0.0625000 0.0583672 0.7325686), wk = 0.0026455 k( 361) = ( 0.0729167 0.0680951 0.7325686), wk = 0.0026455 k( 362) = ( 0.0833333 0.0778229 0.7325686), wk = 0.0026455 k( 363) = ( 0.0937500 0.0875508 0.7325686), wk = 0.0026455 k( 364) = ( 0.1041667 0.0972787 0.7325686), wk = 0.0026455 k( 365) = ( 0.1145833 0.1070065 0.7325686), wk = 0.0026455 k( 366) = ( 0.1250000 0.1167344 0.7325686), wk = 0.0026455 k( 367) = ( 0.1354167 0.1264623 0.7325686), wk = 0.0026455 k( 368) = ( 0.1458333 0.1361901 0.7325686), wk = 0.0026455 k( 369) = ( 0.1562500 0.1459180 0.7325686), wk = 0.0026455 k( 370) = ( 0.1666667 0.1556459 0.7325686), wk = 0.0026455 k( 371) = ( 0.1770833 0.1653738 0.7325686), wk = 0.0026455 k( 372) = ( 0.1875000 0.1751016 0.7325686), wk = 0.0026455 k( 373) = ( 0.1979167 0.1848295 0.7325686), wk = 0.0026455 k( 374) = ( 0.2083333 0.1945574 0.7325686), wk = 0.0026455 k( 375) = ( 0.2187500 0.2042852 0.7325686), wk = 0.0026455 k( 376) = ( 0.2291667 0.2140131 0.7325686), wk = 0.0026455 k( 377) = ( 0.2395833 0.2237410 0.7325686), wk = 0.0026455 k( 378) = ( 0.2500000 0.2334688 0.7325686), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 54) = ( -0.0094796 0.0094796 0.5000000), wk = 0.0026455 k( 55) = ( -0.0189592 0.0189592 0.5000000), wk = 0.0026455 k( 56) = ( -0.0284388 0.0284388 0.5000000), wk = 0.0026455 k( 57) = ( -0.0379184 0.0379184 0.5000000), wk = 0.0026455 k( 58) = ( -0.0473980 0.0473980 0.5000000), wk = 0.0026455 k( 59) = ( -0.0568776 0.0568776 0.5000000), wk = 0.0026455 k( 60) = ( -0.0663572 0.0663572 0.5000000), wk = 0.0026455 k( 61) = ( -0.0758368 0.0758368 0.5000000), wk = 0.0026455 k( 62) = ( -0.0853164 0.0853164 0.5000000), wk = 0.0026455 k( 63) = ( -0.0947960 0.0947960 0.5000000), wk = 0.0026455 k( 64) = ( -0.1042756 0.1042756 0.5000000), wk = 0.0026455 k( 65) = ( -0.1137552 0.1137552 0.5000000), wk = 0.0026455 k( 66) = ( -0.1232348 0.1232348 0.5000000), wk = 0.0026455 k( 67) = ( -0.1327144 0.1327144 0.5000000), wk = 0.0026455 k( 68) = ( -0.1421940 0.1421940 0.5000000), wk = 0.0026455 k( 69) = ( -0.1516736 0.1516736 0.5000000), wk = 0.0026455 k( 70) = ( -0.1611532 0.1611532 0.5000000), wk = 0.0026455 k( 71) = ( -0.1706328 0.1706328 0.5000000), wk = 0.0026455 k( 72) = ( -0.1801124 0.1801124 0.5000000), wk = 0.0026455 k( 73) = ( -0.1895920 0.1895920 0.5000000), wk = 0.0026455 k( 74) = ( -0.1990716 0.1990716 0.5000000), wk = 0.0026455 k( 75) = ( -0.2085512 0.2085512 0.5000000), wk = 0.0026455 k( 76) = ( -0.2180308 0.2180308 0.5000000), wk = 0.0026455 k( 77) = ( -0.2180308 0.2180308 0.5000000), wk = 0.0026455 k( 78) = ( -0.2247443 0.2247443 0.4932864), wk = 0.0026455 k( 79) = ( -0.2314579 0.2314579 0.4865729), wk = 0.0026455 k( 80) = ( -0.2381714 0.2381714 0.4798593), wk = 0.0026455 k( 81) = ( -0.2448850 0.2448850 0.4731458), wk = 0.0026455 k( 82) = ( -0.2515985 0.2515985 0.4664322), wk = 0.0026455 k( 83) = ( -0.2583121 0.2583121 0.4597187), wk = 0.0026455 k( 84) = ( -0.2650257 0.2650257 0.4530051), wk = 0.0026455 k( 85) = ( -0.2717392 0.2717392 0.4462916), wk = 0.0026455 k( 86) = ( -0.2784528 0.2784528 0.4395780), wk = 0.0026455 k( 87) = ( -0.2851663 0.2851663 0.4328645), wk = 0.0026455 k( 88) = ( -0.2918799 0.2918799 0.4261509), wk = 0.0026455 k( 89) = ( -0.2985934 0.2985934 0.4194374), wk = 0.0026455 k( 90) = ( -0.3053070 0.3053070 0.4127238), wk = 0.0026455 k( 91) = ( -0.3120205 0.3120205 0.4060103), wk = 0.0026455 k( 92) = ( -0.3187341 0.3187341 0.3992967), wk = 0.0026455 k( 93) = ( -0.3254476 0.3254476 0.3925831), wk = 0.0026455 k( 94) = ( -0.3321612 0.3321612 0.3858696), wk = 0.0026455 k( 95) = ( -0.3388747 0.3388747 0.3791561), wk = 0.0026455 k( 96) = ( -0.3455883 0.3455883 0.3724425), wk = 0.0026455 k( 97) = ( -0.3523018 0.3523018 0.3657289), wk = 0.0026455 k( 98) = ( -0.3590154 0.3590154 0.3590154), wk = 0.0026455 k( 99) = ( -0.3590154 0.3590154 0.3590154), wk = 0.0026455 k( 100) = ( -0.3521112 0.3521112 0.3521113), wk = 0.0026455 k( 101) = ( -0.3452071 0.3452071 0.3452071), wk = 0.0026455 k( 102) = ( -0.3383030 0.3383030 0.3383030), wk = 0.0026455 k( 103) = ( -0.3313988 0.3313988 0.3313988), wk = 0.0026455 k( 104) = ( -0.3244947 0.3244947 0.3244947), wk = 0.0026455 k( 105) = ( -0.3175905 0.3175905 0.3175905), wk = 0.0026455 k( 106) = ( -0.3106864 0.3106864 0.3106864), wk = 0.0026455 k( 107) = ( -0.3037822 0.3037823 0.3037822), wk = 0.0026455 k( 108) = ( -0.2968781 0.2968781 0.2968781), wk = 0.0026455 k( 109) = ( -0.2899740 0.2899740 0.2899740), wk = 0.0026455 k( 110) = ( -0.2830698 0.2830698 0.2830698), wk = 0.0026455 k( 111) = ( -0.2761657 0.2761657 0.2761657), wk = 0.0026455 k( 112) = ( -0.2692615 0.2692615 0.2692615), wk = 0.0026455 k( 113) = ( -0.2623574 0.2623574 0.2623574), wk = 0.0026455 k( 114) = ( -0.2554533 0.2554533 0.2554533), wk = 0.0026455 k( 115) = ( -0.2485491 0.2485491 0.2485491), wk = 0.0026455 k( 116) = ( -0.2416450 0.2416450 0.2416450), wk = 0.0026455 k( 117) = ( -0.2347408 0.2347408 0.2347408), wk = 0.0026455 k( 118) = ( -0.2278367 0.2278367 0.2278367), wk = 0.0026455 k( 119) = ( -0.2209326 0.2209326 0.2209326), wk = 0.0026455 k( 120) = ( -0.2140284 0.2140284 0.2140284), wk = 0.0026455 k( 121) = ( -0.2071243 0.2071243 0.2071243), wk = 0.0026455 k( 122) = ( -0.2002201 0.2002201 0.2002201), wk = 0.0026455 k( 123) = ( -0.1933160 0.1933160 0.1933160), wk = 0.0026455 k( 124) = ( -0.1864118 0.1864118 0.1864118), wk = 0.0026455 k( 125) = ( -0.1795077 0.1795077 0.1795077), wk = 0.0026455 k( 126) = ( -0.1726035 0.1726035 0.1726035), wk = 0.0026455 k( 127) = ( -0.1656994 0.1656994 0.1656994), wk = 0.0026455 k( 128) = ( -0.1587953 0.1587953 0.1587953), wk = 0.0026455 k( 129) = ( -0.1518911 0.1518911 0.1518911), wk = 0.0026455 k( 130) = ( -0.1449870 0.1449870 0.1449870), wk = 0.0026455 k( 131) = ( -0.1380828 0.1380828 0.1380828), wk = 0.0026455 k( 132) = ( -0.1311787 0.1311787 0.1311787), wk = 0.0026455 k( 133) = ( -0.1242746 0.1242746 0.1242746), wk = 0.0026455 k( 134) = ( -0.1173704 0.1173704 0.1173704), wk = 0.0026455 k( 135) = ( -0.1104663 0.1104663 0.1104663), wk = 0.0026455 k( 136) = ( -0.1035621 0.1035621 0.1035621), wk = 0.0026455 k( 137) = ( -0.0966580 0.0966580 0.0966580), wk = 0.0026455 k( 138) = ( -0.0897538 0.0897538 0.0897538), wk = 0.0026455 k( 139) = ( -0.0828497 0.0828497 0.0828497), wk = 0.0026455 k( 140) = ( -0.0759456 0.0759456 0.0759456), wk = 0.0026455 k( 141) = ( -0.0690414 0.0690414 0.0690414), wk = 0.0026455 k( 142) = ( -0.0621373 0.0621373 0.0621373), wk = 0.0026455 k( 143) = ( -0.0552331 0.0552331 0.0552331), wk = 0.0026455 k( 144) = ( -0.0483290 0.0483290 0.0483290), wk = 0.0026455 k( 145) = ( -0.0414248 0.0414248 0.0414249), wk = 0.0026455 k( 146) = ( -0.0345207 0.0345207 0.0345207), wk = 0.0026455 k( 147) = ( -0.0276166 0.0276166 0.0276166), wk = 0.0026455 k( 148) = ( -0.0207124 0.0207124 0.0207124), wk = 0.0026455 k( 149) = ( -0.0138083 0.0138083 0.0138083), wk = 0.0026455 k( 150) = ( -0.0069041 0.0069041 0.0069041), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 153) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0026455 k( 154) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0026455 k( 155) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0026455 k( 156) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026455 k( 157) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0026455 k( 158) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026455 k( 159) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0026455 k( 160) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026455 k( 161) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0026455 k( 162) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0026455 k( 163) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0026455 k( 164) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026455 k( 165) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0026455 k( 166) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0026455 k( 167) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0026455 k( 168) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026455 k( 169) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0026455 k( 170) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026455 k( 171) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0026455 k( 172) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026455 k( 173) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0026455 k( 174) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0026455 k( 175) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0026455 k( 176) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026455 k( 177) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0026455 k( 178) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0026455 k( 179) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0026455 k( 180) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026455 k( 181) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0026455 k( 182) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026455 k( 183) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0026455 k( 184) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026455 k( 185) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0026455 k( 186) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0026455 k( 187) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0026455 k( 188) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026455 k( 189) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0026455 k( 190) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0026455 k( 191) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0026455 k( 192) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026455 k( 193) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0026455 k( 194) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026455 k( 195) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0026455 k( 196) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026455 k( 197) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0026455 k( 198) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0026455 k( 199) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0026455 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 202) = ( 0.4932864 0.5067136 -0.4932865), wk = 0.0026455 k( 203) = ( 0.4865729 0.5134271 -0.4865729), wk = 0.0026455 k( 204) = ( 0.4798593 0.5201407 -0.4798593), wk = 0.0026455 k( 205) = ( 0.4731458 0.5268542 -0.4731458), wk = 0.0026455 k( 206) = ( 0.4664322 0.5335678 -0.4664322), wk = 0.0026455 k( 207) = ( 0.4597187 0.5402813 -0.4597187), wk = 0.0026455 k( 208) = ( 0.4530051 0.5469949 -0.4530051), wk = 0.0026455 k( 209) = ( 0.4462916 0.5537084 -0.4462916), wk = 0.0026455 k( 210) = ( 0.4395780 0.5604220 -0.4395780), wk = 0.0026455 k( 211) = ( 0.4328645 0.5671355 -0.4328645), wk = 0.0026455 k( 212) = ( 0.4261509 0.5738491 -0.4261509), wk = 0.0026455 k( 213) = ( 0.4194374 0.5805626 -0.4194374), wk = 0.0026455 k( 214) = ( 0.4127238 0.5872762 -0.4127238), wk = 0.0026455 k( 215) = ( 0.4060103 0.5939897 -0.4060103), wk = 0.0026455 k( 216) = ( 0.3992967 0.6007033 -0.3992967), wk = 0.0026455 k( 217) = ( 0.3925831 0.6074168 -0.3925831), wk = 0.0026455 k( 218) = ( 0.3858696 0.6141304 -0.3858696), wk = 0.0026455 k( 219) = ( 0.3791561 0.6208440 -0.3791561), wk = 0.0026455 k( 220) = ( 0.3724425 0.6275575 -0.3724425), wk = 0.0026455 k( 221) = ( 0.3657289 0.6342711 -0.3657289), wk = 0.0026455 k( 222) = ( 0.3590154 0.6409846 -0.3590154), wk = 0.0026455 k( 223) = ( 0.3590154 0.6409846 -0.3590154), wk = 0.0026455 k( 224) = ( 0.3466356 0.6361231 -0.3466355), wk = 0.0026455 k( 225) = ( 0.3342557 0.6312615 -0.3342557), wk = 0.0026455 k( 226) = ( 0.3218759 0.6264000 -0.3218759), wk = 0.0026455 k( 227) = ( 0.3094960 0.6215385 -0.3094960), wk = 0.0026455 k( 228) = ( 0.2971162 0.6166769 -0.2971162), wk = 0.0026455 k( 229) = ( 0.2847363 0.6118154 -0.2847363), wk = 0.0026455 k( 230) = ( 0.2723565 0.6069538 -0.2723565), wk = 0.0026455 k( 231) = ( 0.2599767 0.6020923 -0.2599767), wk = 0.0026455 k( 232) = ( 0.2475968 0.5972308 -0.2475968), wk = 0.0026455 k( 233) = ( 0.2352170 0.5923692 -0.2352170), wk = 0.0026455 k( 234) = ( 0.2228371 0.5875077 -0.2228371), wk = 0.0026455 k( 235) = ( 0.2104573 0.5826461 -0.2104573), wk = 0.0026455 k( 236) = ( 0.1980775 0.5777846 -0.1980775), wk = 0.0026455 k( 237) = ( 0.1856976 0.5729231 -0.1856976), wk = 0.0026455 k( 238) = ( 0.1733178 0.5680615 -0.1733178), wk = 0.0026455 k( 239) = ( 0.1609379 0.5632000 -0.1609379), wk = 0.0026455 k( 240) = ( 0.1485581 0.5583385 -0.1485581), wk = 0.0026455 k( 241) = ( 0.1361783 0.5534769 -0.1361782), wk = 0.0026455 k( 242) = ( 0.1237984 0.5486154 -0.1237984), wk = 0.0026455 k( 243) = ( 0.1114186 0.5437538 -0.1114186), wk = 0.0026455 k( 244) = ( 0.0990387 0.5388923 -0.0990387), wk = 0.0026455 k( 245) = ( 0.0866589 0.5340308 -0.0866589), wk = 0.0026455 k( 246) = ( 0.0742790 0.5291692 -0.0742790), wk = 0.0026455 k( 247) = ( 0.0618992 0.5243077 -0.0618992), wk = 0.0026455 k( 248) = ( 0.0495194 0.5194462 -0.0495194), wk = 0.0026455 k( 249) = ( 0.0371395 0.5145846 -0.0371395), wk = 0.0026455 k( 250) = ( 0.0247597 0.5097231 -0.0247597), wk = 0.0026455 k( 251) = ( 0.0123798 0.5048615 -0.0123798), wk = 0.0026455 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 253) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 254) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0026455 k( 255) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0026455 k( 256) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0026455 k( 257) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0026455 k( 258) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0026455 k( 259) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0026455 k( 260) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0026455 k( 261) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0026455 k( 262) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026455 k( 263) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0026455 k( 264) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0026455 k( 265) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0026455 k( 266) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0026455 k( 267) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0026455 k( 268) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0026455 k( 269) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0026455 k( 270) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0026455 k( 271) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026455 k( 272) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0026455 k( 273) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0026455 k( 274) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0026455 k( 275) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0026455 k( 276) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0026455 k( 277) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0026455 k( 278) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0026455 k( 279) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0026455 k( 280) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026455 k( 281) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0026455 k( 282) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0026455 k( 283) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0026455 k( 284) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0026455 k( 285) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0026455 k( 286) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0026455 k( 287) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0026455 k( 288) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0026455 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 291) = ( 0.2575758 0.2575758 0.2358173), wk = 0.0026455 k( 292) = ( 0.2651515 0.2651515 0.2216345), wk = 0.0026455 k( 293) = ( 0.2727273 0.2727273 0.2074517), wk = 0.0026455 k( 294) = ( 0.2803030 0.2803030 0.1932690), wk = 0.0026455 k( 295) = ( 0.2878788 0.2878788 0.1790863), wk = 0.0026455 k( 296) = ( 0.2954545 0.2954545 0.1649035), wk = 0.0026455 k( 297) = ( 0.3030303 0.3030303 0.1507207), wk = 0.0026455 k( 298) = ( 0.3106061 0.3106061 0.1365380), wk = 0.0026455 k( 299) = ( 0.3181818 0.3181818 0.1223552), wk = 0.0026455 k( 300) = ( 0.3257576 0.3257576 0.1081725), wk = 0.0026455 k( 301) = ( 0.3333333 0.3333333 0.0939897), wk = 0.0026455 k( 302) = ( 0.3409091 0.3409091 0.0798070), wk = 0.0026455 k( 303) = ( 0.3484849 0.3484849 0.0656242), wk = 0.0026455 k( 304) = ( 0.3560606 0.3560606 0.0514415), wk = 0.0026455 k( 305) = ( 0.3636364 0.3636364 0.0372587), wk = 0.0026455 k( 306) = ( 0.3712121 0.3712121 0.0230760), wk = 0.0026455 k( 307) = ( 0.3787879 0.3787879 0.0088932), wk = 0.0026455 k( 308) = ( 0.3863636 0.3863636 -0.0052895), wk = 0.0026455 k( 309) = ( 0.3939394 0.3939394 -0.0194723), wk = 0.0026455 k( 310) = ( 0.4015151 0.4015152 -0.0336550), wk = 0.0026455 k( 311) = ( 0.4090909 0.4090909 -0.0478378), wk = 0.0026455 k( 312) = ( 0.4166667 0.4166667 -0.0620205), wk = 0.0026455 k( 313) = ( 0.4242424 0.4242424 -0.0762033), wk = 0.0026455 k( 314) = ( 0.4318182 0.4318182 -0.0903860), wk = 0.0026455 k( 315) = ( 0.4393939 0.4393939 -0.1045688), wk = 0.0026455 k( 316) = ( 0.4469697 0.4469697 -0.1187515), wk = 0.0026455 k( 317) = ( 0.4545455 0.4545455 -0.1329343), wk = 0.0026455 k( 318) = ( 0.4621212 0.4621212 -0.1471170), wk = 0.0026455 k( 319) = ( 0.4696970 0.4696970 -0.1612998), wk = 0.0026455 k( 320) = ( 0.4772727 0.4772727 -0.1754825), wk = 0.0026455 k( 321) = ( 0.4848485 0.4848485 -0.1896653), wk = 0.0026455 k( 322) = ( 0.4924242 0.4924242 -0.2038480), wk = 0.0026455 k( 323) = ( 0.5000000 0.5000000 -0.2180308), wk = 0.0026455 k( 324) = ( 0.5000000 0.5000000 -0.2180308), wk = 0.0026455 k( 325) = ( 0.5000000 0.5000000 -0.2277538), wk = 0.0026455 k( 326) = ( 0.5000000 0.5000000 -0.2374769), wk = 0.0026455 k( 327) = ( 0.5000000 0.5000000 -0.2472000), wk = 0.0026455 k( 328) = ( 0.5000000 0.5000000 -0.2569231), wk = 0.0026455 k( 329) = ( 0.5000000 0.5000000 -0.2666462), wk = 0.0026455 k( 330) = ( 0.5000000 0.5000000 -0.2763692), wk = 0.0026455 k( 331) = ( 0.5000000 0.5000000 -0.2860923), wk = 0.0026455 k( 332) = ( 0.5000000 0.5000000 -0.2958154), wk = 0.0026455 k( 333) = ( 0.5000000 0.5000000 -0.3055385), wk = 0.0026455 k( 334) = ( 0.5000000 0.5000000 -0.3152615), wk = 0.0026455 k( 335) = ( 0.5000000 0.5000000 -0.3249846), wk = 0.0026455 k( 336) = ( 0.5000000 0.5000000 -0.3347077), wk = 0.0026455 k( 337) = ( 0.5000000 0.5000000 -0.3444308), wk = 0.0026455 k( 338) = ( 0.5000000 0.5000000 -0.3541538), wk = 0.0026455 k( 339) = ( 0.5000000 0.5000000 -0.3638769), wk = 0.0026455 k( 340) = ( 0.5000000 0.5000000 -0.3736000), wk = 0.0026455 k( 341) = ( 0.5000000 0.5000000 -0.3833231), wk = 0.0026455 k( 342) = ( 0.5000000 0.5000000 -0.3930462), wk = 0.0026455 k( 343) = ( 0.5000000 0.5000000 -0.4027692), wk = 0.0026455 k( 344) = ( 0.5000000 0.5000000 -0.4124923), wk = 0.0026455 k( 345) = ( 0.5000000 0.5000000 -0.4222154), wk = 0.0026455 k( 346) = ( 0.5000000 0.5000000 -0.4319385), wk = 0.0026455 k( 347) = ( 0.5000000 0.5000000 -0.4416615), wk = 0.0026455 k( 348) = ( 0.5000000 0.5000000 -0.4513846), wk = 0.0026455 k( 349) = ( 0.5000000 0.5000000 -0.4611077), wk = 0.0026455 k( 350) = ( 0.5000000 0.5000000 -0.4708308), wk = 0.0026455 k( 351) = ( 0.5000000 0.5000000 -0.4805539), wk = 0.0026455 k( 352) = ( 0.5000000 0.5000000 -0.4902769), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 355) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026455 k( 356) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026455 k( 357) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026455 k( 358) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026455 k( 359) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026455 k( 360) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026455 k( 361) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026455 k( 362) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026455 k( 363) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026455 k( 364) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026455 k( 365) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026455 k( 366) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026455 k( 367) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026455 k( 368) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026455 k( 369) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026455 k( 370) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026455 k( 371) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026455 k( 372) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026455 k( 373) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026455 k( 374) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026455 k( 375) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026455 k( 376) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026455 k( 377) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026455 k( 378) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 Dense grid: 42897 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18839 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 110, 40) NL pseudopotentials 0.09 Mb ( 55, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 895) G-vector shells 0.00 Mb ( 416) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 110, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 104, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BPO4.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 43.1 secs Computing kpt #: 2 total cpu time spent up to now is 44.3 secs Computing kpt #: 3 total cpu time spent up to now is 45.4 secs Computing kpt #: 4 total cpu time spent up to now is 46.5 secs Computing kpt #: 5 total cpu time spent up to now is 47.6 secs Computing kpt #: 6 total cpu time spent up to now is 48.8 secs Computing kpt #: 7 total cpu time spent up to now is 50.0 secs Computing kpt #: 8 total cpu time spent up to now is 51.1 secs Computing kpt #: 9 total cpu time spent up to now is 52.3 secs Computing kpt #: 10 total cpu time spent up to now is 53.4 secs Computing kpt #: 11 total cpu time spent up to now is 54.6 secs Computing kpt #: 12 total cpu time spent up to now is 55.9 secs Computing kpt #: 13 total cpu time spent up to now is 57.1 secs Computing kpt #: 14 total cpu time spent up to now is 58.2 secs Computing kpt #: 15 total cpu time spent up to now is 59.4 secs Computing kpt #: 16 total cpu time spent up to now is 60.6 secs Computing kpt #: 17 total cpu time spent up to now is 61.7 secs Computing kpt #: 18 total cpu time spent up to now is 62.9 secs Computing kpt #: 19 total cpu time spent up to now is 64.0 secs Computing kpt #: 20 total cpu time spent up to now is 65.2 secs Computing kpt #: 21 total cpu time spent up to now is 66.4 secs Computing kpt #: 22 total cpu time spent up to now is 67.7 secs Computing kpt #: 23 total cpu time spent up to now is 68.9 secs Computing kpt #: 24 total cpu time spent up to now is 70.1 secs Computing kpt #: 25 total cpu time spent up to now is 71.2 secs Computing kpt #: 26 total cpu time spent up to now is 72.4 secs Computing kpt #: 27 total cpu time spent up to now is 73.7 secs Computing kpt #: 28 total cpu time spent up to now is 74.8 secs Computing kpt #: 29 total cpu time spent up to now is 76.0 secs Computing kpt #: 30 total cpu time spent up to now is 77.3 secs Computing kpt #: 31 total cpu time spent up to now is 78.5 secs Computing kpt #: 32 total cpu time spent up to now is 79.7 secs Computing kpt #: 33 total cpu time spent up to now is 81.0 secs Computing kpt #: 34 total cpu time spent up to now is 82.3 secs Computing kpt #: 35 total cpu time spent up to now is 83.5 secs Computing kpt #: 36 total cpu time spent up to now is 84.8 secs Computing kpt #: 37 total cpu time spent up to now is 86.1 secs Computing kpt #: 38 total cpu time spent up to now is 87.4 secs Computing kpt #: 39 total cpu time spent up to now is 88.7 secs Computing kpt #: 40 total cpu time spent up to now is 90.0 secs Computing kpt #: 41 total cpu time spent up to now is 91.3 secs Computing kpt #: 42 total cpu time spent up to now is 92.7 secs Computing kpt #: 43 total cpu time spent up to now is 94.2 secs Computing kpt #: 44 total cpu time spent up to now is 95.5 secs Computing kpt #: 45 total cpu time spent up to now is 96.9 secs Computing kpt #: 46 total cpu time spent up to now is 98.2 secs Computing kpt #: 47 total cpu time spent up to now is 99.4 secs Computing kpt #: 48 total cpu time spent up to now is 100.6 secs Computing kpt #: 49 total cpu time spent up to now is 102.0 secs Computing kpt #: 50 total cpu time spent up to now is 103.2 secs Computing kpt #: 51 total cpu time spent up to now is 104.5 secs Computing kpt #: 52 total cpu time spent up to now is 105.8 secs Computing kpt #: 53 total cpu time spent up to now is 107.2 secs Computing kpt #: 54 total cpu time spent up to now is 108.5 secs Computing kpt #: 55 total cpu time spent up to now is 109.7 secs Computing kpt #: 56 total cpu time spent up to now is 111.0 secs Computing kpt #: 57 total cpu time spent up to now is 112.2 secs Computing kpt #: 58 total cpu time spent up to now is 113.5 secs Computing kpt #: 59 total cpu time spent up to now is 115.0 secs Computing kpt #: 60 total cpu time spent up to now is 116.5 secs Computing kpt #: 61 total cpu time spent up to now is 117.8 secs Computing kpt #: 62 total cpu time spent up to now is 119.1 secs Computing kpt #: 63 total cpu time spent up to now is 120.4 secs Computing kpt #: 64 total cpu time spent up to now is 121.8 secs Computing kpt #: 65 total cpu time spent up to now is 123.2 secs Computing kpt #: 66 total cpu time spent up to now is 124.5 secs Computing kpt #: 67 total cpu time spent up to now is 125.9 secs Computing kpt #: 68 total cpu time spent up to now is 127.2 secs Computing kpt #: 69 total cpu time spent up to now is 128.4 secs Computing kpt #: 70 total cpu time spent up to now is 129.6 secs Computing kpt #: 71 total cpu time spent up to now is 130.8 secs Computing kpt #: 72 total cpu time spent up to now is 132.0 secs Computing kpt #: 73 total cpu time spent up to now is 133.2 secs Computing kpt #: 74 total cpu time spent up to now is 134.4 secs Computing kpt #: 75 total cpu time spent up to now is 135.6 secs Computing kpt #: 76 total cpu time spent up to now is 136.7 secs Computing kpt #: 77 total cpu time spent up to now is 137.9 secs Computing kpt #: 78 total cpu time spent up to now is 139.0 secs Computing kpt #: 79 total cpu time spent up to now is 140.2 secs Computing kpt #: 80 total cpu time spent up to now is 141.3 secs Computing kpt #: 81 total cpu time spent up to now is 142.4 secs Computing kpt #: 82 total cpu time spent up to now is 143.6 secs Computing kpt #: 83 total cpu time spent up to now is 144.7 secs Computing kpt #: 84 total cpu time spent up to now is 145.8 secs Computing kpt #: 85 total cpu time spent up to now is 146.9 secs Computing kpt #: 86 total cpu time spent up to now is 148.1 secs Computing kpt #: 87 total cpu time spent up to now is 149.2 secs Computing kpt #: 88 total cpu time spent up to now is 150.3 secs Computing kpt #: 89 total cpu time spent up to now is 151.5 secs Computing kpt #: 90 total cpu time spent up to now is 152.6 secs Computing kpt #: 91 total cpu time spent up to now is 153.7 secs Computing kpt #: 92 total cpu time spent up to now is 154.9 secs Computing kpt #: 93 total cpu time spent up to now is 156.1 secs Computing kpt #: 94 total cpu time spent up to now is 157.2 secs Computing kpt #: 95 total cpu time spent up to now is 158.4 secs Computing kpt #: 96 total cpu time spent up to now is 159.5 secs Computing kpt #: 97 total cpu time spent up to now is 160.7 secs Computing kpt #: 98 total cpu time spent up to now is 161.8 secs Computing kpt #: 99 total cpu time spent up to now is 163.0 secs Computing kpt #: 100 total cpu time spent up to now is 164.1 secs Computing kpt #: 101 total cpu time spent up to now is 165.2 secs Computing kpt #: 102 total cpu time spent up to now is 166.4 secs Computing kpt #: 103 total cpu time spent up to now is 167.5 secs Computing kpt #: 104 total cpu time spent up to now is 168.7 secs Computing kpt #: 105 total cpu time spent up to now is 169.8 secs Computing kpt #: 106 total cpu time spent up to now is 171.0 secs Computing kpt #: 107 total cpu time spent up to now is 172.1 secs Computing kpt #: 108 total cpu time spent up to now is 173.3 secs Computing kpt #: 109 total cpu time spent up to now is 174.5 secs Computing kpt #: 110 total cpu time spent up to now is 175.7 secs Computing kpt #: 111 total cpu time spent up to now is 176.8 secs Computing kpt #: 112 total cpu time spent up to now is 178.0 secs Computing kpt #: 113 total cpu time spent up to now is 179.1 secs Computing kpt #: 114 total cpu time spent up to now is 180.3 secs Computing kpt #: 115 total cpu time spent up to now is 181.5 secs Computing kpt #: 116 total cpu 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up to now is 200.7 secs Computing kpt #: 132 total cpu time spent up to now is 201.9 secs Computing kpt #: 133 total cpu time spent up to now is 203.0 secs Computing kpt #: 134 total cpu time spent up to now is 204.1 secs Computing kpt #: 135 total cpu time spent up to now is 205.3 secs Computing kpt #: 136 total cpu time spent up to now is 206.5 secs Computing kpt #: 137 total cpu time spent up to now is 207.6 secs Computing kpt #: 138 total cpu time spent up to now is 208.8 secs Computing kpt #: 139 total cpu time spent up to now is 209.9 secs Computing kpt #: 140 total cpu time spent up to now is 211.1 secs Computing kpt #: 141 total cpu time spent up to now is 212.2 secs Computing kpt #: 142 total cpu time spent up to now is 213.3 secs Computing kpt #: 143 total cpu time spent up to now is 214.5 secs Computing kpt #: 144 total cpu time spent up to now is 215.6 secs Computing kpt #: 145 total cpu time spent up to now is 216.8 secs Computing kpt #: 146 total cpu time spent up to now is 218.0 secs Computing kpt #: 147 total cpu time spent up to now is 219.1 secs Computing kpt #: 148 total cpu time spent up to now is 220.2 secs Computing kpt #: 149 total cpu time spent up to now is 221.3 secs Computing kpt #: 150 total cpu time spent up to now is 222.4 secs Computing kpt #: 151 total cpu time spent up to now is 223.5 secs Computing kpt #: 152 total cpu time spent up to now is 224.6 secs Computing kpt #: 153 total cpu time spent up to now is 225.7 secs Computing kpt #: 154 total cpu time spent up to now is 226.8 secs Computing kpt #: 155 total cpu time spent up to now is 228.0 secs Computing kpt #: 156 total cpu time spent up to now is 229.1 secs Computing kpt #: 157 total cpu time spent up to now is 230.2 secs Computing kpt #: 158 total cpu time spent up to now is 231.4 secs Computing kpt #: 159 total cpu time spent up to now is 233.1 secs Computing kpt #: 160 total cpu time spent up to now is 234.8 secs Computing kpt #: 161 total cpu time spent up to now is 236.5 secs Computing kpt #: 162 total cpu time spent up to now is 238.0 secs Computing kpt #: 163 total cpu time spent up to now is 239.1 secs Computing kpt #: 164 total cpu time spent up to now is 240.2 secs Computing kpt #: 165 total cpu time spent up to now is 241.3 secs Computing kpt #: 166 total cpu time spent up to now is 242.4 secs Computing kpt #: 167 total cpu time spent up to now is 243.3 secs Computing kpt #: 168 total cpu time spent up to now is 244.3 secs Computing kpt #: 169 total cpu time spent up to now is 245.3 secs Computing kpt #: 170 total cpu time spent up to now is 246.3 secs Computing kpt #: 171 total cpu time spent up to now is 247.2 secs Computing kpt #: 172 total cpu time spent up to now is 248.1 secs Computing kpt #: 173 total cpu time spent up to now is 249.2 secs Computing kpt #: 174 total cpu time spent up to now is 250.1 secs Computing kpt #: 175 total cpu time spent up to now is 251.2 secs Computing kpt #: 176 total cpu time spent up to now is 252.4 secs Computing kpt #: 177 total cpu time spent up to now is 253.4 secs Computing kpt #: 178 total cpu time spent up to now is 254.5 secs Computing kpt #: 179 total cpu time spent up to now is 255.5 secs Computing kpt #: 180 total cpu time spent up to now is 256.5 secs Computing kpt #: 181 total cpu time spent up to now is 257.5 secs Computing kpt #: 182 total cpu time spent up to now is 258.6 secs Computing kpt #: 183 total cpu time spent up to now is 259.6 secs Computing kpt #: 184 total cpu time spent up to now is 260.6 secs Computing kpt #: 185 total cpu time spent up to now is 261.6 secs Computing kpt #: 186 total cpu time spent up to now is 262.6 secs Computing kpt #: 187 total cpu time spent up to now is 263.6 secs Computing kpt #: 188 total cpu time spent up to now is 264.6 secs Computing kpt #: 189 total cpu time spent up to now is 265.7 secs Computing kpt #: 190 total cpu time spent up to now is 266.8 secs Computing kpt #: 191 total cpu time spent up to now is 267.8 secs Computing kpt #: 192 total cpu time spent up to now is 268.8 secs Computing kpt #: 193 total cpu time spent up to now is 270.0 secs Computing kpt #: 194 total cpu time spent up to now is 271.1 secs Computing kpt #: 195 total cpu time spent up to now is 272.0 secs Computing kpt #: 196 total cpu time spent up to now is 273.0 secs Computing kpt #: 197 total cpu time spent up to now is 274.1 secs Computing kpt #: 198 total cpu time spent up to now is 275.1 secs Computing kpt #: 199 total cpu time spent up to now is 276.1 secs Computing kpt #: 200 total cpu time spent up to now is 277.1 secs Computing kpt #: 201 total cpu time spent up to now is 278.1 secs Computing kpt #: 202 total cpu time spent up to now is 279.1 secs Computing kpt #: 203 total cpu time spent up to now is 280.1 secs Computing kpt #: 204 total cpu time spent up to now is 281.1 secs Computing kpt #: 205 total cpu time spent up to now is 282.1 secs Computing kpt #: 206 total cpu time spent up to now is 283.3 secs Computing kpt #: 207 total cpu time spent up to now is 284.2 secs Computing kpt #: 208 total cpu time spent up to now is 285.3 secs Computing kpt #: 209 total cpu time spent up to now is 286.3 secs Computing kpt #: 210 total cpu time spent up to now is 287.4 secs Computing kpt #: 211 total cpu time spent up to now is 288.5 secs Computing kpt #: 212 total cpu time spent up to now is 289.6 secs Computing kpt #: 213 total cpu time spent up to now is 290.6 secs Computing kpt #: 214 total cpu time spent up to now is 291.7 secs Computing kpt #: 215 total cpu time spent up to now is 292.8 secs Computing kpt #: 216 total cpu time spent up to now is 293.9 secs Computing kpt #: 217 total cpu time spent up to now is 295.1 secs Computing kpt #: 218 total cpu time spent up to now is 296.2 secs Computing kpt #: 219 total cpu time spent up to now is 297.3 secs Computing kpt #: 220 total cpu time spent up to now is 298.4 secs Computing kpt #: 221 total cpu time spent up to now is 299.6 secs Computing kpt #: 222 total cpu time spent up to now is 300.8 secs Computing kpt #: 223 total cpu time spent up to now is 301.9 secs Computing kpt #: 224 total cpu time spent up to now is 303.0 secs Computing kpt #: 225 total cpu time spent up to now is 304.1 secs Computing kpt #: 226 total cpu time spent up to now is 305.3 secs Computing kpt #: 227 total cpu time spent up to now is 306.4 secs Computing kpt #: 228 total cpu time spent up to now is 307.6 secs Computing kpt #: 229 total cpu time spent up to now is 308.8 secs Computing kpt #: 230 total cpu time spent up to now is 309.9 secs Computing kpt #: 231 total cpu time spent up to now is 311.1 secs Computing kpt #: 232 total cpu time spent up to now is 312.2 secs Computing kpt #: 233 total cpu time spent up to now is 313.5 secs Computing kpt #: 234 total cpu time spent up to now is 314.6 secs Computing kpt #: 235 total cpu time spent up to now is 315.8 secs Computing kpt #: 236 total cpu time spent up to now is 316.9 secs Computing kpt #: 237 total cpu time spent up to now is 318.1 secs Computing kpt #: 238 total cpu time spent up to now is 319.3 secs Computing kpt #: 239 total cpu time spent up to now is 320.5 secs Computing kpt #: 240 total cpu time spent up to now is 321.6 secs Computing kpt #: 241 total cpu time spent up to now is 322.8 secs Computing kpt #: 242 total cpu time spent up to now is 324.0 secs Computing kpt #: 243 total cpu time spent up to now is 325.2 secs Computing kpt #: 244 total cpu time spent up to now is 326.4 secs Computing kpt #: 245 total cpu time spent up to now is 327.5 secs Computing kpt #: 246 total cpu time spent up to now is 328.7 secs Computing kpt #: 247 total cpu time spent up to now is 329.8 secs Computing kpt #: 248 total cpu time spent up to now is 331.0 secs Computing kpt #: 249 total cpu time spent up to now is 332.2 secs Computing kpt #: 250 total cpu time spent up to now is 333.4 secs Computing kpt #: 251 total cpu time spent up to now is 334.5 secs Computing kpt #: 252 total cpu time spent up to now is 335.6 secs Computing kpt #: 253 total cpu time spent up to now is 337.0 secs Computing kpt #: 254 total cpu time spent up to now is 338.1 secs Computing kpt #: 255 total cpu time spent up to now is 339.3 secs Computing kpt #: 256 total cpu time spent up to now is 340.4 secs Computing kpt #: 257 total cpu time spent up to now is 341.6 secs Computing kpt #: 258 total cpu time spent up to now is 342.8 secs Computing kpt #: 259 total cpu time spent up to now is 344.0 secs Computing kpt #: 260 total cpu time spent up to now is 345.1 secs Computing kpt #: 261 total cpu time spent up to now is 346.3 secs Computing kpt #: 262 total cpu time spent up to now is 347.5 secs Computing kpt #: 263 total cpu time spent up to now is 348.8 secs Computing kpt #: 264 total cpu time spent up to now is 350.0 secs Computing kpt #: 265 total cpu time spent up to now is 351.2 secs Computing kpt #: 266 total cpu time spent up to now is 352.3 secs Computing kpt #: 267 total cpu time spent up to now is 353.5 secs Computing kpt #: 268 total cpu time spent up to now is 354.8 secs Computing kpt #: 269 total cpu time spent up to now is 356.0 secs Computing kpt #: 270 total cpu time spent up to now is 357.2 secs Computing kpt #: 271 total cpu time spent up to now is 358.4 secs Computing kpt #: 272 total cpu time spent up to now is 359.5 secs Computing kpt #: 273 total cpu time spent up to now is 360.8 secs Computing kpt #: 274 total cpu time spent up to now is 361.9 secs Computing kpt #: 275 total cpu time spent up to now is 363.1 secs Computing kpt #: 276 total cpu time spent up to now is 364.2 secs Computing kpt #: 277 total cpu time spent up to now is 365.3 secs Computing kpt #: 278 total cpu time spent up to now is 366.5 secs Computing kpt #: 279 total cpu time spent up to now is 367.6 secs Computing kpt #: 280 total cpu time spent up to now is 368.7 secs Computing kpt #: 281 total cpu time spent up to now is 369.8 secs Computing kpt #: 282 total cpu time spent up to now is 370.9 secs Computing kpt #: 283 total cpu time spent up to now is 372.0 secs Computing kpt #: 284 total cpu time spent up to now is 373.1 secs Computing kpt #: 285 total cpu time spent up to now is 374.1 secs Computing kpt #: 286 total cpu time spent up to now is 375.2 secs Computing kpt #: 287 total cpu time spent up to now is 376.3 secs Computing kpt #: 288 total cpu time spent up to now is 377.4 secs Computing kpt #: 289 total cpu time spent up to now is 378.6 secs Computing kpt #: 290 total cpu time spent up to now is 379.7 secs Computing kpt #: 291 total cpu time spent up to now is 380.8 secs Computing kpt #: 292 total cpu time spent up to now is 381.9 secs Computing kpt #: 293 total cpu time spent up to now is 383.0 secs Computing kpt #: 294 total cpu time spent up to now is 384.1 secs Computing kpt #: 295 total cpu time spent up to now is 385.3 secs Computing kpt #: 296 total cpu time spent up to now is 386.4 secs Computing kpt #: 297 total cpu time spent up to now is 387.5 secs Computing kpt #: 298 total cpu time spent up to now is 388.6 secs Computing kpt #: 299 total cpu time spent up to now is 389.7 secs Computing kpt #: 300 total cpu time spent up to now is 390.9 secs Computing kpt #: 301 total cpu time spent up to now is 392.1 secs Computing kpt #: 302 total cpu time spent up to now is 393.2 secs Computing kpt #: 303 total cpu time spent up to now is 394.3 secs Computing kpt #: 304 total cpu time spent up to now is 395.5 secs Computing kpt #: 305 total cpu time spent up to now is 396.6 secs Computing kpt #: 306 total cpu time spent up to now is 397.9 secs Computing kpt #: 307 total cpu time spent up to now is 399.0 secs Computing kpt #: 308 total cpu time spent up to now is 400.2 secs Computing kpt #: 309 total cpu time spent up to now is 401.4 secs Computing kpt #: 310 total cpu time spent up to now is 402.6 secs Computing kpt #: 311 total cpu time spent up to now is 403.9 secs Computing kpt #: 312 total cpu time spent up to now is 405.0 secs Computing kpt #: 313 total cpu time spent up to now is 406.2 secs Computing kpt #: 314 total cpu time spent up to now is 407.5 secs Computing kpt #: 315 total cpu time spent up to now is 408.8 secs Computing kpt #: 316 total cpu time spent up to now is 410.0 secs Computing kpt #: 317 total cpu time spent up to now is 411.2 secs Computing kpt #: 318 total cpu time spent up to now is 412.3 secs Computing kpt #: 319 total cpu time spent up to now is 413.5 secs Computing kpt #: 320 total cpu time spent up to now is 414.7 secs Computing kpt #: 321 total cpu time spent up to now is 415.9 secs Computing kpt #: 322 total cpu time spent up to now is 417.1 secs Computing kpt #: 323 total cpu time spent up to now is 418.2 secs Computing kpt #: 324 total cpu time spent up to now is 419.4 secs Computing kpt #: 325 total cpu time spent up to now is 420.5 secs Computing kpt #: 326 total cpu time spent up to now is 421.7 secs Computing kpt #: 327 total cpu time spent up to now is 422.8 secs Computing kpt #: 328 total cpu time spent up to now is 423.9 secs Computing kpt #: 329 total cpu time spent up to now is 425.0 secs Computing kpt #: 330 total cpu time spent up to now is 426.1 secs Computing kpt #: 331 total cpu time spent up to now is 427.2 secs Computing kpt #: 332 total cpu time spent up to now is 428.3 secs Computing kpt #: 333 total cpu time spent up to now is 429.4 secs Computing kpt #: 334 total cpu time spent up to now is 430.5 secs Computing kpt #: 335 total cpu time spent up to now is 431.6 secs Computing kpt #: 336 total cpu time spent up to now is 432.7 secs Computing kpt #: 337 total cpu time spent up to now is 433.7 secs Computing kpt #: 338 total cpu time spent up to now is 434.7 secs Computing kpt #: 339 total cpu time spent up to now is 435.8 secs Computing kpt #: 340 total cpu time spent up to now is 436.8 secs Computing kpt #: 341 total cpu time spent up to now is 437.9 secs Computing kpt #: 342 total cpu time spent up to now is 439.0 secs Computing kpt #: 343 total cpu time spent up to now is 440.0 secs Computing kpt #: 344 total cpu time spent up to now is 441.1 secs Computing kpt #: 345 total cpu time spent up to now is 442.1 secs Computing kpt #: 346 total cpu time spent up to now is 443.1 secs Computing kpt #: 347 total cpu time spent up to now is 444.2 secs Computing kpt #: 348 total cpu time spent up to now is 445.2 secs Computing kpt #: 349 total cpu time spent up to now is 446.2 secs Computing kpt #: 350 total cpu time spent up to now is 447.2 secs Computing kpt #: 351 total cpu time spent up to now is 448.2 secs Computing kpt #: 352 total cpu time spent up to now is 449.2 secs Computing kpt #: 353 total cpu time spent up to now is 450.3 secs Computing kpt #: 354 total cpu time spent up to now is 451.6 secs Computing kpt #: 355 total cpu time spent up to now is 452.8 secs Computing kpt #: 356 total cpu time spent up to now is 454.0 secs Computing kpt #: 357 total cpu time spent up to now is 455.3 secs Computing kpt #: 358 total cpu time spent up to now is 456.6 secs Computing kpt #: 359 total cpu time spent up to now is 457.8 secs Computing kpt #: 360 total cpu time spent up to now is 459.1 secs Computing kpt #: 361 total cpu time spent up to now is 460.3 secs Computing kpt #: 362 total cpu time spent up to now is 461.4 secs Computing kpt #: 363 total cpu time spent up to now is 462.7 secs Computing kpt #: 364 total cpu time spent up to now is 463.8 secs Computing kpt #: 365 total cpu time spent up to now is 465.0 secs Computing kpt #: 366 total cpu time spent up to now is 466.1 secs Computing kpt #: 367 total cpu time spent up to now is 467.3 secs Computing kpt #: 368 total cpu time spent up to now is 468.4 secs Computing kpt #: 369 total cpu time spent up to now is 469.6 secs Computing kpt #: 370 total cpu time spent up to now is 470.7 secs Computing kpt #: 371 total cpu time spent up to now is 471.9 secs Computing kpt #: 372 total cpu time spent up to now is 473.0 secs Computing kpt #: 373 total cpu time spent up to now is 474.1 secs Computing kpt #: 374 total cpu time spent up to now is 475.2 secs Computing kpt #: 375 total cpu time spent up to now is 476.3 secs Computing kpt #: 376 total cpu time spent up to now is 477.4 secs Computing kpt #: 377 total cpu time spent up to now is 478.5 secs Computing kpt #: 378 total cpu time spent up to now is 479.6 secs ethr = 3.13E-11, avg # of iterations = 35.0 total cpu time spent up to now is 479.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2365 PWs) bands (ev): -18.6534 -18.6534 -15.2644 -15.2644 -15.2585 -15.2585 -15.0811 -15.0811 -8.3292 -8.3292 -4.4550 -4.4550 -4.4486 -4.4486 -3.9010 -3.9010 -0.5937 -0.5937 0.2854 0.2854 1.3142 1.3142 1.3263 1.3263 1.3387 1.3387 1.4237 1.4237 2.5483 2.5483 2.5582 2.5582 10.3268 10.3268 11.5152 11.5152 13.5800 13.5800 13.6075 13.6075 k = 0.0000 0.0000 0.0144 ( 2361 PWs) bands (ev): -18.6529 -18.6529 -15.2651 -15.2650 -15.2591 -15.2591 -15.0813 -15.0811 -8.3279 -8.3279 -4.4556 -4.4551 -4.4487 -4.4486 -3.9001 -3.8995 -0.5945 -0.5941 0.2859 0.2860 1.3047 1.3053 1.3257 1.3267 1.3459 1.3472 1.4228 1.4229 2.5482 2.5484 2.5580 2.5584 10.3294 10.3294 11.5161 11.5168 13.5788 13.5792 13.6064 13.6066 k = 0.0000 0.0000 0.0287 ( 2361 PWs) bands (ev): -18.6513 -18.6513 -15.2676 -15.2673 -15.2604 -15.2603 -15.0817 -15.0814 -8.3239 -8.3239 -4.4581 -4.4571 -4.4477 -4.4472 -3.8971 -3.8959 -0.5963 -0.5956 0.2874 0.2875 1.2877 1.2890 1.3246 1.3251 1.3595 1.3610 1.4202 1.4206 2.5481 2.5485 2.5579 2.5586 10.3372 10.3372 11.5197 11.5211 13.5753 13.5761 13.6035 13.6040 k = 0.0000 0.0000 0.0431 ( 2357 PWs) bands (ev): -18.6486 -18.6486 -15.2725 -15.2720 -15.2617 -15.2615 -15.0824 -15.0819 -8.3173 -8.3173 -4.4634 -4.4620 -4.4443 -4.4436 -3.8918 -3.8901 -0.5992 -0.5983 0.2899 0.2901 1.2684 1.2703 1.3222 1.3226 1.3728 1.3755 1.4159 1.4177 2.5478 2.5484 2.5579 2.5590 10.3501 10.3501 11.5259 11.5280 13.5690 13.5700 13.5997 13.6006 k = 0.0000 0.0000 0.0575 ( 2353 PWs) bands (ev): -18.6448 -18.6448 -15.2799 -15.2793 -15.2628 -15.2626 -15.0833 -15.0827 -8.3080 -8.3080 -4.4711 -4.4693 -4.4390 -4.4381 -3.8845 -3.8822 -0.6033 -0.6020 0.2934 0.2938 1.2472 1.2497 1.3187 1.3194 1.3826 1.3896 1.4103 1.4166 2.5472 2.5481 2.5582 2.5596 10.3681 10.3681 11.5347 11.5375 13.5592 13.5603 13.5958 13.5972 k = 0.0000 0.0000 0.0718 ( 2345 PWs) bands (ev): -18.6399 -18.6399 -15.2895 -15.2888 -15.2640 -15.2638 -15.0844 -15.0838 -8.2962 -8.2961 -4.4810 -4.4789 -4.4319 -4.4308 -3.8753 -3.8725 -0.6085 -0.6068 0.2980 0.2984 1.2241 1.2272 1.3143 1.3154 1.3839 1.3961 1.4109 1.4222 2.5463 2.5475 2.5588 2.5606 10.3911 10.3911 11.5459 11.5495 13.5456 13.5467 13.5924 13.5944 k = 0.0000 0.0000 0.0862 ( 2341 PWs) bands (ev): -18.6340 -18.6339 -15.3013 -15.3005 -15.2653 -15.2651 -15.0859 -15.0851 -8.2817 -8.2817 -4.4927 -4.4903 -4.4233 -4.4219 -3.8642 -3.8610 -0.6147 -0.6127 0.3036 0.3042 1.1992 1.2027 1.3088 1.3108 1.3771 1.3879 1.4247 1.4344 2.5449 2.5465 2.5599 2.5620 10.4190 10.4190 11.5595 11.5638 13.5285 13.5297 13.5894 13.5920 k = 0.0000 0.0000 0.1005 ( 2345 PWs) bands (ev): -18.6270 -18.6269 -15.3151 -15.3143 -15.2668 -15.2665 -15.0876 -15.0867 -8.2648 -8.2647 -4.5062 -4.5035 -4.4130 -4.4115 -3.8516 -3.8479 -0.6220 -0.6198 0.3103 0.3109 1.1723 1.1761 1.3021 1.3054 1.3659 1.3760 1.4409 1.4497 2.5432 2.5451 2.5614 2.5639 10.4517 10.4518 11.5755 11.5805 13.5083 13.5095 13.5868 13.5900 k = 0.0000 0.0000 0.1149 ( 2345 PWs) bands (ev): -18.6189 -18.6189 -15.3309 -15.3301 -15.2685 -15.2681 -15.0895 -15.0886 -8.2453 -8.2453 -4.5212 -4.5183 -4.4012 -4.3994 -3.8375 -3.8334 -0.6304 -0.6278 0.3180 0.3187 1.1434 1.1475 1.2941 1.2994 1.3518 1.3623 1.4581 1.4665 2.5412 2.5434 2.5633 2.5661 10.4890 10.4891 11.5935 11.5993 13.4854 13.4867 13.5847 13.5886 k = 0.0000 0.0000 0.1293 ( 2355 PWs) bands (ev): -18.6098 -18.6098 -15.3487 -15.3478 -15.2704 -15.2699 -15.0918 -15.0908 -8.2234 -8.2234 -4.5377 -4.5346 -4.3878 -4.3858 -3.8221 -3.8176 -0.6399 -0.6370 0.3268 0.3276 1.1125 1.1168 1.2844 1.2926 1.3355 1.3475 1.4761 1.4843 2.5388 2.5413 2.5655 2.5686 10.5308 10.5310 11.6137 11.6202 13.4603 13.4616 13.5831 13.5877 k = 0.0000 0.0000 0.1436 ( 2355 PWs) bands (ev): -18.5996 -18.5996 -15.3683 -15.3674 -15.2724 -15.2719 -15.0943 -15.0933 -8.1991 -8.1991 -4.5555 -4.5522 -4.3730 -4.3708 -3.8055 -3.8007 -0.6503 -0.6471 0.3366 0.3375 1.0797 1.0841 1.2724 1.2846 1.3177 1.3324 1.4950 1.5032 2.5362 2.5390 2.5681 2.5714 10.5770 10.5771 11.6357 11.6429 13.4332 13.4346 13.5822 13.5875 k = 0.0000 0.0000 0.1580 ( 2357 PWs) bands (ev): -18.5884 -18.5884 -15.3897 -15.3888 -15.2746 -15.2741 -15.0971 -15.0961 -8.1725 -8.1724 -4.5745 -4.5711 -4.3567 -4.3542 -3.7879 -3.7828 -0.6617 -0.6582 0.3474 0.3485 1.0450 1.0494 1.2575 1.2741 1.2996 1.3177 1.5147 1.5229 2.5334 2.5365 2.5709 2.5745 10.6273 10.6274 11.6594 11.6674 13.4045 13.4059 13.5822 13.5881 k = 0.0000 0.0000 0.1724 ( 2357 PWs) bands (ev): -18.5762 -18.5762 -15.4129 -15.4120 -15.2769 -15.2764 -15.1001 -15.0991 -8.1436 -8.1435 -4.5946 -4.5911 -4.3389 -4.3363 -3.7693 -3.7640 -0.6740 -0.6702 0.3593 0.3604 1.0085 1.0128 1.2392 1.2581 1.2843 1.3041 1.5352 1.5435 2.5303 2.5337 2.5739 2.5779 10.6815 10.6816 11.6846 11.6934 13.3745 13.3759 13.5832 13.5898 k = 0.0000 0.0000 0.1867 ( 2357 PWs) bands (ev): -18.5630 -18.5629 -15.4377 -15.4368 -15.2794 -15.2789 -15.1034 -15.1023 -8.1126 -8.1124 -4.6157 -4.6122 -4.3198 -4.3169 -3.7500 -3.7444 -0.6872 -0.6830 0.3721 0.3733 0.9703 0.9744 1.2174 1.2358 1.2729 1.2919 1.5566 1.5650 2.5271 2.5308 2.5771 2.5814 10.7394 10.7396 11.7112 11.7208 13.3435 13.3449 13.5855 13.5928 k = 0.0000 0.0000 0.2011 ( 2359 PWs) bands (ev): -18.5487 -18.5487 -15.4641 -15.4632 -15.2821 -15.2815 -15.1069 -15.1058 -8.0794 -8.0792 -4.6379 -4.6343 -4.2993 -4.2963 -3.7301 -3.7242 -0.7012 -0.6966 0.3858 0.3871 0.9305 0.9344 1.1924 1.2092 1.2635 1.2806 1.5788 1.5873 2.5237 2.5277 2.5805 2.5851 10.8008 10.8010 11.7390 11.7493 13.3117 13.3131 13.5892 13.5972 k = 0.0000 0.0000 0.2155 ( 2359 PWs) bands (ev): -18.5335 -18.5335 -15.4920 -15.4911 -15.2849 -15.2842 -15.1107 -15.1096 -8.0441 -8.0440 -4.6609 -4.6573 -4.2775 -4.2743 -3.7095 -3.7034 -0.7158 -0.7110 0.4003 0.4017 0.8893 0.8929 1.1647 1.1800 1.2545 1.2700 1.6017 1.6103 2.5201 2.5244 2.5840 2.5889 10.8654 10.8657 11.7677 11.7788 13.2793 13.2808 13.5945 13.6033 k = 0.0000 0.0000 0.2298 ( 2363 PWs) bands (ev): -18.5173 -18.5173 -15.5213 -15.5205 -15.2878 -15.2871 -15.1146 -15.1135 -8.0068 -8.0067 -4.6849 -4.6813 -4.2545 -4.2510 -3.6885 -3.6821 -0.7311 -0.7259 0.4156 0.4171 0.8468 0.8500 1.1347 1.1487 1.2458 1.2599 1.6253 1.6341 2.5163 2.5209 2.5877 2.5928 10.9330 10.9334 11.7971 11.8090 13.2468 13.2482 13.6017 13.6112 k = 0.0000 0.0000 0.2442 ( 2371 PWs) bands (ev): -18.5002 -18.5001 -15.5520 -15.5512 -15.2908 -15.2900 -15.1188 -15.1177 -7.9677 -7.9676 -4.7097 -4.7061 -4.2303 -4.2266 -3.6670 -3.6605 -0.7468 -0.7414 0.4315 0.4331 0.8031 0.8059 1.1026 1.1155 1.2371 1.2501 1.6496 1.6586 2.5123 2.5172 2.5913 2.5967 11.0034 11.0039 11.8272 11.8398 13.2142 13.2157 13.6108 13.6211 k = 0.0000 0.0000 0.2586 ( 2375 PWs) bands (ev): -18.4821 -18.4820 -15.5840 -15.5832 -15.2939 -15.2931 -15.1231 -15.1220 -7.9267 -7.9266 -4.7353 -4.7317 -4.2050 -4.2011 -3.6453 -3.6386 -0.7630 -0.7573 0.4479 0.4496 0.7585 0.7609 1.0689 1.0808 1.2284 1.2405 1.6744 1.6836 2.5081 2.5133 2.5951 2.6007 11.0762 11.0768 11.8576 11.8710 13.1818 13.1833 13.6220 13.6332 k = 0.0000 0.0000 0.2729 ( 2375 PWs) bands (ev): -18.4631 -18.4630 -15.6172 -15.6165 -15.2970 -15.2962 -15.1276 -15.1265 -7.8840 -7.8839 -4.7618 -4.7582 -4.1786 -4.1745 -3.6234 -3.6165 -0.7795 -0.7735 0.4646 0.4664 0.7130 0.7149 1.0336 1.0446 1.2199 1.2312 1.6998 1.7092 2.5038 2.5093 2.5988 2.6047 11.1513 11.1519 11.8883 11.9024 13.1498 13.1513 13.6355 13.6474 k = 0.0000 0.0000 0.2873 ( 2383 PWs) bands (ev): -18.4432 -18.4432 -15.6516 -15.6508 -15.3003 -15.2994 -15.1322 -15.1311 -7.8397 -7.8395 -4.7891 -4.7855 -4.1512 -4.1469 -3.6014 -3.5943 -0.7962 -0.7899 0.4815 0.4833 0.6669 0.6683 0.9969 1.0072 1.2116 1.2223 1.7255 1.7351 2.4992 2.5050 2.6025 2.6087 11.2282 11.2290 11.9191 11.9339 13.1184 13.1199 13.6513 13.6639 k = 0.0000 0.0000 0.3016 ( 2389 PWs) bands (ev): -18.4225 -18.4224 -15.6869 -15.6862 -15.3036 -15.3027 -15.1370 -15.1359 -7.7937 -7.7935 -4.8171 -4.8136 -4.1229 -4.1183 -3.5794 -3.5720 -0.8129 -0.8063 0.4983 0.5001 0.6204 0.6213 0.9590 0.9686 1.2037 1.2139 1.7516 1.7615 2.4944 2.5005 2.6061 2.6126 11.3067 11.3076 11.9499 11.9653 13.0878 13.0893 13.6693 13.6826 k = 0.0000 0.0000 0.3160 ( 2393 PWs) bands (ev): -18.4009 -18.4008 -15.7232 -15.7226 -15.3069 -15.3060 -15.1419 -15.1407 -7.7463 -7.7461 -4.8460 -4.8425 -4.0937 -4.0889 -3.5574 -3.5499 -0.8295 -0.8226 0.5145 0.5163 0.5737 0.5742 0.9201 0.9292 1.1964 1.2061 1.7779 1.7881 2.4894 2.4957 2.6097 2.6163 11.3865 11.3875 11.9806 11.9966 13.0582 13.0598 13.6896 13.7036 k = 0.0000 0.0000 0.3304 ( 2393 PWs) bands (ev): -18.3785 -18.3784 -15.7604 -15.7598 -15.3103 -15.3094 -15.1468 -15.1457 -7.6974 -7.6973 -4.8756 -4.8722 -4.0638 -4.0588 -3.5356 -3.5279 -0.8459 -0.8388 0.5203 0.5228 0.5348 0.5379 0.8804 0.8891 1.1900 1.1992 1.8044 1.8148 2.4841 2.4908 2.6131 2.6200 11.4671 11.4684 12.0112 12.0277 13.0297 13.0313 13.7120 13.7267 k = 0.0000 0.0000 0.3447 ( 2389 PWs) bands (ev): -18.3553 -18.3552 -15.7984 -15.7977 -15.3136 -15.3127 -15.1518 -15.1507 -7.6472 -7.6471 -4.9060 -4.9027 -4.0331 -4.0279 -3.5140 -3.5061 -0.8619 -0.8546 0.4766 0.4785 0.5466 0.5491 0.8401 0.8485 1.1845 1.1933 1.8309 1.8415 2.4787 2.4857 2.6164 2.6235 11.5484 11.5498 12.0417 12.0586 13.0025 13.0042 13.7364 13.7517 k = 0.0000 0.0000 0.3591 ( 2393 PWs) bands (ev): -18.3314 -18.3313 -15.8370 -15.8364 -15.3170 -15.3161 -15.1569 -15.1557 -7.5958 -7.5957 -4.9373 -4.9340 -4.0019 -3.9965 -3.4928 -3.4848 -0.8775 -0.8698 0.4292 0.4316 0.5600 0.5625 0.7994 0.8077 1.1805 1.1889 1.8572 1.8682 2.4730 2.4803 2.6195 2.6267 11.6297 11.6314 12.0720 12.0894 12.9768 12.9786 13.7625 13.7783 k = 0.0000 0.0000 0.3735 ( 2389 PWs) bands (ev): -18.3068 -18.3067 -15.8762 -15.8757 -15.3204 -15.3194 -15.1620 -15.1608 -7.5433 -7.5431 -4.9693 -4.9661 -3.9702 -3.9645 -3.4720 -3.4638 -0.8924 -0.8845 0.3816 0.3848 0.5717 0.5744 0.7585 0.7670 1.1782 1.1861 1.8833 1.8946 2.4672 2.4748 2.6224 2.6298 11.7108 11.7127 12.1024 12.1200 12.9527 12.9546 13.7902 13.8064 k = 0.0000 0.0000 0.3878 ( 2385 PWs) bands (ev): -18.2815 -18.2814 -15.9159 -15.9154 -15.3237 -15.3227 -15.1670 -15.1659 -7.4896 -7.4894 -5.0022 -4.9991 -3.9380 -3.9322 -3.4517 -3.4434 -0.9065 -0.8983 0.3343 0.3382 0.5809 0.5840 0.7180 0.7268 1.1778 1.1854 1.9090 1.9206 2.4612 2.4691 2.6250 2.6326 11.7910 11.7933 12.1329 12.1507 12.9304 12.9324 13.8189 13.8356 k = 0.0000 0.0000 0.4022 ( 2377 PWs) bands (ev): -18.2556 -18.2555 -15.9561 -15.9556 -15.3270 -15.3260 -15.1721 -15.1710 -7.4350 -7.4348 -5.0359 -5.0329 -3.9056 -3.8995 -3.4321 -3.4236 -0.9197 -0.9113 0.2872 0.2920 0.5864 0.5905 0.6785 0.6882 1.1797 1.1869 1.9341 1.9461 2.4551 2.4633 2.6274 2.6351 11.8699 11.8726 12.1638 12.1816 12.9099 12.9121 13.8483 13.8654 k = 0.0000 0.0000 0.4166 ( 2377 PWs) bands (ev): -18.2292 -18.2291 -15.9965 -15.9960 -15.3302 -15.3292 -15.1772 -15.1760 -7.3794 -7.3792 -5.0705 -5.0675 -3.8729 -3.8667 -3.4131 -3.4046 -0.9318 -0.9231 0.2405 0.2462 0.5858 0.5915 0.6426 0.6535 1.1842 1.1910 1.9586 1.9709 2.4490 2.4575 2.6295 2.6373 11.9468 11.9498 12.1954 12.2131 12.8914 12.8937 13.8781 13.8954 k = 0.0000 0.0000 0.4309 ( 2381 PWs) bands (ev): -18.2022 -18.2021 -16.0371 -16.0367 -15.3334 -15.3324 -15.1822 -15.1810 -7.3230 -7.3229 -5.1059 -5.1031 -3.8402 -3.8338 -3.3950 -3.3863 -0.9426 -0.9337 0.1941 0.2007 0.5724 0.5784 0.6192 0.6289 1.1914 1.1978 1.9820 1.9947 2.4430 2.4518 2.6313 2.6392 12.0206 12.0241 12.2283 12.2456 12.8750 12.8775 13.9076 13.9252 k = 0.0000 0.0000 0.4453 ( 2377 PWs) bands (ev): -18.1748 -18.1747 -16.0778 -16.0774 -15.3365 -15.3355 -15.1871 -15.1860 -7.2659 -7.2657 -5.1422 -5.1395 -3.8075 -3.8008 -3.3778 -3.3690 -0.9521 -0.9430 0.1481 0.1556 0.5436 0.5491 0.6110 0.6168 1.2014 1.2073 2.0044 2.0174 2.4372 2.4464 2.6327 2.6407 12.0903 12.0944 12.2635 12.2798 12.8608 12.8635 13.9365 13.9542 k = 0.0000 0.0000 0.4597 ( 2373 PWs) bands (ev): -18.1470 -18.1469 -16.1185 -16.1181 -15.3395 -15.3385 -15.1919 -15.1908 -7.2082 -7.2080 -5.1795 -5.1768 -3.7749 -3.7681 -3.3616 -3.3527 -0.9601 -0.9508 0.1025 0.1109 0.5088 0.5153 0.6056 0.6092 1.2141 1.2196 2.0254 2.0387 2.4318 2.4413 2.6337 2.6418 12.1543 12.1591 12.3021 12.3168 12.8489 12.8519 13.9643 13.9820 k = 0.0000 0.0000 0.4740 ( 2381 PWs) bands (ev): -18.1190 -18.1189 -16.1591 -16.1587 -15.3424 -15.3414 -15.1966 -15.1955 -7.1498 -7.1496 -5.2176 -5.2151 -3.7426 -3.7356 -3.3464 -3.3374 -0.9665 -0.9569 0.0572 0.0664 0.4736 0.4811 0.5988 0.6013 1.2294 1.2345 2.0446 2.0582 2.4271 2.4367 2.6344 2.6425 12.2107 12.2169 12.3454 12.3576 12.8394 12.8426 13.9903 14.0080 k = 0.0000 0.0000 0.4884 ( 2375 PWs) bands (ev): -18.0907 -18.0906 -16.1994 -16.1990 -15.3452 -15.3442 -15.2012 -15.2001 -7.0910 -7.0908 -5.2567 -5.2543 -3.7106 -3.7034 -3.3324 -3.3233 -0.9711 -0.9613 0.0121 0.0222 0.4396 0.4479 0.5899 0.5918 1.2470 1.2518 2.0619 2.0757 2.4233 2.4331 2.6346 2.6427 12.2589 12.2669 12.3936 12.4026 12.8324 12.8359 14.0142 14.0318 k = 0.0000 0.0000 0.5027 ( 2375 PWs) bands (ev): -18.0624 -18.0623 -16.2393 -16.2389 -15.3478 -15.3469 -15.2056 -15.2046 -7.0317 -7.0315 -5.2967 -5.2944 -3.6791 -3.6717 -3.3196 -3.3104 -0.9738 -0.9638 -0.0328 -0.0219 0.4075 0.4165 0.5788 0.5804 1.2668 1.2712 2.0770 2.0907 2.4207 2.4305 2.6344 2.6425 12.3001 12.3098 12.4450 12.4510 12.8279 12.8317 14.0353 14.0528 k = 0.0000 0.0000 0.5171 ( 2371 PWs) bands (ev): -18.0340 -18.0339 -16.2786 -16.2782 -15.3504 -15.3495 -15.2099 -15.2089 -6.9721 -6.9719 -5.3377 -5.3355 -3.6482 -3.6407 -3.3080 -3.2987 -0.9745 -0.9643 -0.0776 -0.0660 0.3778 0.3872 0.5656 0.5672 1.2883 1.2924 2.0894 2.1030 2.4196 2.4293 2.6337 2.6418 12.3363 12.3473 12.4971 12.5006 12.8260 12.8300 14.0533 14.0705 k = 0.0000 0.0000 0.5315 ( 2379 PWs) bands (ev): -18.0058 -18.0058 -16.3172 -16.3169 -15.3528 -15.3519 -15.2139 -15.2130 -6.9123 -6.9121 -5.3797 -5.3776 -3.6180 -3.6103 -3.2978 -3.2885 -0.9731 -0.9627 -0.1222 -0.1100 0.3505 0.3605 0.5507 0.5525 1.3113 1.3150 2.0990 2.1123 2.4204 2.4298 2.6324 2.6405 12.3693 12.3810 12.5476 12.5493 12.8267 12.8310 14.0675 14.0844 k = 0.0000 0.0000 0.5458 ( 2379 PWs) bands (ev): -17.9780 -17.9779 -16.3549 -16.3546 -15.3551 -15.3543 -15.2178 -15.2169 -6.8523 -6.8521 -5.4227 -5.4206 -3.5886 -3.5807 -3.2889 -3.2796 -0.9695 -0.9589 -0.1668 -0.1541 0.3262 0.3364 0.5343 0.5363 1.3353 1.3388 2.1056 2.1183 2.4231 2.4320 2.6307 2.6387 12.4002 12.4121 12.5952 12.5955 12.8300 12.8345 14.0777 14.0942 k = 0.0000 0.0000 0.5602 ( 2371 PWs) bands (ev): -17.9505 -17.9504 -16.3915 -16.3913 -15.3572 -15.3564 -15.2214 -15.2206 -6.7922 -6.7920 -5.4666 -5.4647 -3.5601 -3.5521 -3.2815 -3.2721 -0.9637 -0.9529 -0.2113 -0.1982 0.3048 0.3152 0.5168 0.5191 1.3600 1.3632 2.1091 2.1210 2.4279 2.4361 2.6285 2.6364 12.4294 12.4412 12.6381 12.6391 12.8357 12.8405 14.0833 14.0993 k = 0.0000 0.0000 0.5746 ( 2369 PWs) bands (ev): -17.9238 -17.9237 -16.4268 -16.4266 -15.3592 -15.3584 -15.2249 -15.2241 -6.7321 -6.7319 -5.5114 -5.5096 -3.5326 -3.5244 -3.2755 -3.2661 -0.9556 -0.9446 -0.2557 -0.2423 0.2865 0.2970 0.4983 0.5010 1.3851 1.3881 2.1097 2.1207 2.4346 2.4421 2.6256 2.6335 12.4572 12.4687 12.6767 12.6785 12.8439 12.8489 14.0840 14.0994 k = 0.0000 0.0000 0.5889 ( 2365 PWs) bands (ev): -17.8978 -17.8978 -16.4606 -16.4604 -15.3610 -15.3603 -15.2280 -15.2273 -6.6722 -6.6720 -5.5573 -5.5556 -3.5062 -3.4978 -3.2710 -3.2615 -0.9450 -0.9339 -0.2999 -0.2863 0.2714 0.2818 0.4793 0.4823 1.4102 1.4130 2.1077 2.1176 2.4430 2.4497 2.6222 2.6300 12.4836 12.4947 12.7107 12.7131 12.8543 12.8595 14.0797 14.0944 k = 0.0000 0.0000 0.6033 ( 2356 PWs) bands (ev): -17.8730 -17.8730 -16.4926 -16.4924 -15.3626 -15.3620 -15.2309 -15.2302 -6.6125 -6.6122 -5.6040 -5.6024 -3.4809 -3.4725 -3.2680 -3.2585 -0.9321 -0.9208 -0.3438 -0.3301 0.2593 0.2695 0.4600 0.4634 1.4350 1.4376 2.1034 2.1122 2.4528 2.4587 2.6182 2.6258 12.5087 12.5191 12.7401 12.7428 12.8668 12.8721 14.0706 14.0845 k = 0.0000 0.0000 0.6177 ( 2356 PWs) bands (ev): -17.8496 -17.8495 -16.5225 -16.5224 -15.3641 -15.3635 -15.2336 -15.2329 -6.5531 -6.5527 -5.6516 -5.6501 -3.4569 -3.4484 -3.2665 -3.2570 -0.9169 -0.9053 -0.3873 -0.3735 0.2502 0.2602 0.4407 0.4444 1.4591 1.4614 2.0973 2.1051 2.4635 2.4687 2.6136 2.6210 12.5322 12.5419 12.7646 12.7675 12.8810 12.8864 14.0571 14.0700 k = 0.0000 0.0000 0.6320 ( 2356 PWs) bands (ev): -17.8278 -17.8278 -16.5501 -16.5499 -15.3654 -15.3649 -15.2359 -15.2353 -6.4941 -6.4938 -5.7000 -5.6986 -3.4343 -3.4257 -3.2665 -3.2571 -0.8992 -0.8875 -0.4301 -0.4164 0.2440 0.2536 0.4217 0.4256 1.4820 1.4842 2.0899 2.0966 2.4748 2.4797 2.6083 2.6156 12.5541 12.5630 12.7844 12.7873 12.8966 12.9019 14.0402 14.0519 k = 0.0000 0.0000 0.6464 ( 2360 PWs) bands (ev): -17.8080 -17.8080 -16.5749 -16.5748 -15.3665 -15.3661 -15.2380 -15.2375 -6.4358 -6.4354 -5.7490 -5.7477 -3.4130 -3.4043 -3.2680 -3.2586 -0.8793 -0.8675 -0.4722 -0.4586 0.2405 0.2496 0.4032 0.4073 1.5034 1.5053 2.0818 2.0875 2.4865 2.4911 2.6024 2.6095 12.5742 12.5822 12.7999 12.8025 12.9128 12.9179 14.0211 14.0315 k = 0.0000 0.0000 0.6607 ( 2352 PWs) bands (ev): -17.7905 -17.7904 -16.5967 -16.5965 -15.3675 -15.3671 -15.2397 -15.2393 -6.3783 -6.3779 -5.7986 -5.7974 -3.3932 -3.3845 -3.2709 -3.2616 -0.8571 -0.8452 -0.5133 -0.4998 0.2395 0.2479 0.3858 0.3900 1.5228 1.5245 2.0736 2.0783 2.4983 2.5029 2.5959 2.6028 12.5923 12.5992 12.8113 12.8138 12.9290 12.9337 14.0014 14.0104 k = 0.0000 0.0000 0.6751 ( 2356 PWs) bands (ev): -17.7756 -17.7756 -16.6151 -16.6150 -15.3682 -15.3679 -15.2411 -15.2408 -6.3221 -6.3216 -5.8482 -5.8471 -3.3750 -3.3664 -3.2752 -3.2661 -0.8328 -0.8209 -0.5531 -0.5398 0.2405 0.2481 0.3697 0.3739 1.5397 1.5411 2.0659 2.0696 2.5100 2.5146 2.5887 2.5954 12.6079 12.6137 12.8195 12.8216 12.9441 12.9483 13.9827 13.9901 k = 0.0000 0.0000 0.6895 ( 2356 PWs) bands (ev): -17.7636 -17.7636 -16.6298 -16.6297 -15.3688 -15.3686 -15.2422 -15.2420 -6.2679 -6.2674 -5.8972 -5.8963 -3.3584 -3.3501 -3.2807 -3.2720 -0.8068 -0.7950 -0.5911 -0.5783 0.2431 0.2496 0.3557 0.3596 1.5536 1.5547 2.0592 2.0620 2.5215 2.5263 2.5808 2.5873 12.6209 12.6254 12.8250 12.8267 12.9574 12.9607 13.9664 13.9721 k = 0.0000 0.0000 0.7038 ( 2352 PWs) bands (ev): -17.7548 -17.7548 -16.6405 -16.6404 -15.3692 -15.3691 -15.2430 -15.2428 -6.2175 -6.2171 -5.9438 -5.9431 -3.3438 -3.3361 -3.2868 -3.2789 -0.7797 -0.7684 -0.6263 -0.6144 0.2467 0.2516 0.3447 0.3478 1.5641 1.5648 2.0541 2.0560 2.5326 2.5377 2.5724 2.5785 12.6308 12.6339 12.8284 12.8296 12.9677 12.9701 13.9541 13.9579 k = 0.0000 0.0000 0.7182 ( 2348 PWs) bands (ev): -17.7495 -17.7495 -16.6470 -16.6470 -15.3695 -15.3694 -15.2435 -15.2434 -6.1761 -6.1757 -5.9829 -5.9823 -3.3318 -3.3263 -3.2920 -3.2863 -0.7534 -0.7445 -0.6554 -0.6461 0.2502 0.2529 0.3377 0.3396 1.5706 1.5710 2.0510 2.0519 2.5434 2.5487 2.5633 2.5692 12.6373 12.6388 12.8304 12.8310 12.9746 12.9758 13.9466 13.9486 k = 0.0000 0.0000 0.7326 ( 2348 PWs) bands (ev): -17.7477 -17.7477 -16.6492 -16.6492 -15.3695 -15.3695 -15.2436 -15.2436 -6.1577 -6.1577 -6.0001 -6.0001 -3.3246 -3.3246 -3.2921 -3.2921 -0.7361 -0.7361 -0.6654 -0.6654 0.2525 0.2525 0.3359 0.3359 1.5729 1.5729 2.0503 2.0503 2.5535 2.5535 2.5593 2.5593 12.6400 12.6400 12.8312 12.8312 12.9773 12.9773 13.9447 13.9447 k = 0.0000 0.0000 0.7326 ( 2348 PWs) bands (ev): -17.7477 -17.7477 -16.6492 -16.6492 -15.3695 -15.3695 -15.2436 -15.2436 -6.1577 -6.1577 -6.0001 -6.0001 -3.3246 -3.3246 -3.2921 -3.2921 -0.7361 -0.7361 -0.6654 -0.6654 0.2525 0.2525 0.3359 0.3359 1.5729 1.5729 2.0503 2.0503 2.5535 2.5535 2.5593 2.5593 12.6400 12.6400 12.8312 12.8312 12.9773 12.9773 13.9447 13.9447 k =-0.0095 0.0102 0.7326 ( 2348 PWs) bands (ev): -17.7477 -17.7477 -16.6492 -16.6490 -15.3695 -15.3695 -15.2439 -15.2436 -6.1572 -6.1571 -5.9998 -5.9994 -3.3255 -3.3247 -3.2926 -3.2920 -0.7376 -0.7358 -0.6663 -0.6645 0.2523 0.2532 0.3361 0.3366 1.5729 1.5731 2.0506 2.0508 2.5447 2.5500 2.5610 2.5668 12.6397 12.6405 12.8310 12.8312 12.9764 12.9776 13.9442 13.9447 k =-0.0190 0.0203 0.7326 ( 2354 PWs) bands (ev): -17.7478 -17.7478 -16.6491 -16.6487 -15.3696 -15.3696 -15.2444 -15.2438 -6.1557 -6.1555 -5.9984 -5.9975 -3.3274 -3.3257 -3.2936 -3.2923 -0.7402 -0.7365 -0.6673 -0.6638 0.2525 0.2542 0.3370 0.3380 1.5731 1.5735 2.0519 2.0523 2.5341 2.5392 2.5667 2.5728 12.6396 12.6411 12.8305 12.8309 12.9748 12.9773 13.9432 13.9442 k =-0.0284 0.0305 0.7326 ( 2354 PWs) bands (ev): -17.7479 -17.7479 -16.6489 -16.6483 -15.3697 -15.3696 -15.2452 -15.2443 -6.1532 -6.1529 -5.9959 -5.9945 -3.3301 -3.3278 -3.2950 -3.2932 -0.7437 -0.7384 -0.6684 -0.6633 0.2530 0.2557 0.3386 0.3401 1.5734 1.5740 2.0540 2.0547 2.5220 2.5268 2.5710 2.5772 12.6397 12.6420 12.8298 12.8304 12.9728 12.9765 13.9418 13.9433 k =-0.0379 0.0406 0.7326 ( 2350 PWs) bands (ev): -17.7480 -17.7480 -16.6485 -16.6477 -15.3698 -15.3697 -15.2462 -15.2450 -6.1496 -6.1493 -5.9923 -5.9905 -3.3338 -3.3308 -3.2968 -3.2945 -0.7480 -0.7413 -0.6695 -0.6631 0.2540 0.2575 0.3409 0.3428 1.5738 1.5746 2.0571 2.0579 2.5082 2.5128 2.5737 2.5802 12.6398 12.6429 12.8289 12.8297 12.9703 12.9752 13.9397 13.9417 k =-0.0474 0.0508 0.7326 ( 2350 PWs) bands (ev): -17.7482 -17.7482 -16.6481 -16.6470 -15.3699 -15.3698 -15.2475 -15.2460 -6.1451 -6.1447 -5.9876 -5.9854 -3.3382 -3.3347 -3.2990 -3.2964 -0.7531 -0.7451 -0.6707 -0.6630 0.2554 0.2596 0.3438 0.3462 1.5743 1.5754 2.0610 2.0620 2.4928 2.4971 2.5751 2.5818 12.6399 12.6437 12.8278 12.8288 12.9676 12.9735 13.9371 13.9395 k =-0.0569 0.0609 0.7326 ( 2350 PWs) bands (ev): -17.7485 -17.7484 -16.6474 -16.6462 -15.3701 -15.3700 -15.2490 -15.2472 -6.1396 -6.1391 -5.9819 -5.9792 -3.3434 -3.3395 -3.3017 -3.2989 -0.7588 -0.7497 -0.6719 -0.6633 0.2572 0.2621 0.3473 0.3501 1.5749 1.5761 2.0658 2.0668 2.4759 2.4798 2.5751 2.5820 12.6398 12.6442 12.8266 12.8277 12.9648 12.9718 13.9337 13.9365 k =-0.0664 0.0711 0.7326 ( 2354 PWs) bands (ev): -17.7488 -17.7487 -16.6467 -16.6452 -15.3703 -15.3701 -15.2507 -15.2486 -6.1332 -6.1327 -5.9752 -5.9721 -3.3492 -3.3451 -3.3049 -3.3019 -0.7650 -0.7550 -0.6733 -0.6638 0.2593 0.2649 0.3512 0.3544 1.5754 1.5769 2.0712 2.0723 2.4574 2.4609 2.5739 2.5810 12.6392 12.6443 12.8253 12.8264 12.9623 12.9702 13.9295 13.9327 k =-0.0758 0.0812 0.7326 ( 2358 PWs) bands (ev): -17.7491 -17.7490 -16.6458 -16.6442 -15.3705 -15.3703 -15.2527 -15.2503 -6.1259 -6.1253 -5.9675 -5.9640 -3.3558 -3.3513 -3.3085 -3.3054 -0.7715 -0.7608 -0.6747 -0.6645 0.2618 0.2680 0.3555 0.3591 1.5759 1.5775 2.0773 2.0783 2.4374 2.4406 2.5715 2.5788 12.6382 12.6439 12.8238 12.8249 12.9603 12.9690 13.9244 13.9279 k =-0.0853 0.0914 0.7326 ( 2362 PWs) bands (ev): -17.7495 -17.7494 -16.6449 -16.6430 -15.3707 -15.3705 -15.2548 -15.2522 -6.1178 -6.1171 -5.9588 -5.9549 -3.3629 -3.3582 -3.3127 -3.3095 -0.7783 -0.7670 -0.6761 -0.6654 0.2646 0.2713 0.3602 0.3641 1.5761 1.5779 2.0839 2.0848 2.4162 2.4188 2.5680 2.5756 12.6365 12.6427 12.8221 12.8231 12.9592 12.9686 13.9182 13.9221 k =-0.0948 0.1015 0.7326 ( 2362 PWs) bands (ev): -17.7499 -17.7498 -16.6438 -16.6417 -15.3709 -15.3707 -15.2572 -15.2542 -6.1089 -6.1080 -5.9493 -5.9450 -3.3705 -3.3657 -3.3173 -3.3140 -0.7852 -0.7733 -0.6775 -0.6664 0.2677 0.2749 0.3650 0.3692 1.5761 1.5781 2.0908 2.0915 2.3939 2.3959 2.5636 2.5715 12.6341 12.6406 12.8200 12.8209 12.9593 12.9691 13.9110 13.9152 k =-0.1043 0.1117 0.7326 ( 2368 PWs) bands (ev): -17.7503 -17.7503 -16.6426 -16.6403 -15.3711 -15.3709 -15.2597 -15.2565 -6.0991 -6.0982 -5.9389 -5.9342 -3.3786 -3.3737 -3.3223 -3.3191 -0.7921 -0.7798 -0.6789 -0.6674 0.2710 0.2786 0.3700 0.3745 1.5756 1.5778 2.0976 2.0982 2.3707 2.3720 2.5584 2.5665 12.6308 12.6376 12.8172 12.8182 12.9609 12.9710 13.9025 13.9070 k =-0.1138 0.1218 0.7326 ( 2366 PWs) bands (ev): -17.7509 -17.7508 -16.6413 -16.6389 -15.3713 -15.3711 -15.2624 -15.2590 -6.0888 -6.0878 -5.9278 -5.9226 -3.3871 -3.3821 -3.3278 -3.3246 -0.7988 -0.7862 -0.6802 -0.6683 0.2745 0.2825 0.3750 0.3797 1.5746 1.5770 2.1037 2.1047 2.3470 2.3477 2.5525 2.5608 12.6268 12.6338 12.8135 12.8150 12.9643 12.9745 13.8928 13.8976 k =-0.1232 0.1320 0.7326 ( 2358 PWs) bands (ev): -17.7514 -17.7513 -16.6399 -16.6373 -15.3715 -15.3713 -15.2653 -15.2616 -6.0777 -6.0767 -5.9158 -5.9103 -3.3959 -3.3909 -3.3338 -3.3305 -0.8053 -0.7924 -0.6812 -0.6691 0.2781 0.2864 0.3799 0.3849 1.5730 1.5756 2.1083 2.1102 2.3229 2.3243 2.5462 2.5547 12.6221 12.6291 12.8089 12.8111 12.9697 12.9798 13.8818 13.8868 k =-0.1327 0.1421 0.7326 ( 2358 PWs) bands (ev): -17.7520 -17.7519 -16.6384 -16.6357 -15.3717 -15.3715 -15.2683 -15.2644 -6.0661 -6.0650 -5.9033 -5.8974 -3.4050 -3.3999 -3.3401 -3.3368 -0.8115 -0.7984 -0.6820 -0.6697 0.2819 0.2904 0.3848 0.3900 1.5705 1.5733 2.1102 2.1136 2.2998 2.3029 2.5394 2.5482 12.6168 12.6238 12.8034 12.8064 12.9769 12.9869 13.8695 13.8747 k =-0.1422 0.1523 0.7326 ( 2354 PWs) bands (ev): -17.7526 -17.7525 -16.6369 -16.6340 -15.3719 -15.3716 -15.2714 -15.2673 -6.0540 -6.0528 -5.8900 -5.8838 -3.4142 -3.4091 -3.3467 -3.3435 -0.8173 -0.8040 -0.6824 -0.6699 0.2856 0.2944 0.3895 0.3948 1.5670 1.5700 2.1078 2.1130 2.2797 2.2848 2.5325 2.5414 12.6111 12.6179 12.7969 12.8009 12.9860 12.9956 13.8558 13.8612 k =-0.1517 0.1624 0.7326 ( 2354 PWs) bands (ev): -17.7533 -17.7532 -16.6353 -16.6322 -15.3721 -15.3718 -15.2747 -15.2704 -6.0415 -6.0402 -5.8763 -5.8697 -3.4236 -3.4185 -3.3537 -3.3504 -0.8226 -0.8091 -0.6824 -0.6698 0.2894 0.2983 0.3940 0.3994 1.5624 1.5656 2.0990 2.1061 2.2650 2.2721 2.5255 2.5347 12.6050 12.6116 12.7897 12.7945 12.9966 13.0060 13.8407 13.8463 k =-0.1612 0.1726 0.7326 ( 2350 PWs) bands (ev): -17.7540 -17.7539 -16.6336 -16.6304 -15.3722 -15.3719 -15.2780 -15.2735 -6.0286 -6.0273 -5.8620 -5.8551 -3.4330 -3.4279 -3.3609 -3.3576 -0.8272 -0.8136 -0.6819 -0.6692 0.2931 0.3022 0.3982 0.4037 1.5565 1.5599 2.0826 2.0910 2.2574 2.2660 2.5187 2.5281 12.5988 12.6052 12.7818 12.7874 13.0087 13.0177 13.8244 13.8301 k =-0.1706 0.1827 0.7326 ( 2350 PWs) bands (ev): -17.7548 -17.7547 -16.6318 -16.6285 -15.3723 -15.3720 -15.2815 -15.2768 -6.0155 -6.0140 -5.8474 -5.8402 -3.4424 -3.4373 -3.3684 -3.3649 -0.8312 -0.8174 -0.6808 -0.6680 0.2967 0.3059 0.4021 0.4076 1.5491 1.5527 2.0589 2.0679 2.2568 2.2661 2.5123 2.5218 12.5926 12.5988 12.7734 12.7798 13.0218 13.0305 13.8067 13.8125 k =-0.1801 0.1929 0.7326 ( 2354 PWs) bands (ev): -17.7556 -17.7555 -16.6300 -16.6266 -15.3724 -15.3720 -15.2849 -15.2802 -6.0021 -6.0006 -5.8324 -5.8249 -3.4516 -3.4465 -3.3760 -3.3724 -0.8344 -0.8205 -0.6790 -0.6661 0.3002 0.3094 0.4056 0.4112 1.5400 1.5438 2.0293 2.0383 2.2618 2.2711 2.5063 2.5160 12.5867 12.5927 12.7647 12.7718 13.0358 13.0441 13.7877 13.7937 k =-0.1896 0.2030 0.7326 ( 2358 PWs) bands (ev): -17.7564 -17.7563 -16.6282 -16.6247 -15.3724 -15.3721 -15.2885 -15.2836 -5.9886 -5.9871 -5.8171 -5.8093 -3.4607 -3.4556 -3.3838 -3.3801 -0.8367 -0.8228 -0.6764 -0.6635 0.3035 0.3128 0.4087 0.4143 1.5291 1.5332 1.9954 2.0041 2.2704 2.2796 2.5010 2.5109 12.5811 12.5868 12.7558 12.7636 13.0502 13.0583 13.7676 13.7737 k =-0.1991 0.2132 0.7326 ( 2350 PWs) bands (ev): -17.7573 -17.7572 -16.6264 -16.6227 -15.3724 -15.3720 -15.2921 -15.2870 -5.9751 -5.9735 -5.8016 -5.7936 -3.4694 -3.4644 -3.3915 -3.3877 -0.8382 -0.8242 -0.6730 -0.6601 0.3066 0.3160 0.4114 0.4170 1.5163 1.5206 1.9581 1.9665 2.2815 2.2904 2.4965 2.5065 12.5760 12.5816 12.7469 12.7553 13.0649 13.0727 13.7464 13.7526 k =-0.2086 0.2233 0.7326 ( 2350 PWs) bands (ev): -17.7582 -17.7581 -16.6245 -16.6208 -15.3723 -15.3720 -15.2957 -15.2905 -5.9617 -5.9600 -5.7860 -5.7778 -3.4779 -3.4728 -3.3994 -3.3954 -0.8386 -0.8246 -0.6687 -0.6558 0.3095 0.3189 0.4137 0.4193 1.5015 1.5060 1.9183 1.9264 2.2941 2.3027 2.4930 2.5030 12.5716 12.5769 12.7382 12.7470 13.0796 13.0872 13.7242 13.7304 k =-0.2180 0.2335 0.7326 ( 2346 PWs) bands (ev): -17.7591 -17.7590 -16.6226 -16.6188 -15.3722 -15.3719 -15.2993 -15.2940 -5.9484 -5.9467 -5.7703 -5.7619 -3.4859 -3.4808 -3.4071 -3.4030 -0.8381 -0.8241 -0.6635 -0.6505 0.3122 0.3216 0.4156 0.4211 1.4846 1.4892 1.8765 1.8843 2.3079 2.3162 2.4905 2.5005 12.5679 12.5731 12.7296 12.7389 13.0939 13.1013 13.7010 13.7073 k =-0.2180 0.2335 0.7326 ( 2346 PWs) bands (ev): -17.7591 -17.7590 -16.6226 -16.6188 -15.3722 -15.3719 -15.2993 -15.2940 -5.9484 -5.9467 -5.7703 -5.7619 -3.4859 -3.4808 -3.4071 -3.4030 -0.8381 -0.8241 -0.6635 -0.6505 0.3122 0.3216 0.4156 0.4211 1.4846 1.4892 1.8765 1.8843 2.3079 2.3162 2.4905 2.5005 12.5679 12.5731 12.7296 12.7389 13.0939 13.1013 13.7010 13.7073 k =-0.2247 0.2407 0.7227 ( 2348 PWs) bands (ev): -17.7602 -17.7601 -16.6208 -16.6170 -15.3701 -15.3697 -15.3036 -15.2984 -5.9504 -5.9485 -5.7471 -5.7388 -3.4954 -3.4912 -3.4101 -3.4050 -0.8469 -0.8330 -0.6485 -0.6353 0.3273 0.3355 0.4035 0.4090 1.4660 1.4708 1.8522 1.8599 2.3216 2.3303 2.4850 2.4953 12.5627 12.5680 12.7125 12.7212 13.1076 13.1147 13.6948 13.7016 k =-0.2315 0.2478 0.7129 ( 2346 PWs) bands (ev): -17.7622 -17.7621 -16.6181 -16.6142 -15.3678 -15.3673 -15.3079 -15.3027 -5.9617 -5.9596 -5.7149 -5.7069 -3.5087 -3.5043 -3.4109 -3.4042 -0.8564 -0.8428 -0.6307 -0.6175 0.3417 0.3480 0.3926 0.3991 1.4469 1.4519 1.8270 1.8345 2.3344 2.3435 2.4806 2.4912 12.5516 12.5574 12.6996 12.7077 13.1221 13.1288 13.6906 13.6978 k =-0.2382 0.2550 0.7031 ( 2344 PWs) bands (ev): -17.7649 -17.7648 -16.6145 -16.6106 -15.3654 -15.3648 -15.3121 -15.3069 -5.9780 -5.9755 -5.6783 -5.6706 -3.5244 -3.5196 -3.4099 -3.4020 -0.8660 -0.8529 -0.6107 -0.5978 0.3500 0.3549 0.3868 0.3968 1.4276 1.4327 1.8008 1.8083 2.3458 2.3555 2.4774 2.4883 12.5353 12.5417 12.6908 12.6983 13.1370 13.1433 13.6881 13.6956 k =-0.2449 0.2622 0.6932 ( 2347 PWs) bands (ev): -17.7681 -17.7680 -16.6103 -16.6064 -15.3627 -15.3621 -15.3163 -15.3111 -5.9966 -5.9938 -5.6398 -5.6323 -3.5416 -3.5365 -3.4078 -3.3990 -0.8753 -0.8628 -0.5892 -0.5765 0.3449 0.3507 0.3944 0.4064 1.4083 1.4135 1.7738 1.7813 2.3553 2.3658 2.4758 2.4869 12.5152 12.5221 12.6852 12.6924 13.1522 13.1581 13.6869 13.6946 k =-0.2516 0.2694 0.6834 ( 2345 PWs) bands (ev): -17.7719 -17.7718 -16.6055 -16.6016 -15.3600 -15.3592 -15.3203 -15.3151 -6.0161 -6.0132 -5.6009 -5.5935 -3.5597 -3.5544 -3.4050 -3.3956 -0.8842 -0.8723 -0.5663 -0.5540 0.3328 0.3384 0.4109 0.4226 1.3891 1.3945 1.7463 1.7537 2.3627 2.3738 2.4760 2.4873 12.4927 12.5001 12.6817 12.6888 13.1675 13.1730 13.6868 13.6946 k =-0.2583 0.2766 0.6736 ( 2345 PWs) bands (ev): -17.7760 -17.7759 -16.6003 -16.5964 -15.3571 -15.3562 -15.3242 -15.3192 -6.0359 -6.0328 -5.5622 -5.5549 -3.5782 -3.5730 -3.4019 -3.3920 -0.8926 -0.8812 -0.5424 -0.5305 0.3182 0.3233 0.4302 0.4415 1.3705 1.3758 1.7183 1.7257 2.3679 2.3795 2.4781 2.4893 12.4692 12.4769 12.6796 12.6868 13.1828 13.1879 13.6875 13.6952 k =-0.2650 0.2838 0.6637 ( 2345 PWs) bands (ev): -17.7804 -17.7803 -16.5949 -16.5909 -15.3542 -15.3532 -15.3280 -15.3231 -6.0554 -6.0522 -5.5244 -5.5171 -3.5970 -3.5919 -3.3987 -3.3884 -0.9004 -0.8895 -0.5176 -0.5061 0.3020 0.3068 0.4508 0.4617 1.3525 1.3578 1.6900 1.6974 2.3710 2.3828 2.4822 2.4929 12.4455 12.4534 12.6782 12.6856 13.1979 13.2026 13.6886 13.6963 k =-0.2717 0.2910 0.6539 ( 2345 PWs) bands (ev): -17.7849 -17.7848 -16.5893 -16.5854 -15.3513 -15.3502 -15.3315 -15.3268 -6.0744 -6.0711 -5.4877 -5.4805 -3.6157 -3.6108 -3.3954 -3.3848 -0.9074 -0.8970 -0.4922 -0.4811 0.2848 0.2892 0.4721 0.4826 1.3353 1.3407 1.6615 1.6689 2.3723 2.3841 2.4876 2.4978 12.4223 12.4304 12.6775 12.6851 13.2128 13.2171 13.6899 13.6974 k =-0.2785 0.2982 0.6440 ( 2345 PWs) bands (ev): -17.7894 -17.7894 -16.5836 -16.5797 -15.3486 -15.3472 -15.3347 -15.3304 -6.0926 -6.0892 -5.4525 -5.4454 -3.6341 -3.6295 -3.3922 -3.3814 -0.9138 -0.9038 -0.4663 -0.4555 0.2667 0.2706 0.4939 0.5041 1.3192 1.3245 1.6329 1.6404 2.3723 2.3838 2.4941 2.5034 12.4001 12.4083 12.6771 12.6849 13.2272 13.2313 13.6910 13.6983 k =-0.2852 0.3054 0.6342 ( 2349 PWs) bands (ev): -17.7940 -17.7939 -16.5781 -16.5742 -15.3468 -15.3444 -15.3369 -15.3335 -6.1098 -6.1064 -5.4191 -5.4120 -3.6521 -3.6478 -3.3891 -3.3782 -0.9195 -0.9099 -0.4400 -0.4297 0.2477 0.2512 0.5158 0.5259 1.3044 1.3096 1.6044 1.6120 2.3712 2.3824 2.5010 2.5094 12.3791 12.3874 12.6771 12.6851 13.2412 13.2451 13.6918 13.6987 k =-0.2919 0.3125 0.6244 ( 2349 PWs) bands (ev): -17.7984 -17.7983 -16.5727 -16.5688 -15.3470 -15.3425 -15.3378 -15.3349 -6.1259 -6.1224 -5.3876 -5.3806 -3.6692 -3.6654 -3.3862 -3.3752 -0.9244 -0.9152 -0.4135 -0.4036 0.2278 0.2309 0.5379 0.5477 1.2910 1.2961 1.5762 1.5839 2.3694 2.3803 2.5080 2.5156 12.3597 12.3680 12.6774 12.6856 13.2547 13.2585 13.6918 13.6985 k =-0.2986 0.3197 0.6145 ( 2351 PWs) bands (ev): -17.8026 -17.8025 -16.5676 -16.5637 -15.3491 -15.3434 -15.3366 -15.3334 -6.1407 -6.1373 -5.3584 -5.3515 -3.6855 -3.6821 -3.3836 -3.3724 -0.9286 -0.9197 -0.3871 -0.3777 0.2072 0.2098 0.5597 0.5694 1.2791 1.2841 1.5484 1.5563 2.3672 2.3777 2.5148 2.5215 12.3420 12.3503 12.6779 12.6863 13.2677 13.2713 13.6910 13.6973 k =-0.3053 0.3269 0.6047 ( 2353 PWs) bands (ev): -17.8065 -17.8065 -16.5628 -16.5589 -15.3518 -15.3462 -15.3339 -15.3308 -6.1542 -6.1508 -5.3317 -5.3248 -3.7006 -3.6976 -3.3812 -3.3699 -0.9320 -0.9235 -0.3610 -0.3520 0.1859 0.1881 0.5813 0.5908 1.2688 1.2737 1.5213 1.5294 2.3648 2.3750 2.5213 2.5272 12.3262 12.3345 12.6788 12.6874 13.2801 13.2837 13.6891 13.6950 k =-0.3120 0.3341 0.5949 ( 2352 PWs) bands (ev): -17.8101 -17.8101 -16.5584 -16.5545 -15.3547 -15.3492 -15.3310 -15.3279 -6.1663 -6.1628 -5.3076 -5.3009 -3.7142 -3.7119 -3.3790 -3.3678 -0.9348 -0.9265 -0.3354 -0.3269 0.1643 0.1658 0.6022 0.6116 1.2603 1.2651 1.4951 1.5034 2.3623 2.3721 2.5272 2.5324 12.3124 12.3207 12.6800 12.6887 13.2920 13.2956 13.6860 13.6915 k =-0.3187 0.3413 0.5850 ( 2356 PWs) bands (ev): -17.8134 -17.8133 -16.5544 -16.5506 -15.3575 -15.3522 -15.3281 -15.3249 -6.1768 -6.1733 -5.2865 -5.2798 -3.7264 -3.7245 -3.3772 -3.3659 -0.9368 -0.9288 -0.3107 -0.3028 0.1424 0.1433 0.6223 0.6315 1.2536 1.2584 1.4702 1.4787 2.3597 2.3692 2.5326 2.5371 12.3007 12.3090 12.6815 12.6903 13.3033 13.3070 13.6814 13.6865 k =-0.3254 0.3485 0.5752 ( 2357 PWs) bands (ev): -17.8162 -17.8162 -16.5510 -16.5472 -15.3603 -15.3552 -15.3253 -15.3219 -6.1858 -6.1823 -5.2685 -5.2619 -3.7367 -3.7354 -3.3757 -3.3643 -0.9382 -0.9304 -0.2873 -0.2802 0.1209 0.1210 0.6413 0.6504 1.2486 1.2534 1.4468 1.4556 2.3573 2.3665 2.5374 2.5413 12.2912 12.2995 12.6833 12.6923 13.3140 13.3179 13.6753 13.6799 k =-0.3322 0.3557 0.5654 ( 2354 PWs) bands (ev): -17.8185 -17.8185 -16.5481 -16.5443 -15.3630 -15.3580 -15.3226 -15.3191 -6.1931 -6.1896 -5.2538 -5.2473 -3.7452 -3.7441 -3.3745 -3.3631 -0.9388 -0.9312 -0.2660 -0.2597 0.0994 0.1003 0.6589 0.6678 1.2454 1.2503 1.4253 1.4344 2.3549 2.3639 2.5415 2.5448 12.2840 12.2923 12.6854 12.6945 13.3242 13.3283 13.6675 13.6717 k =-0.3389 0.3629 0.5555 ( 2350 PWs) bands (ev): -17.8204 -17.8204 -16.5458 -16.5420 -15.3655 -15.3607 -15.3201 -15.3164 -6.1986 -6.1952 -5.2426 -5.2362 -3.7518 -3.7506 -3.3736 -3.3623 -0.9388 -0.9313 -0.2475 -0.2423 0.0794 0.0814 0.6747 0.6835 1.2439 1.2489 1.4063 1.4157 2.3528 2.3614 2.5450 2.5478 12.2790 12.2872 12.6878 12.6970 13.3340 13.3383 13.6581 13.6618 k =-0.3456 0.3701 0.5457 ( 2349 PWs) bands (ev): -17.8218 -17.8217 -16.5441 -16.5403 -15.3679 -15.3633 -15.3177 -15.3138 -6.2025 -6.1990 -5.2350 -5.2286 -3.7563 -3.7546 -3.3731 -3.3618 -0.9381 -0.9307 -0.2331 -0.2291 0.0621 0.0655 0.6885 0.6971 1.2440 1.2490 1.3902 1.3999 2.3508 2.3591 2.5479 2.5503 12.2763 12.2845 12.6905 12.6998 13.3433 13.3479 13.6469 13.6501 k =-0.3523 0.3772 0.5358 ( 2353 PWs) bands (ev): -17.8226 -17.8225 -16.5430 -16.5392 -15.3701 -15.3657 -15.3155 -15.3115 -6.2046 -6.2011 -5.2310 -5.2248 -3.7586 -3.7563 -3.3730 -3.3617 -0.9367 -0.9295 -0.2242 -0.2215 0.0489 0.0539 0.6997 0.7081 1.2455 1.2505 1.3777 1.3875 2.3489 2.3571 2.5500 2.5521 12.2759 12.2840 12.6935 12.7028 13.3521 13.3571 13.6339 13.6366 k =-0.3590 0.3844 0.5260 ( 2351 PWs) bands (ev): -17.8229 -17.8228 -16.5426 -16.5388 -15.3722 -15.3680 -15.3135 -15.3093 -6.2048 -6.2013 -5.2309 -5.2246 -3.7585 -3.7555 -3.3732 -3.3620 -0.9347 -0.9275 -0.2223 -0.2203 0.0411 0.0479 0.7082 0.7163 1.2483 1.2531 1.3693 1.3791 2.3473 2.3552 2.5515 2.5535 12.2777 12.2858 12.6968 12.7062 13.3604 13.3659 13.6194 13.6214 k =-0.3590 0.3844 0.5260 ( 2351 PWs) bands (ev): -17.8229 -17.8228 -16.5426 -16.5388 -15.3722 -15.3680 -15.3135 -15.3093 -6.2048 -6.2013 -5.2309 -5.2246 -3.7585 -3.7555 -3.3732 -3.3620 -0.9347 -0.9275 -0.2223 -0.2203 0.0411 0.0479 0.7082 0.7163 1.2483 1.2531 1.3693 1.3791 2.3473 2.3552 2.5515 2.5535 12.2777 12.2858 12.6968 12.7062 13.3604 13.3659 13.6194 13.6214 k =-0.3521 0.3770 0.5159 ( 2355 PWs) bands (ev): -17.8321 -17.8320 -16.5320 -16.5282 -15.3717 -15.3674 -15.3090 -15.3046 -6.2514 -6.2478 -5.2008 -5.1944 -3.7807 -3.7775 -3.3658 -3.3544 -0.9510 -0.9438 -0.2372 -0.2354 0.0666 0.0732 0.7160 0.7243 1.2791 1.2842 1.4192 1.4291 2.3210 2.3291 2.5454 2.5474 12.2388 12.2471 12.6987 12.7080 13.3926 13.3980 13.6468 13.6487 k =-0.3452 0.3697 0.5058 ( 2355 PWs) bands (ev): -17.8424 -17.8424 -16.5200 -16.5161 -15.3710 -15.3667 -15.3043 -15.2998 -6.2991 -6.2956 -5.1705 -5.1641 -3.8033 -3.8000 -3.3590 -3.3474 -0.9650 -0.9579 -0.2501 -0.2485 0.0931 0.0994 0.7237 0.7322 1.3059 1.3109 1.4708 1.4807 2.2943 2.3026 2.5394 2.5415 12.2004 12.2090 12.7011 12.7103 13.4238 13.4291 13.6720 13.6737 k =-0.3383 0.3623 0.4957 ( 2351 PWs) bands (ev): -17.8540 -17.8539 -16.5065 -16.5025 -15.3701 -15.3657 -15.2995 -15.2948 -6.3481 -6.3445 -5.1402 -5.1336 -3.8263 -3.8229 -3.3527 -3.3410 -0.9769 -0.9697 -0.2610 -0.2596 0.1204 0.1265 0.7312 0.7400 1.3292 1.3343 1.5230 1.5327 2.2673 2.2758 2.5336 2.5356 12.1627 12.1716 12.7040 12.7131 13.4536 13.4587 13.6947 13.6963 k =-0.3314 0.3549 0.4855 ( 2357 PWs) bands (ev): -17.8666 -17.8666 -16.4915 -16.4875 -15.3690 -15.3646 -15.2945 -15.2897 -6.3980 -6.3945 -5.1099 -5.1033 -3.8496 -3.8461 -3.3471 -3.3352 -0.9865 -0.9792 -0.2696 -0.2684 0.1483 0.1543 0.7386 0.7476 1.3496 1.3546 1.5748 1.5843 2.2403 2.2489 2.5280 2.5301 12.1259 12.1350 12.7071 12.7161 13.4809 13.4859 13.7147 13.7164 k =-0.3245 0.3475 0.4754 ( 2365 PWs) bands (ev): -17.8805 -17.8804 -16.4750 -16.4710 -15.3677 -15.3632 -15.2894 -15.2845 -6.4489 -6.4454 -5.0799 -5.0733 -3.8732 -3.8696 -3.3421 -3.3303 -0.9939 -0.9865 -0.2759 -0.2749 0.1769 0.1827 0.7458 0.7550 1.3672 1.3724 1.6257 1.6350 2.2137 2.2224 2.5227 2.5247 12.0899 12.0993 12.7105 12.7194 13.5050 13.5097 13.7320 13.7338 k =-0.3176 0.3401 0.4653 ( 2363 PWs) bands (ev): -17.8954 -17.8954 -16.4570 -16.4530 -15.3662 -15.3617 -15.2841 -15.2791 -6.5005 -6.4971 -5.0503 -5.0436 -3.8970 -3.8932 -3.3380 -3.3260 -0.9991 -0.9917 -0.2797 -0.2789 0.2061 0.2116 0.7527 0.7622 1.3823 1.3875 1.6751 1.6843 2.1878 2.1965 2.5177 2.5198 12.0548 12.0646 12.7141 12.7229 13.5248 13.5293 13.7466 13.7485 k =-0.3107 0.3327 0.4552 ( 2363 PWs) bands (ev): -17.9114 -17.9114 -16.4374 -16.4335 -15.3644 -15.3599 -15.2787 -15.2736 -6.5529 -6.5496 -5.0213 -5.0145 -3.9210 -3.9170 -3.3347 -3.3227 -1.0024 -0.9949 -0.2809 -0.2803 0.2356 0.2410 0.7594 0.7691 1.3948 1.4002 1.7226 1.7315 2.1632 2.1718 2.5132 2.5152 12.0209 12.0309 12.7178 12.7264 13.5393 13.5433 13.7586 13.7607 k =-0.3038 0.3253 0.4451 ( 2363 PWs) bands (ev): -17.9285 -17.9284 -16.4164 -16.4125 -15.3625 -15.3580 -15.2732 -15.2679 -6.6059 -6.6026 -4.9928 -4.9860 -3.9450 -3.9409 -3.3322 -3.3202 -1.0037 -0.9961 -0.2794 -0.2789 0.2654 0.2707 0.7656 0.7757 1.4047 1.4103 1.7674 1.7760 2.1405 2.1488 2.5092 2.5111 11.9879 11.9982 12.7214 12.7299 13.5471 13.5507 13.7680 13.7703 k =-0.2969 0.3179 0.4350 ( 2363 PWs) bands (ev): -17.9465 -17.9465 -16.3940 -16.3901 -15.3604 -15.3559 -15.2675 -15.2622 -6.6594 -6.6563 -4.9650 -4.9583 -3.9690 -3.9648 -3.3307 -3.3187 -1.0032 -0.9955 -0.2750 -0.2745 0.2955 0.3006 0.7715 0.7819 1.4122 1.4179 1.8088 1.8167 2.1208 2.1286 2.5057 2.5075 11.9561 11.9666 12.7250 12.7334 13.5471 13.5503 13.7752 13.7777 k =-0.2900 0.3105 0.4249 ( 2363 PWs) bands (ev): -17.9655 -17.9654 -16.3702 -16.3663 -15.3581 -15.3536 -15.2618 -15.2564 -6.7134 -6.7103 -4.9381 -4.9313 -3.9929 -3.9886 -3.3302 -3.3182 -1.0011 -0.9933 -0.2677 -0.2672 0.3256 0.3306 0.7770 0.7876 1.4171 1.4231 1.8452 1.8522 2.1056 2.1125 2.5028 2.5045 11.9253 11.9361 12.7286 12.7368 13.5384 13.5410 13.7804 13.7830 k =-0.2831 0.3031 0.4147 ( 2359 PWs) bands (ev): -17.9852 -17.9851 -16.3450 -16.3411 -15.3557 -15.3512 -15.2559 -15.2505 -6.7677 -6.7647 -4.9119 -4.9052 -4.0167 -4.0123 -3.3307 -3.3188 -0.9975 -0.9895 -0.2573 -0.2567 0.3556 0.3605 0.7821 0.7930 1.4196 1.4259 1.8748 1.8801 2.0973 2.1026 2.5006 2.5022 11.8954 11.9065 12.7320 12.7401 13.5201 13.5222 13.7839 13.7866 k =-0.2762 0.2957 0.4046 ( 2355 PWs) bands (ev): -18.0057 -18.0056 -16.3185 -16.3147 -15.3531 -15.3487 -15.2500 -15.2445 -6.8222 -6.8194 -4.8867 -4.8800 -4.0403 -4.0358 -3.3323 -3.3204 -0.9925 -0.9845 -0.2437 -0.2430 0.3852 0.3902 0.7867 0.7980 1.4198 1.4263 1.8950 1.8981 2.0983 2.1013 2.4991 2.5006 11.8665 11.8778 12.7354 12.7433 13.4921 13.4937 13.7860 13.7888 k =-0.2693 0.2883 0.3945 ( 2359 PWs) bands (ev): -18.0269 -18.0268 -16.2908 -16.2870 -15.3504 -15.3460 -15.2440 -15.2385 -6.8770 -6.8743 -4.8624 -4.8557 -4.0637 -4.0591 -3.3349 -3.3231 -0.9864 -0.9782 -0.2269 -0.2261 0.4144 0.4194 0.7909 0.8026 1.4178 1.4246 1.9043 1.9052 2.1092 2.1102 2.4984 2.4998 11.8383 11.8498 12.7386 12.7464 13.4542 13.4557 13.7868 13.7897 k =-0.2624 0.2809 0.3844 ( 2363 PWs) bands (ev): -18.0487 -18.0486 -16.2620 -16.2582 -15.3476 -15.3432 -15.2380 -15.2324 -6.9319 -6.9293 -4.8391 -4.8324 -4.0867 -4.0820 -3.3387 -3.3270 -0.9792 -0.9710 -0.2068 -0.2059 0.4427 0.4478 0.7949 0.8070 1.4139 1.4209 1.9026 1.9048 2.1268 2.1291 2.4986 2.4998 11.8108 11.8224 12.7417 12.7493 13.4072 13.4088 13.7866 13.7895 k =-0.2555 0.2735 0.3743 ( 2367 PWs) bands (ev): -18.0709 -18.0708 -16.2321 -16.2284 -15.3447 -15.3403 -15.2319 -15.2263 -6.9868 -6.9844 -4.8167 -4.8101 -4.1094 -4.1046 -3.3437 -3.3320 -0.9711 -0.9629 -0.1834 -0.1824 0.4699 0.4752 0.7988 0.8114 1.4083 1.4156 1.8946 1.8982 2.1496 2.1533 2.4996 2.5007 11.7837 11.7954 12.7447 12.7521 13.3520 13.3539 13.7855 13.7884 k =-0.2485 0.2661 0.3642 ( 2367 PWs) bands (ev): -18.0936 -18.0935 -16.2012 -16.1976 -15.3416 -15.3373 -15.2257 -15.2202 -7.0417 -7.0394 -4.7953 -4.7888 -4.1317 -4.1268 -3.3498 -3.3382 -0.9623 -0.9541 -0.1567 -0.1556 0.4955 0.5010 0.8029 0.8160 1.4013 1.4089 1.8834 1.8879 2.1751 2.1796 2.5016 2.5025 11.7568 11.7686 12.7477 12.7548 13.2899 13.2921 13.7836 13.7866 k =-0.2416 0.2588 0.3540 ( 2363 PWs) bands (ev): -18.1166 -18.1165 -16.1694 -16.1658 -15.3385 -15.3343 -15.2195 -15.2140 -7.0965 -7.0943 -4.7749 -4.7685 -4.1535 -4.1486 -3.3571 -3.3457 -0.9528 -0.9446 -0.1268 -0.1256 0.5189 0.5247 0.8078 0.8213 1.3934 1.4011 1.8705 1.8755 2.2012 2.2062 2.5046 2.5053 11.7299 11.7417 12.7506 12.7572 13.2224 13.2249 13.7810 13.7840 k =-0.2347 0.2514 0.3439 ( 2359 PWs) bands (ev): -18.1399 -18.1398 -16.1368 -16.1333 -15.3353 -15.3312 -15.2133 -15.2079 -7.1511 -7.1490 -4.7553 -4.7490 -4.1748 -4.1698 -3.3655 -3.3543 -0.9428 -0.9346 -0.0937 -0.0925 0.5395 0.5455 0.8139 0.8278 1.3848 1.3926 1.8568 1.8621 2.2269 2.2320 2.5084 2.5091 11.7028 11.7144 12.7531 12.7590 13.1510 13.1536 13.7779 13.7809 k =-0.2278 0.2440 0.3338 ( 2351 PWs) bands (ev): -18.1633 -18.1632 -16.1035 -16.1001 -15.3321 -15.3280 -15.2072 -15.2017 -7.2054 -7.2034 -4.7367 -4.7305 -4.1955 -4.1904 -3.3752 -3.3641 -0.9323 -0.9241 -0.0577 -0.0564 0.5566 0.5628 0.8221 0.8361 1.3759 1.3838 1.8427 1.8481 2.2515 2.2565 2.5131 2.5139 11.6750 11.6864 12.7547 12.7594 13.0777 13.0805 13.7744 13.7774 k =-0.2209 0.2366 0.3237 ( 2349 PWs) bands (ev): -18.1868 -18.1867 -16.0696 -16.0662 -15.3289 -15.3248 -15.2010 -15.1956 -7.2594 -7.2575 -4.7190 -4.7129 -4.2157 -4.2105 -3.3860 -3.3751 -0.9213 -0.9132 -0.0188 -0.0175 0.5696 0.5758 0.8328 0.8469 1.3669 1.3748 1.8283 1.8338 2.2745 2.2794 2.5186 2.5196 11.6464 11.6575 12.7536 12.7565 13.0053 13.0087 13.7704 13.7734 k =-0.2140 0.2292 0.3136 ( 2365 PWs) bands (ev): -18.2104 -18.2103 -16.0351 -16.0318 -15.3256 -15.3217 -15.1948 -15.1896 -7.3130 -7.3112 -4.7021 -4.6962 -4.2351 -4.2299 -3.3981 -3.3873 -0.9100 -0.9020 0.0227 0.0240 0.5781 0.5840 0.8467 0.8604 1.3581 1.3660 1.8137 1.8192 2.2959 2.3005 2.5247 2.5262 11.6164 11.6271 12.7445 12.7467 12.9390 12.9446 13.7661 13.7690 k =-0.2071 0.2218 0.3035 ( 2363 PWs) bands (ev): -18.2338 -18.2337 -16.0002 -15.9969 -15.3223 -15.3185 -15.1887 -15.1836 -7.3660 -7.3645 -4.6860 -4.6802 -4.2539 -4.2486 -3.4112 -3.4006 -0.8984 -0.8905 0.0667 0.0680 0.5820 0.5875 0.8637 0.8769 1.3498 1.3576 1.7990 1.8045 2.3156 2.3198 2.5315 2.5334 11.5848 11.5950 12.7161 12.7228 12.8892 12.8987 13.7615 13.7644 k =-0.2002 0.2144 0.2933 ( 2367 PWs) bands (ev): -18.2572 -18.2571 -15.9650 -15.9618 -15.3190 -15.3153 -15.1827 -15.1776 -7.4186 -7.4171 -4.6706 -4.6650 -4.2719 -4.2666 -3.4255 -3.4150 -0.8864 -0.8787 0.1129 0.1141 0.5815 0.5865 0.8836 0.8961 1.3421 1.3498 1.7840 1.7895 2.3337 2.3375 2.5386 2.5410 11.5513 11.5610 12.6648 12.6749 12.8652 12.8772 13.7566 13.7595 k =-0.1933 0.2070 0.2832 ( 2361 PWs) bands (ev): -18.2803 -18.2802 -15.9295 -15.9264 -15.3158 -15.3121 -15.1767 -15.1717 -7.4705 -7.4691 -4.6560 -4.6505 -4.2892 -4.2838 -3.4408 -3.4306 -0.8742 -0.8666 0.1610 0.1622 0.5772 0.5817 0.9059 0.9177 1.3351 1.3426 1.7689 1.7743 2.3502 2.3536 2.5460 2.5488 11.5156 11.5245 12.5981 12.6094 12.8614 12.8737 13.7515 13.7543 k =-0.1864 0.1996 0.2731 ( 2365 PWs) bands (ev): -18.3031 -18.3030 -15.8938 -15.8908 -15.3125 -15.3090 -15.1708 -15.1659 -7.5216 -7.5204 -4.6420 -4.6367 -4.3056 -4.3003 -3.4571 -3.4471 -0.8617 -0.8543 0.2108 0.2119 0.5697 0.5736 0.9300 0.9411 1.3288 1.3361 1.7535 1.7588 2.3654 2.3684 2.5534 2.5565 11.4773 11.4855 12.5249 12.5367 12.8682 12.8802 13.7460 13.7488 k =-0.1795 0.1922 0.2630 ( 2365 PWs) bands (ev): -18.3257 -18.3256 -15.8582 -15.8553 -15.3093 -15.3059 -15.1650 -15.1603 -7.5720 -7.5709 -4.6287 -4.6236 -4.3213 -4.3159 -3.4744 -3.4646 -0.8490 -0.8417 0.2621 0.2631 0.5596 0.5631 0.9555 0.9659 1.3232 1.3304 1.7379 1.7431 2.3794 2.3820 2.5605 2.5640 11.4363 11.4437 12.4502 12.4622 12.8811 12.8924 13.7404 13.7431 k =-0.1726 0.1848 0.2529 ( 2365 PWs) bands (ev): -18.3478 -18.3477 -15.8226 -15.8198 -15.3062 -15.3028 -15.1592 -15.1547 -7.6215 -7.6205 -4.6160 -4.6110 -4.3360 -4.3306 -3.4926 -3.4830 -0.8360 -0.8290 0.3145 0.3155 0.5474 0.5506 0.9818 0.9916 1.3184 1.3254 1.7220 1.7271 2.3924 2.3947 2.5672 2.5710 11.3923 11.3989 12.3762 12.3884 12.8980 12.9088 13.7345 13.7371 k =-0.1657 0.1774 0.2428 ( 2365 PWs) bands (ev): -18.3694 -18.3694 -15.7872 -15.7845 -15.3031 -15.2998 -15.1537 -15.1492 -7.6700 -7.6691 -4.6038 -4.5991 -4.3499 -4.3445 -3.5116 -3.5023 -0.8229 -0.8161 0.3679 0.3687 0.5338 0.5366 1.0086 1.0178 1.3144 1.3211 1.7059 1.7108 2.4045 2.4065 2.5733 2.5773 11.3455 11.3512 12.3042 12.3165 12.9184 12.9286 13.7283 13.7309 k =-0.1588 0.1700 0.2327 ( 2361 PWs) bands (ev): -18.3906 -18.3905 -15.7520 -15.7494 -15.3000 -15.2969 -15.1482 -15.1439 -7.7175 -7.7167 -4.5922 -4.5876 -4.3629 -4.3575 -3.5313 -3.5222 -0.8097 -0.8030 0.4217 0.4226 0.5192 0.5217 1.0356 1.0444 1.3110 1.3175 1.6896 1.6944 2.4159 2.4176 2.5787 2.5829 11.2958 11.3006 12.2350 12.2474 12.9416 12.9513 13.7219 13.7244 k =-0.1519 0.1626 0.2225 ( 2357 PWs) bands (ev): -18.4112 -18.4112 -15.7173 -15.7148 -15.2971 -15.2941 -15.1429 -15.1388 -7.7639 -7.7632 -4.5810 -4.5767 -4.3750 -4.3696 -3.5517 -3.5429 -0.7963 -0.7899 0.4754 0.4765 0.5041 0.5064 1.0625 1.0709 1.3083 1.3145 1.6730 1.6777 2.4268 2.4282 2.5832 2.5876 11.2434 11.2474 12.1690 12.1815 12.9674 12.9766 13.7152 13.7177 k =-0.1450 0.1553 0.2124 ( 2361 PWs) bands (ev): -18.4312 -18.4312 -15.6831 -15.6807 -15.2942 -15.2913 -15.1377 -15.1338 -7.8091 -7.8084 -4.5704 -4.5662 -4.3862 -4.3808 -3.5726 -3.5640 -0.7829 -0.7767 0.4871 0.4893 0.5312 0.5316 1.0892 1.0973 1.3061 1.3122 1.6563 1.6608 2.4371 2.4383 2.5869 2.5913 11.1885 11.1919 12.1065 12.1190 12.9957 13.0043 13.7083 13.7107 k =-0.1381 0.1479 0.2023 ( 2357 PWs) bands (ev): -18.4506 -18.4505 -15.6494 -15.6472 -15.2914 -15.2886 -15.1327 -15.1290 -7.8529 -7.8524 -4.5602 -4.5563 -4.3964 -4.3911 -3.5940 -3.5856 -0.7694 -0.7634 0.4713 0.4733 0.5852 0.5855 1.1156 1.1233 1.3045 1.3104 1.6395 1.6439 2.4469 2.4480 2.5896 2.5940 11.1317 11.1344 12.0477 12.0600 13.0261 13.0342 13.7012 13.7035 k =-0.1312 0.1405 0.1922 ( 2357 PWs) bands (ev): -18.4693 -18.4692 -15.6165 -15.6144 -15.2887 -15.2861 -15.1279 -15.1244 -7.8954 -7.8949 -4.5504 -4.5467 -4.4057 -4.4004 -3.6156 -3.6075 -0.7560 -0.7502 0.4554 0.4572 0.6389 0.6392 1.1413 1.1488 1.3034 1.3091 1.6227 1.6269 2.4563 2.4572 2.5914 2.5958 11.0734 11.0755 11.9925 12.0046 13.0585 13.0660 13.6940 13.6962 k =-0.1243 0.1331 0.1821 ( 2363 PWs) bands (ev): -18.4872 -18.4871 -15.5844 -15.5824 -15.2861 -15.2836 -15.1233 -15.1199 -7.9364 -7.9360 -4.5411 -4.5376 -4.4140 -4.4089 -3.6375 -3.6297 -0.7426 -0.7372 0.4396 0.4413 0.6919 0.6922 1.1664 1.1737 1.3028 1.3083 1.6058 1.6098 2.4654 2.4662 2.5922 2.5967 11.0140 11.0157 11.9410 11.9527 13.0925 13.0995 13.6866 13.6887 k =-0.1174 0.1257 0.1720 ( 2359 PWs) bands (ev): -18.5044 -18.5043 -15.5532 -15.5514 -15.2836 -15.2812 -15.1188 -15.1157 -7.9759 -7.9755 -4.5322 -4.5290 -4.4215 -4.4164 -3.6594 -3.6519 -0.7294 -0.7242 0.4242 0.4258 0.7440 0.7443 1.1907 1.1979 1.3026 1.3081 1.5889 1.5927 2.4741 2.4747 2.5923 2.5966 10.9542 10.9555 11.8928 11.9042 13.1279 13.1345 13.6791 13.6811 k =-0.1105 0.1183 0.1618 ( 2359 PWs) bands (ev): -18.5207 -18.5207 -15.5231 -15.5214 -15.2812 -15.2790 -15.1146 -15.1117 -8.0136 -8.0134 -4.5237 -4.5207 -4.4280 -4.4231 -3.6813 -3.6740 -0.7164 -0.7115 0.4093 0.4108 0.7949 0.7952 1.2140 1.2212 1.3028 1.3083 1.5722 1.5758 2.4824 2.4829 2.5915 2.5958 10.8946 10.8956 11.8481 11.8589 13.1645 13.1706 13.6715 13.6735 k =-0.1036 0.1109 0.1517 ( 2363 PWs) bands (ev): -18.5363 -18.5362 -15.4942 -15.4926 -15.2790 -15.2769 -15.1106 -15.1079 -8.0497 -8.0495 -4.5157 -4.5129 -4.4337 -4.4289 -3.7029 -3.6960 -0.7038 -0.6991 0.3950 0.3964 0.8443 0.8447 1.2362 1.2435 1.3034 1.3092 1.5556 1.5589 2.4903 2.4908 2.5901 2.5942 10.8358 10.8365 11.8065 11.8168 13.2019 13.2074 13.6640 13.6658 k =-0.0967 0.1035 0.1416 ( 2365 PWs) bands (ev): -18.5509 -18.5509 -15.4665 -15.4650 -15.2768 -15.2749 -15.1069 -15.1044 -8.0839 -8.0838 -4.5080 -4.5055 -4.4385 -4.4339 -3.7243 -3.7177 -0.6914 -0.6871 0.3813 0.3827 0.8921 0.8926 1.2569 1.2646 1.3046 1.3108 1.5391 1.5423 2.4978 2.4983 2.5881 2.5920 10.7782 10.7787 11.7679 11.7777 13.2397 13.2448 13.6565 13.6583 k =-0.0898 0.0961 0.1315 ( 2357 PWs) bands (ev): -18.5647 -18.5647 -15.4401 -15.4388 -15.2748 -15.2730 -15.1033 -15.1010 -8.1162 -8.1161 -4.5008 -4.4986 -4.4425 -4.4381 -3.7451 -3.7388 -0.6795 -0.6754 0.3685 0.3697 0.9380 0.9386 1.2755 1.2842 1.3066 1.3137 1.5230 1.5258 2.5050 2.5053 2.5855 2.5893 10.7224 10.7228 11.7324 11.7415 13.2776 13.2823 13.6492 13.6509 k =-0.0828 0.0887 0.1214 ( 2361 PWs) bands (ev): -18.5776 -18.5775 -15.4152 -15.4141 -15.2729 -15.2712 -15.1001 -15.0980 -8.1466 -8.1465 -4.4941 -4.4920 -4.4458 -4.4415 -3.7653 -3.7594 -0.6681 -0.6643 0.3564 0.3575 0.9819 0.9826 1.2907 1.2997 1.3117 1.3192 1.5070 1.5096 2.5117 2.5120 2.5826 2.5862 10.6689 10.6692 11.6997 11.7081 13.3151 13.3194 13.6421 13.6437 k =-0.0759 0.0813 0.1113 ( 2357 PWs) bands (ev): -18.5895 -18.5894 -15.3919 -15.3909 -15.2711 -15.2696 -15.0970 -15.0951 -8.1748 -8.1747 -4.4878 -4.4860 -4.4483 -4.4443 -3.7846 -3.7791 -0.6573 -0.6538 0.3452 0.3463 1.0235 1.0244 1.3005 1.3059 1.3251 1.3291 1.4914 1.4937 2.5180 2.5182 2.5794 2.5827 10.6182 10.6183 11.6697 11.6775 13.3520 13.3559 13.6353 13.6368 k =-0.0690 0.0739 0.1012 ( 2363 PWs) bands (ev): -18.6004 -18.6004 -15.3702 -15.3694 -15.2695 -15.2681 -15.0943 -15.0926 -8.2009 -8.2008 -4.4819 -4.4804 -4.4501 -4.4464 -3.8031 -3.7979 -0.6471 -0.6439 0.3349 0.3359 1.0628 1.0638 1.3059 1.3088 1.3406 1.3424 1.4760 1.4781 2.5237 2.5239 2.5760 2.5791 10.5705 10.5706 11.6425 11.6496 13.3877 13.3913 13.6289 13.6302 k =-0.0621 0.0665 0.0910 ( 2361 PWs) bands (ev): -18.6104 -18.6103 -15.3503 -15.3496 -15.2680 -15.2668 -15.0918 -15.0903 -8.2247 -8.2247 -4.4766 -4.4753 -4.4514 -4.4480 -3.8204 -3.8156 -0.6376 -0.6347 0.3256 0.3264 1.0997 1.1007 1.3095 1.3113 1.3551 1.3565 1.4610 1.4629 2.5290 2.5291 2.5726 2.5754 10.5263 10.5264 11.6180 11.6243 13.4219 13.4251 13.6229 13.6241 k =-0.0552 0.0591 0.0809 ( 2357 PWs) bands (ev): -18.6193 -18.6193 -15.3323 -15.3316 -15.2667 -15.2656 -15.0896 -15.0882 -8.2463 -8.2463 -4.4718 -4.4708 -4.4521 -4.4492 -3.8364 -3.8321 -0.6289 -0.6264 0.3172 0.3179 1.1340 1.1351 1.3125 1.3137 1.3684 1.3699 1.4464 1.4479 2.5338 2.5338 2.5692 2.5719 10.4860 10.4860 11.5961 11.6017 13.4540 13.4569 13.6174 13.6186 k =-0.0483 0.0518 0.0708 ( 2355 PWs) bands (ev): -18.6273 -18.6272 -15.3161 -15.3156 -15.2654 -15.2645 -15.0876 -15.0865 -8.2655 -8.2654 -4.4675 -4.4668 -4.4524 -4.4499 -3.8510 -3.8471 -0.6211 -0.6188 0.3097 0.3104 1.1657 1.1669 1.3152 1.3161 1.3803 1.3820 1.4320 1.4334 2.5379 2.5380 2.5661 2.5685 10.4497 10.4497 11.5768 11.5817 13.4836 13.4862 13.6126 13.6137 k =-0.0414 0.0444 0.0607 ( 2347 PWs) bands (ev): -18.6342 -18.6342 -15.3020 -15.3016 -15.2643 -15.2635 -15.0859 -15.0849 -8.2822 -8.2822 -4.4638 -4.4633 -4.4522 -4.4502 -3.8640 -3.8606 -0.6141 -0.6122 0.3033 0.3038 1.1949 1.1961 1.3177 1.3185 1.3902 1.3923 1.4182 1.4196 2.5414 2.5416 2.5633 2.5654 10.4177 10.4177 11.5602 11.5644 13.5102 13.5125 13.6085 13.6095 k =-0.0345 0.0370 0.0506 ( 2355 PWs) bands (ev): -18.6400 -18.6400 -15.2899 -15.2896 -15.2633 -15.2627 -15.0844 -15.0837 -8.2965 -8.2965 -4.4609 -4.4604 -4.4517 -4.4503 -3.8752 -3.8723 -0.6081 -0.6065 0.2978 0.2982 1.2216 1.2228 1.3201 1.3207 1.3952 1.3981 1.4075 1.4093 2.5441 2.5444 2.5610 2.5628 10.3903 10.3903 11.5461 11.5496 13.5332 13.5352 13.6052 13.6062 k =-0.0276 0.0296 0.0405 ( 2355 PWs) bands (ev): -18.6449 -18.6448 -15.2801 -15.2798 -15.2624 -15.2619 -15.0833 -15.0827 -8.3082 -8.3082 -4.4587 -4.4581 -4.4509 -4.4501 -3.8845 -3.8822 -0.6031 -0.6018 0.2933 0.2937 1.2459 1.2470 1.3222 1.3228 1.3867 1.3881 1.4109 1.4112 2.5462 2.5465 2.5593 2.5607 10.3676 10.3677 11.5347 11.5375 13.5520 13.5538 13.6032 13.6041 k =-0.0207 0.0222 0.0303 ( 2359 PWs) bands (ev): -18.6486 -18.6486 -15.2726 -15.2724 -15.2614 -15.2612 -15.0824 -15.0819 -8.3174 -8.3174 -4.4571 -4.4565 -4.4501 -4.4497 -3.8919 -3.8901 -0.5992 -0.5982 0.2898 0.2901 1.2679 1.2689 1.3239 1.3245 1.3734 1.3744 1.4162 1.4164 2.5474 2.5478 2.5583 2.5594 10.3498 10.3499 11.5259 11.5280 13.5659 13.5674 13.6028 13.6036 k =-0.0138 0.0148 0.0202 ( 2363 PWs) bands (ev): -18.6513 -18.6513 -15.2676 -15.2674 -15.2603 -15.2602 -15.0817 -15.0814 -8.3240 -8.3240 -4.4561 -4.4555 -4.4493 -4.4492 -3.8971 -3.8959 -0.5963 -0.5956 0.2873 0.2875 1.2876 1.2885 1.3252 1.3259 1.3594 1.3605 1.4202 1.4204 2.5480 2.5483 2.5580 2.5587 10.3371 10.3371 11.5197 11.5211 13.5746 13.5755 13.6042 13.6047 k =-0.0069 0.0074 0.0101 ( 2363 PWs) bands (ev): -18.6529 -18.6529 -15.2651 -15.2650 -15.2591 -15.2591 -15.0813 -15.0811 -8.3279 -8.3279 -4.4554 -4.4550 -4.4488 -4.4488 -3.9001 -3.8995 -0.5945 -0.5941 0.2859 0.2860 1.3048 1.3052 1.3258 1.3268 1.3458 1.3471 1.4228 1.4229 2.5482 2.5484 2.5580 2.5584 10.3294 10.3294 11.5161 11.5168 13.5787 13.5792 13.6064 13.6066 k = 0.0000 0.0000 0.0000 ( 2365 PWs) bands (ev): -18.6534 -18.6534 -15.2644 -15.2644 -15.2585 -15.2585 -15.0811 -15.0811 -8.3292 -8.3292 -4.4550 -4.4550 -4.4486 -4.4486 -3.9010 -3.9010 -0.5937 -0.5937 0.2854 0.2854 1.3142 1.3142 1.3263 1.3263 1.3387 1.3387 1.4237 1.4237 2.5483 2.5483 2.5582 2.5582 10.3268 10.3268 11.5152 11.5152 13.5800 13.5800 13.6075 13.6075 k = 0.0000 0.0000 0.0000 ( 2365 PWs) bands (ev): -18.6534 -18.6534 -15.2644 -15.2644 -15.2585 -15.2585 -15.0811 -15.0811 -8.3292 -8.3292 -4.4550 -4.4550 -4.4486 -4.4486 -3.9010 -3.9010 -0.5937 -0.5937 0.2854 0.2854 1.3142 1.3142 1.3263 1.3263 1.3387 1.3387 1.4237 1.4237 2.5483 2.5483 2.5582 2.5582 10.3268 10.3268 11.5152 11.5152 13.5800 13.5800 13.6075 13.6075 k = 0.0104 0.0097-0.0000 ( 2365 PWs) bands (ev): -18.6529 -18.6529 -15.2645 -15.2645 -15.2586 -15.2586 -15.0825 -15.0825 -8.3274 -8.3274 -4.4542 -4.4542 -4.4478 -4.4478 -3.9017 -3.9017 -0.5930 -0.5930 0.2846 0.2846 1.3133 1.3133 1.3257 1.3257 1.3379 1.3379 1.4226 1.4226 2.5481 2.5481 2.5580 2.5580 10.3292 10.3292 11.5168 11.5168 13.5788 13.5788 13.6063 13.6063 k = 0.0208 0.0195-0.0000 ( 2357 PWs) bands (ev): -18.6511 -18.6511 -15.2649 -15.2649 -15.2590 -15.2590 -15.0866 -15.0866 -8.3219 -8.3219 -4.4517 -4.4517 -4.4453 -4.4453 -3.9040 -3.9040 -0.5909 -0.5909 0.2821 0.2821 1.3107 1.3107 1.3240 1.3240 1.3356 1.3356 1.4194 1.4194 2.5476 2.5476 2.5576 2.5576 10.3366 10.3366 11.5217 11.5217 13.5753 13.5753 13.6027 13.6027 k = 0.0312 0.0292-0.0000 ( 2369 PWs) bands (ev): -18.6482 -18.6482 -15.2654 -15.2654 -15.2595 -15.2595 -15.0936 -15.0936 -8.3127 -8.3127 -4.4476 -4.4476 -4.4412 -4.4412 -3.9077 -3.9077 -0.5873 -0.5873 0.2780 0.2780 1.3063 1.3063 1.3209 1.3209 1.3318 1.3318 1.4144 1.4144 2.5467 2.5467 2.5568 2.5568 10.3488 10.3488 11.5297 11.5297 13.5696 13.5696 13.5968 13.5968 k = 0.0417 0.0389-0.0000 ( 2377 PWs) bands (ev): -18.6441 -18.6441 -15.2662 -15.2662 -15.2602 -15.2602 -15.1033 -15.1033 -8.2998 -8.2998 -4.4419 -4.4419 -4.4354 -4.4354 -3.9129 -3.9129 -0.5824 -0.5824 0.2723 0.2723 1.3001 1.3001 1.3160 1.3160 1.3264 1.3264 1.4081 1.4081 2.5455 2.5455 2.5557 2.5557 10.3659 10.3659 11.5410 11.5410 13.5616 13.5616 13.5886 13.5886 k = 0.0521 0.0486-0.0000 ( 2377 PWs) bands (ev): -18.6388 -18.6388 -15.2671 -15.2671 -15.2612 -15.2612 -15.1157 -15.1157 -8.2834 -8.2834 -4.4345 -4.4345 -4.4280 -4.4280 -3.9197 -3.9197 -0.5760 -0.5760 0.2650 0.2650 1.2919 1.2919 1.3090 1.3090 1.3194 1.3194 1.4010 1.4010 2.5441 2.5441 2.5544 2.5544 10.3877 10.3877 11.5554 11.5554 13.5515 13.5515 13.5783 13.5783 k = 0.0625 0.0584-0.0000 ( 2373 PWs) bands (ev): -18.6324 -18.6324 -15.2683 -15.2683 -15.2624 -15.2624 -15.1307 -15.1307 -8.2634 -8.2634 -4.4255 -4.4255 -4.4190 -4.4190 -3.9279 -3.9279 -0.5682 -0.5682 0.2562 0.2562 1.2813 1.2813 1.2995 1.2995 1.3109 1.3109 1.3939 1.3939 2.5424 2.5424 2.5529 2.5529 10.4141 10.4141 11.5729 11.5729 13.5394 13.5394 13.5659 13.5659 k = 0.0729 0.0681-0.0000 ( 2373 PWs) bands (ev): -18.6248 -18.6248 -15.2697 -15.2697 -15.2637 -15.2637 -15.1483 -15.1483 -8.2400 -8.2400 -4.4150 -4.4150 -4.4085 -4.4085 -3.9376 -3.9376 -0.5590 -0.5590 0.2459 0.2459 1.2678 1.2678 1.2876 1.2876 1.3007 1.3007 1.3873 1.3873 2.5406 2.5406 2.5513 2.5513 10.4452 10.4452 11.5934 11.5934 13.5254 13.5254 13.5517 13.5517 k = 0.0833 0.0778-0.0000 ( 2373 PWs) bands (ev): -18.6161 -18.6161 -15.2712 -15.2712 -15.2653 -15.2653 -15.1684 -15.1684 -8.2132 -8.2132 -4.4029 -4.4029 -4.3963 -4.3963 -3.9488 -3.9488 -0.5485 -0.5485 0.2341 0.2341 1.2505 1.2505 1.2739 1.2739 1.2889 1.2889 1.3816 1.3816 2.5387 2.5387 2.5496 2.5496 10.4807 10.4807 11.6168 11.6168 13.5098 13.5098 13.5357 13.5357 k = 0.0938 0.0876-0.0000 ( 2373 PWs) bands (ev): -18.6062 -18.6062 -15.2730 -15.2730 -15.2670 -15.2670 -15.1908 -15.1908 -8.1830 -8.1830 -4.3893 -4.3893 -4.3826 -4.3826 -3.9614 -3.9614 -0.5366 -0.5366 0.2209 0.2209 1.2290 1.2290 1.2590 1.2590 1.2755 1.2755 1.3767 1.3767 2.5367 2.5367 2.5478 2.5478 10.5205 10.5205 11.6430 11.6430 13.4925 13.4925 13.5181 13.5181 k = 0.1042 0.0973-0.0000 ( 2373 PWs) bands (ev): -18.5952 -18.5952 -15.2750 -15.2750 -15.2689 -15.2689 -15.2156 -15.2156 -8.1497 -8.1497 -4.3742 -4.3742 -4.3675 -4.3675 -3.9756 -3.9756 -0.5234 -0.5234 0.2063 0.2063 1.2036 1.2036 1.2428 1.2428 1.2603 1.2603 1.3724 1.3724 2.5348 2.5348 2.5461 2.5461 10.5645 10.5645 11.6719 11.6719 13.4739 13.4739 13.4990 13.4990 k = 0.1146 0.1070-0.0000 ( 2365 PWs) bands (ev): -18.5831 -18.5831 -15.2772 -15.2772 -15.2710 -15.2710 -15.2425 -15.2425 -8.1132 -8.1132 -4.3576 -4.3576 -4.3508 -4.3508 -3.9912 -3.9912 -0.5088 -0.5088 0.1905 0.1905 1.1746 1.1746 1.2253 1.2253 1.2435 1.2435 1.3686 1.3686 2.5330 2.5330 2.5445 2.5445 10.6125 10.6125 11.7034 11.7034 13.4540 13.4540 13.4788 13.4788 k = 0.1250 0.1167-0.0000 ( 2365 PWs) bands (ev): -18.5699 -18.5699 -15.2808 -15.2808 -15.2732 -15.2732 -15.2705 -15.2705 -8.0737 -8.0737 -4.3396 -4.3396 -4.3328 -4.3328 -4.0083 -4.0083 -0.4929 -0.4929 0.1735 0.1735 1.1425 1.1425 1.2063 1.2063 1.2249 1.2249 1.3650 1.3650 2.5314 2.5314 2.5431 2.5431 10.6643 10.6643 11.7372 11.7372 13.4331 13.4331 13.4574 13.4574 k = 0.1354 0.1265-0.0000 ( 2365 PWs) bands (ev): -18.5556 -18.5556 -15.3041 -15.3041 -15.2808 -15.2808 -15.2756 -15.2756 -8.0314 -8.0314 -4.3203 -4.3203 -4.3134 -4.3133 -4.0269 -4.0269 -0.4758 -0.4758 0.1553 0.1553 1.1078 1.1078 1.1858 1.1858 1.2046 1.2046 1.3614 1.3614 2.5301 2.5301 2.5418 2.5418 10.7199 10.7199 11.7734 11.7734 13.4112 13.4112 13.4352 13.4352 k = 0.1458 0.1362-0.0000 ( 2366 PWs) bands (ev): -18.5402 -18.5402 -15.3369 -15.3369 -15.2837 -15.2837 -15.2781 -15.2781 -7.9862 -7.9862 -4.2997 -4.2997 -4.2926 -4.2926 -4.0469 -4.0469 -0.4574 -0.4574 0.1361 0.1361 1.0707 1.0707 1.1638 1.1638 1.1826 1.1826 1.3576 1.3576 2.5290 2.5290 2.5409 2.5409 10.7789 10.7789 11.8117 11.8117 13.3887 13.3887 13.4121 13.4121 k = 0.1562 0.1459-0.0000 ( 2338 PWs) bands (ev): -18.5237 -18.5237 -15.3717 -15.3717 -15.2864 -15.2864 -15.2808 -15.2808 -7.9384 -7.9384 -4.2777 -4.2777 -4.2706 -4.2706 -4.0684 -4.0684 -0.4378 -0.4378 0.1160 0.1160 1.0317 1.0317 1.1402 1.1402 1.1590 1.1590 1.3537 1.3537 2.5284 2.5284 2.5403 2.5403 10.8412 10.8412 11.8520 11.8520 13.3655 13.3655 13.3886 13.3886 k = 0.1667 0.1556-0.0000 ( 2346 PWs) bands (ev): -18.5062 -18.5062 -15.4082 -15.4082 -15.2892 -15.2892 -15.2836 -15.2836 -7.8880 -7.8880 -4.2547 -4.2547 -4.2474 -4.2474 -4.0913 -4.0913 -0.4170 -0.4170 0.0950 0.0950 0.9909 0.9909 1.1150 1.1150 1.1337 1.1337 1.3493 1.3493 2.5281 2.5281 2.5400 2.5400 10.9066 10.9066 11.8940 11.8940 13.3419 13.3419 13.3645 13.3645 k = 0.1771 0.1654-0.0000 ( 2346 PWs) bands (ev): -18.4877 -18.4877 -15.4464 -15.4464 -15.2921 -15.2921 -15.2864 -15.2864 -7.8353 -7.8353 -4.2305 -4.2305 -4.2230 -4.2230 -4.1157 -4.1157 -0.3951 -0.3951 0.0733 0.0733 0.9487 0.9487 1.0883 1.0883 1.1067 1.1068 1.3444 1.3444 2.5282 2.5282 2.5402 2.5402 10.9748 10.9748 11.9376 11.9376 13.3179 13.3179 13.3401 13.3401 k = 0.1875 0.1751-0.0000 ( 2346 PWs) bands (ev): -18.4682 -18.4682 -15.4859 -15.4859 -15.2951 -15.2951 -15.2894 -15.2894 -7.7802 -7.7802 -4.2053 -4.2053 -4.1976 -4.1976 -4.1415 -4.1415 -0.3721 -0.3721 0.0509 0.0509 0.9052 0.9052 1.0601 1.0602 1.0783 1.0783 1.3390 1.3390 2.5288 2.5288 2.5407 2.5407 11.0458 11.0458 11.9826 11.9826 13.2938 13.2938 13.3155 13.3155 k = 0.1979 0.1848-0.0000 ( 2346 PWs) bands (ev): -18.4477 -18.4477 -15.5268 -15.5268 -15.2982 -15.2982 -15.2924 -15.2924 -7.7230 -7.7230 -4.1807 -4.1807 -4.1714 -4.1714 -4.1670 -4.1670 -0.3480 -0.3480 0.0279 0.0279 0.8609 0.8609 1.0306 1.0306 1.0484 1.0484 1.3330 1.3330 2.5299 2.5299 2.5417 2.5417 11.1191 11.1191 12.0288 12.0288 13.2696 13.2696 13.2909 13.2909 k = 0.2083 0.1946-0.0000 ( 2354 PWs) bands (ev): -18.4263 -18.4263 -15.5688 -15.5688 -15.3013 -15.3013 -15.2955 -15.2955 -7.6638 -7.6638 -4.1987 -4.1987 -4.1510 -4.1510 -4.1438 -4.1438 -0.3230 -0.3230 0.0046 0.0046 0.8158 0.8158 0.9996 0.9996 1.0171 1.0171 1.3263 1.3263 2.5314 2.5314 2.5431 2.5431 11.1947 11.1947 12.0760 12.0760 13.2454 13.2454 13.2662 13.2662 k = 0.2188 0.2043-0.0000 ( 2354 PWs) bands (ev): -18.4039 -18.4039 -15.6119 -15.6119 -15.3044 -15.3044 -15.2987 -15.2987 -7.6026 -7.6026 -4.2288 -4.2288 -4.1232 -4.1232 -4.1156 -4.1156 -0.2972 -0.2972 -0.0190 -0.0190 0.7702 0.7702 0.9675 0.9675 0.9845 0.9845 1.3188 1.3188 2.5335 2.5335 2.5450 2.5450 11.2722 11.2722 12.1240 12.1240 13.2213 13.2213 13.2418 13.2418 k = 0.2292 0.2140-0.0000 ( 2342 PWs) bands (ev): -18.3807 -18.3807 -15.6559 -15.6559 -15.3076 -15.3076 -15.3019 -15.3019 -7.5397 -7.5397 -4.2606 -4.2606 -4.0945 -4.0945 -4.0867 -4.0867 -0.2706 -0.2706 -0.0427 -0.0427 0.7244 0.7244 0.9342 0.9342 0.9508 0.9508 1.3105 1.3105 2.5360 2.5360 2.5474 2.5474 11.3515 11.3515 12.1727 12.1727 13.1975 13.1975 13.2176 13.2176 k = 0.2396 0.2237-0.0000 ( 2342 PWs) bands (ev): -18.3566 -18.3566 -15.7007 -15.7007 -15.3108 -15.3108 -15.3051 -15.3051 -7.4751 -7.4751 -4.2940 -4.2940 -4.0651 -4.0651 -4.0571 -4.0571 -0.2435 -0.2435 -0.0661 -0.0661 0.6786 0.6786 0.8999 0.8999 0.9161 0.9161 1.3013 1.3013 2.5389 2.5389 2.5501 2.5501 11.4322 11.4322 12.2216 12.2216 13.1741 13.1741 13.1937 13.1937 k = 0.2500 0.2335-0.0000 ( 2342 PWs) bands (ev): -18.3318 -18.3318 -15.7462 -15.7462 -15.3140 -15.3140 -15.3083 -15.3083 -7.4089 -7.4089 -4.3289 -4.3289 -4.0352 -4.0352 -4.0270 -4.0270 -0.2167 -0.2167 -0.0885 -0.0885 0.6330 0.6330 0.8648 0.8648 0.8804 0.8805 1.2911 1.2911 2.5423 2.5423 2.5532 2.5532 11.5141 11.5141 12.2708 12.2708 13.1510 13.1510 13.1702 13.1702 k = 0.2604 0.2432-0.0000 ( 2334 PWs) bands (ev): -18.3061 -18.3061 -15.7922 -15.7922 -15.3173 -15.3173 -15.3115 -15.3115 -7.3414 -7.3414 -4.3653 -4.3653 -4.0048 -4.0048 -3.9965 -3.9965 -0.1920 -0.1920 -0.1080 -0.1080 0.5878 0.5878 0.8289 0.8290 0.8441 0.8441 1.2801 1.2801 2.5460 2.5460 2.5567 2.5567 11.5970 11.5970 12.3199 12.3199 13.1284 13.1284 13.1472 13.1472 k = 0.2708 0.2529-0.0000 ( 2334 PWs) bands (ev): -18.2798 -18.2798 -15.8386 -15.8386 -15.3205 -15.3205 -15.3147 -15.3147 -7.2726 -7.2726 -4.4033 -4.4033 -3.9741 -3.9741 -3.9656 -3.9656 -0.1771 -0.1771 -0.1168 -0.1168 0.5432 0.5432 0.7925 0.7926 0.8072 0.8072 1.2680 1.2680 2.5501 2.5501 2.5605 2.5605 11.6805 11.6805 12.3687 12.3687 13.1063 13.1063 13.1248 13.1248 k = 0.2812 0.2627-0.0000 ( 2334 PWs) bands (ev): -18.2529 -18.2529 -15.8853 -15.8853 -15.3236 -15.3236 -15.3179 -15.3179 -7.2026 -7.2026 -4.4428 -4.4428 -3.9433 -3.9433 -3.9346 -3.9346 -0.1834 -0.1834 -0.1037 -0.1037 0.4995 0.4995 0.7558 0.7558 0.7699 0.7699 1.2549 1.2549 2.5545 2.5545 2.5646 2.5646 11.7644 11.7644 12.4171 12.4171 13.0849 13.0849 13.1030 13.1030 k = 0.2917 0.2724-0.0000 ( 2326 PWs) bands (ev): -18.2253 -18.2253 -15.9320 -15.9320 -15.3267 -15.3267 -15.3210 -15.3210 -7.1315 -7.1315 -4.4838 -4.4838 -3.9123 -3.9123 -3.9034 -3.9034 -0.2016 -0.2016 -0.0779 -0.0779 0.4569 0.4569 0.7187 0.7187 0.7323 0.7323 1.2407 1.2407 2.5591 2.5591 2.5689 2.5690 11.8482 11.8482 12.4649 12.4649 13.0641 13.0641 13.0818 13.0818 k = 0.3021 0.2821-0.0000 ( 2326 PWs) bands (ev): -18.1973 -18.1973 -15.9788 -15.9788 -15.3298 -15.3298 -15.3241 -15.3241 -7.0596 -7.0596 -4.5264 -4.5264 -3.8814 -3.8814 -3.8724 -3.8724 -0.2228 -0.2228 -0.0484 -0.0484 0.4157 0.4157 0.6817 0.6817 0.6947 0.6948 1.2255 1.2255 2.5640 2.5640 2.5735 2.5735 11.9318 11.9318 12.5117 12.5117 13.0440 13.0440 13.0613 13.0613 k = 0.3125 0.2918-0.0000 ( 2330 PWs) bands (ev): -18.1688 -18.1688 -16.0254 -16.0254 -15.3328 -15.3328 -15.3271 -15.3271 -6.9868 -6.9868 -4.5705 -4.5705 -3.8508 -3.8508 -3.8415 -3.8415 -0.2447 -0.2447 -0.0175 -0.0175 0.3761 0.3761 0.6448 0.6448 0.6573 0.6573 1.2092 1.2092 2.5690 2.5690 2.5781 2.5781 12.0146 12.0146 12.5576 12.5576 13.0247 13.0247 13.0416 13.0416 k = 0.3229 0.3016-0.0000 ( 2326 PWs) bands (ev): -18.1400 -18.1400 -16.0717 -16.0717 -15.3357 -15.3357 -15.3300 -15.3300 -6.9133 -6.9133 -4.6162 -4.6162 -3.8204 -3.8204 -3.8110 -3.8110 -0.2666 -0.2666 0.0138 0.0138 0.3387 0.3387 0.6083 0.6083 0.6203 0.6203 1.1918 1.1918 2.5741 2.5741 2.5829 2.5829 12.0965 12.0965 12.6023 12.6023 13.0062 13.0062 13.0228 13.0228 k = 0.3333 0.3113-0.0000 ( 2334 PWs) bands (ev): -18.1110 -18.1110 -16.1175 -16.1175 -15.3385 -15.3385 -15.3328 -15.3328 -6.8393 -6.8393 -4.6635 -4.6635 -3.7906 -3.7906 -3.7810 -3.7810 -0.2880 -0.2880 0.0445 0.0445 0.3039 0.3039 0.5723 0.5723 0.5838 0.5838 1.1734 1.1734 2.5792 2.5792 2.5877 2.5877 12.1769 12.1769 12.6455 12.6455 12.9885 12.9885 13.0048 13.0048 k = 0.3438 0.3210-0.0000 ( 2334 PWs) bands (ev): -18.0820 -18.0820 -16.1626 -16.1626 -15.3412 -15.3412 -15.3355 -15.3355 -6.7648 -6.7648 -4.7122 -4.7122 -3.7615 -3.7615 -3.7516 -3.7516 -0.3088 -0.3088 0.0734 0.0734 0.2731 0.2731 0.5371 0.5371 0.5480 0.5481 1.1540 1.1540 2.5844 2.5844 2.5925 2.5925 12.2555 12.2555 12.6872 12.6872 12.9718 12.9718 12.9876 12.9876 k = 0.3542 0.3307-0.0000 ( 2326 PWs) bands (ev): -18.0529 -18.0529 -16.2069 -16.2069 -15.3438 -15.3438 -15.3381 -15.3381 -6.6899 -6.6899 -4.7624 -4.7624 -3.7331 -3.7331 -3.7231 -3.7231 -0.3288 -0.3288 0.0979 0.0979 0.2489 0.2489 0.5028 0.5028 0.5133 0.5133 1.1336 1.1336 2.5895 2.5895 2.5972 2.5972 12.3319 12.3319 12.7272 12.7272 12.9560 12.9560 12.9715 12.9715 k = 0.3646 0.3405-0.0000 ( 2322 PWs) bands (ev): -18.0241 -18.0241 -16.2502 -16.2502 -15.3463 -15.3463 -15.3405 -15.3405 -6.6149 -6.6149 -4.8142 -4.8142 -3.7057 -3.7057 -3.6955 -3.6955 -0.3480 -0.3480 0.1125 0.1125 0.2368 0.2368 0.4698 0.4698 0.4798 0.4798 1.1123 1.1123 2.5945 2.5945 2.6019 2.6019 12.4055 12.4055 12.7653 12.7653 12.9412 12.9412 12.9563 12.9563 k = 0.3750 0.3502-0.0000 ( 2338 PWs) bands (ev): -17.9956 -17.9956 -16.2921 -16.2921 -15.3486 -15.3486 -15.3428 -15.3428 -6.5397 -6.5397 -4.8674 -4.8674 -3.6795 -3.6795 -3.6691 -3.6691 -0.3662 -0.3662 0.1114 0.1114 0.2424 0.2424 0.4381 0.4381 0.4476 0.4476 1.0901 1.0901 2.5993 2.5993 2.6063 2.6063 12.4760 12.4760 12.8013 12.8013 12.9275 12.9275 12.9420 12.9420 k = 0.3854 0.3599-0.0000 ( 2338 PWs) bands (ev): -17.9677 -17.9677 -16.3325 -16.3325 -15.3507 -15.3507 -15.3450 -15.3450 -6.4646 -6.4646 -4.9220 -4.9220 -3.6546 -3.6546 -3.6440 -3.6440 -0.3833 -0.3833 0.0980 0.0980 0.2623 0.2623 0.4080 0.4080 0.4171 0.4171 1.0671 1.0671 2.6040 2.6040 2.6106 2.6107 12.5429 12.5429 12.8351 12.8351 12.9150 12.9150 12.9288 12.9288 k = 0.3958 0.3697-0.0000 ( 2346 PWs) bands (ev): -17.9406 -17.9406 -16.3712 -16.3712 -15.3528 -15.3528 -15.3470 -15.3470 -6.3897 -6.3897 -4.9779 -4.9779 -3.6311 -3.6311 -3.6204 -3.6204 -0.3992 -0.3992 0.0795 0.0795 0.2894 0.2894 0.3796 0.3796 0.3884 0.3884 1.0435 1.0435 2.6084 2.6084 2.6147 2.6147 12.6056 12.6056 12.8657 12.8657 12.9045 12.9045 12.9168 12.9168 k = 0.4062 0.3794-0.0000 ( 2342 PWs) bands (ev): -17.9147 -17.9147 -16.4077 -16.4077 -15.3546 -15.3546 -15.3489 -15.3489 -6.3151 -6.3151 -5.0350 -5.0350 -3.6093 -3.6093 -3.5984 -3.5984 -0.4139 -0.4139 0.0599 0.0599 0.3193 0.3193 0.3534 0.3534 0.3617 0.3617 1.0194 1.0194 2.6125 2.6125 2.6185 2.6185 12.6636 12.6636 12.8845 12.8845 12.9031 12.9031 12.9072 12.9072 k = 0.4167 0.3891-0.0000 ( 2350 PWs) bands (ev): -17.8900 -17.8900 -16.4419 -16.4419 -15.3563 -15.3563 -15.3505 -15.3505 -6.2410 -6.2410 -5.0934 -5.0934 -3.5893 -3.5893 -3.5782 -3.5782 -0.4272 -0.4272 0.0410 0.0410 0.3290 0.3290 0.3367 0.3367 0.3509 0.3509 0.9950 0.9950 2.6163 2.6163 2.6220 2.6220 12.7165 12.7165 12.8797 12.8797 12.8954 12.8954 12.9274 12.9274 k = 0.4271 0.3988-0.0000 ( 2358 PWs) bands (ev): -17.8671 -17.8671 -16.4733 -16.4733 -15.3578 -15.3578 -15.3520 -15.3520 -6.1677 -6.1677 -5.1526 -5.1526 -3.5713 -3.5713 -3.5600 -3.5600 -0.4392 -0.4392 0.0236 0.0236 0.3073 0.3073 0.3149 0.3149 0.3813 0.3813 0.9706 0.9706 2.6197 2.6197 2.6251 2.6251 12.7638 12.7638 12.8721 12.8721 12.8867 12.8867 12.9513 12.9513 k = 0.4375 0.4086-0.0000 ( 2350 PWs) bands (ev): -17.8462 -17.8462 -16.5016 -16.5016 -15.3591 -15.3591 -15.3533 -15.3533 -6.0955 -6.0955 -5.2126 -5.2126 -3.5553 -3.5553 -3.5439 -3.5439 -0.4497 -0.4497 0.0081 0.0081 0.2881 0.2881 0.2954 0.2954 0.4113 0.4113 0.9466 0.9466 2.6228 2.6228 2.6279 2.6279 12.8047 12.8047 12.8656 12.8656 12.8790 12.8790 12.9733 12.9733 k = 0.4479 0.4183-0.0000 ( 2350 PWs) bands (ev): -17.8277 -17.8277 -16.5264 -16.5264 -15.3602 -15.3602 -15.3544 -15.3544 -6.0248 -6.0248 -5.2728 -5.2728 -3.5415 -3.5415 -3.5300 -3.5300 -0.4587 -0.4587 -0.0052 -0.0052 0.2715 0.2715 0.2786 0.2786 0.4396 0.4396 0.9234 0.9234 2.6254 2.6254 2.6303 2.6303 12.8372 12.8372 12.8622 12.8622 12.8725 12.8725 12.9927 12.9927 k = 0.4583 0.4280-0.0000 ( 2350 PWs) bands (ev): -17.8119 -17.8119 -16.5474 -16.5474 -15.3611 -15.3611 -15.3554 -15.3554 -5.9564 -5.9564 -5.3326 -5.3326 -3.5301 -3.5301 -3.5185 -3.5185 -0.4661 -0.4661 -0.0162 -0.0162 0.2578 0.2578 0.2647 0.2647 0.4655 0.4655 0.9019 0.9019 2.6276 2.6276 2.6323 2.6323 12.8485 12.8485 12.8669 12.8669 12.8748 12.8748 13.0092 13.0092 k = 0.4688 0.4378-0.0000 ( 2350 PWs) bands (ev): -17.7992 -17.7992 -16.5641 -16.5641 -15.3618 -15.3618 -15.3561 -15.3561 -5.8917 -5.8917 -5.3906 -5.3906 -3.5211 -3.5211 -3.5094 -3.5094 -0.4719 -0.4719 -0.0248 -0.0248 0.2470 0.2470 0.2537 0.2537 0.4880 0.4880 0.8830 0.8830 2.6294 2.6294 2.6339 2.6339 12.8466 12.8466 12.8629 12.8629 12.8949 12.8949 13.0226 13.0226 k = 0.4792 0.4475-0.0000 ( 2350 PWs) bands (ev): -17.7898 -17.7898 -16.5763 -16.5763 -15.3623 -15.3623 -15.3566 -15.3566 -5.8337 -5.8337 -5.4437 -5.4437 -3.5146 -3.5146 -3.5029 -3.5029 -0.4761 -0.4761 -0.0310 -0.0310 0.2392 0.2392 0.2458 0.2458 0.5056 0.5056 0.8678 0.8678 2.6306 2.6306 2.6350 2.6350 12.8443 12.8443 12.8599 12.8599 12.9102 12.9102 13.0325 13.0325 k = 0.4896 0.4572-0.0000 ( 2354 PWs) bands (ev): -17.7841 -17.7841 -16.5837 -16.5837 -15.3626 -15.3626 -15.3569 -15.3569 -5.7894 -5.7894 -5.4851 -5.4851 -3.5107 -3.5107 -3.4990 -3.4990 -0.4786 -0.4786 -0.0348 -0.0348 0.2345 0.2345 0.2411 0.2411 0.5170 0.5170 0.8580 0.8580 2.6314 2.6314 2.6357 2.6357 12.8428 12.8428 12.8581 12.8581 12.9194 12.9194 13.0386 13.0386 k = 0.5000 0.4669-0.0000 ( 2354 PWs) bands (ev): -17.7822 -17.7822 -16.5862 -16.5862 -15.3627 -15.3627 -15.3570 -15.3570 -5.7716 -5.7716 -5.5020 -5.5020 -3.5094 -3.5094 -3.4977 -3.4977 -0.4795 -0.4795 -0.0360 -0.0360 0.2329 0.2329 0.2395 0.2395 0.5209 0.5209 0.8545 0.8545 2.6316 2.6316 2.6359 2.6359 12.8422 12.8422 12.8575 12.8575 12.9225 12.9225 13.0407 13.0407 k = 0.5000 0.4669-0.0000 ( 2354 PWs) bands (ev): -17.7822 -17.7822 -16.5862 -16.5862 -15.3627 -15.3627 -15.3570 -15.3570 -5.7716 -5.7716 -5.5020 -5.5020 -3.5094 -3.5094 -3.4977 -3.4977 -0.4795 -0.4795 -0.0360 -0.0360 0.2329 0.2329 0.2395 0.2395 0.5209 0.5209 0.8545 0.8545 2.6316 2.6316 2.6359 2.6359 12.8422 12.8422 12.8575 12.8575 12.9225 12.9225 13.0407 13.0407 k = 0.4933 0.4741 0.0098 ( 2354 PWs) bands (ev): -17.7822 -17.7822 -16.5864 -16.5862 -15.3629 -15.3625 -15.3570 -15.3570 -5.7718 -5.7716 -5.5025 -5.5019 -3.5097 -3.5093 -3.4979 -3.4975 -0.4818 -0.4803 -0.0432 -0.0400 0.2311 0.2325 0.2444 0.2472 0.5231 0.5239 0.8559 0.8563 2.6310 2.6314 2.6353 2.6357 12.8359 12.8424 12.8535 12.8550 12.9237 12.9295 13.0431 13.0439 k = 0.4866 0.4813 0.0197 ( 2358 PWs) bands (ev): -17.7821 -17.7821 -16.5867 -16.5862 -15.3630 -15.3623 -15.3569 -15.3569 -5.7722 -5.7719 -5.5036 -5.5024 -3.5105 -3.5098 -3.4981 -3.4970 -0.4874 -0.4844 -0.0590 -0.0531 0.2213 0.2228 0.2675 0.2712 0.5299 0.5314 0.8604 0.8613 2.6292 2.6302 2.6340 2.6347 12.8244 12.8359 12.8449 12.8486 12.9321 12.9413 13.0511 13.0525 k = 0.4799 0.4885 0.0295 ( 2360 PWs) bands (ev): -17.7819 -17.7819 -16.5870 -16.5862 -15.3632 -15.3621 -15.3568 -15.3566 -5.7731 -5.7727 -5.5049 -5.5031 -3.5124 -3.5117 -3.4975 -3.4956 -0.4964 -0.4919 -0.0788 -0.0709 0.2054 0.2073 0.3022 0.3064 0.5403 0.5424 0.8681 0.8694 2.6262 2.6277 2.6323 2.6332 12.8099 12.8230 12.8353 12.8396 12.9441 12.9545 13.0647 13.0662 k = 0.4731 0.4957 0.0393 ( 2360 PWs) bands (ev): -17.7817 -17.7817 -16.5873 -16.5863 -15.3634 -15.3620 -15.3564 -15.3561 -5.7749 -5.7744 -5.5061 -5.5037 -3.5160 -3.5152 -3.4957 -3.4928 -0.5090 -0.5032 -0.0987 -0.0894 0.1853 0.1874 0.3443 0.3486 0.5531 0.5556 0.8790 0.8806 2.6218 2.6237 2.6304 2.6314 12.7942 12.8074 12.8236 12.8282 12.9574 12.9680 13.0831 13.0845 k = 0.4664 0.5029 0.0492 ( 2359 PWs) bands (ev): -17.7815 -17.7814 -16.5877 -16.5865 -15.3637 -15.3620 -15.3559 -15.3553 -5.7780 -5.7774 -5.5066 -5.5037 -3.5212 -3.5204 -3.4925 -3.4888 -0.5252 -0.5184 -0.1162 -0.1060 0.1622 0.1645 0.3909 0.3953 0.5673 0.5700 0.8929 0.8949 2.6159 2.6182 2.6281 2.6292 12.7778 12.7910 12.8093 12.8147 12.9715 12.9817 13.1057 13.1069 k = 0.4597 0.5101 0.0590 ( 2363 PWs) bands (ev): -17.7813 -17.7812 -16.5881 -16.5866 -15.3642 -15.3623 -15.3551 -15.3542 -5.7831 -5.7823 -5.5060 -5.5026 -3.5280 -3.5270 -3.4883 -3.4838 -0.5450 -0.5374 -0.1300 -0.1191 0.1370 0.1395 0.4402 0.4446 0.5823 0.5852 0.9098 0.9121 2.6087 2.6114 2.6256 2.6267 12.7607 12.7738 12.7930 12.7997 12.9863 12.9960 13.1314 13.1325 k = 0.4530 0.5173 0.0689 ( 2355 PWs) bands (ev): -17.7811 -17.7811 -16.5883 -16.5866 -15.3649 -15.3627 -15.3539 -15.3529 -5.7906 -5.7896 -5.5035 -5.4997 -3.5361 -3.5350 -3.4832 -3.4780 -0.5680 -0.5599 -0.1393 -0.1281 0.1106 0.1131 0.4904 0.4948 0.5986 0.6013 0.9295 0.9320 2.6001 2.6032 2.6226 2.6238 12.7424 12.7551 12.7760 12.7843 13.0021 13.0112 13.1596 13.1608 k = 0.4463 0.5244 0.0787 ( 2343 PWs) bands (ev): -17.7811 -17.7810 -16.5885 -16.5866 -15.3656 -15.3632 -15.3525 -15.3512 -5.8010 -5.7998 -5.4988 -5.4946 -3.5454 -3.5442 -3.4773 -3.4714 -0.5938 -0.5854 -0.1442 -0.1329 0.0835 0.0860 0.5383 0.5430 0.6183 0.6205 0.9515 0.9542 2.5902 2.5937 2.6193 2.6206 12.7218 12.7335 12.7601 12.7696 13.0191 13.0276 13.1897 13.1913 k = 0.4396 0.5316 0.0885 ( 2347 PWs) bands (ev): -17.7812 -17.7812 -16.5884 -16.5863 -15.3664 -15.3638 -15.3509 -15.3492 -5.8148 -5.8134 -5.4913 -5.4869 -3.5560 -3.5547 -3.4707 -3.4642 -0.6216 -0.6132 -0.1449 -0.1337 0.0560 0.0586 0.5773 0.5828 0.6469 0.6489 0.9757 0.9785 2.5789 2.5828 2.6156 2.6170 12.6982 12.7087 12.7464 12.7565 13.0373 13.0454 13.2214 13.2232 k = 0.4329 0.5388 0.0984 ( 2339 PWs) bands (ev): -17.7816 -17.7816 -16.5881 -16.5858 -15.3673 -15.3645 -15.3489 -15.3471 -5.8321 -5.8304 -5.4811 -5.4764 -3.5677 -3.5663 -3.4636 -3.4565 -0.6509 -0.6425 -0.1419 -0.1310 0.0285 0.0311 0.6024 0.6084 0.6893 0.6919 1.0016 1.0046 2.5663 2.5706 2.6116 2.6130 12.6715 12.6809 12.7349 12.7451 13.0571 13.0647 13.2543 13.2564 k = 0.4262 0.5460 0.1082 ( 2339 PWs) bands (ev): -17.7823 -17.7823 -16.5875 -16.5850 -15.3681 -15.3652 -15.3468 -15.3447 -5.8528 -5.8509 -5.4680 -5.4631 -3.5805 -3.5790 -3.4560 -3.4483 -0.6809 -0.6727 -0.1356 -0.1250 0.0012 0.0038 0.6186 0.6248 0.7409 0.7437 1.0289 1.0320 2.5524 2.5571 2.6072 2.6087 12.6421 12.6507 12.7252 12.7354 13.0783 13.0855 13.2881 13.2904 k = 0.4194 0.5532 0.1180 ( 2339 PWs) bands (ev): -17.7834 -17.7833 -16.5864 -16.5837 -15.3690 -15.3659 -15.3444 -15.3420 -5.8769 -5.8747 -5.4522 -5.4471 -3.5944 -3.5927 -3.4480 -3.4398 -0.7111 -0.7031 -0.1266 -0.1162 -0.0255 -0.0230 0.6309 0.6373 0.7961 0.7989 1.0574 1.0606 2.5371 2.5422 2.6025 2.6041 12.6104 12.6184 12.7171 12.7273 13.1010 13.1079 13.3226 13.3251 k = 0.4127 0.5604 0.1279 ( 2337 PWs) bands (ev): -17.7849 -17.7848 -16.5848 -16.5820 -15.3698 -15.3665 -15.3417 -15.3392 -5.9040 -5.9016 -5.4340 -5.4288 -3.6093 -3.6075 -3.4397 -3.4311 -0.7411 -0.7332 -0.1152 -0.1050 -0.0514 -0.0491 0.6415 0.6480 0.8528 0.8554 1.0867 1.0901 2.5206 2.5261 2.5975 2.5992 12.5769 12.5846 12.7105 12.7206 13.1252 13.1319 13.3575 13.3600 k = 0.4060 0.5676 0.1377 ( 2337 PWs) bands (ev): -17.7870 -17.7869 -16.5827 -16.5796 -15.3706 -15.3671 -15.3389 -15.3361 -5.9340 -5.9314 -5.4137 -5.4083 -3.6252 -3.6232 -3.4313 -3.4222 -0.7703 -0.7626 -0.1027 -0.0918 -0.0761 -0.0736 0.6510 0.6577 0.9099 0.9121 1.1167 1.1204 2.5028 2.5086 2.5923 2.5941 12.5419 12.5494 12.7051 12.7152 13.1509 13.1574 13.3925 13.3951 k = 0.3993 0.5748 0.1475 ( 2329 PWs) bands (ev): -17.7897 -17.7896 -16.5798 -16.5766 -15.3712 -15.3676 -15.3358 -15.3328 -5.9666 -5.9637 -5.3914 -5.3858 -3.6419 -3.6398 -3.4227 -3.4131 -0.7986 -0.7910 -0.1045 -0.1001 -0.0818 -0.0754 0.6600 0.6668 0.9668 0.9685 1.1473 1.1515 2.4838 2.4900 2.5869 2.5887 12.5057 12.5131 12.7010 12.7110 13.1780 13.1842 13.4273 13.4300 k = 0.3926 0.5820 0.1574 ( 2337 PWs) bands (ev): -17.7930 -17.7930 -16.5761 -16.5728 -15.3718 -15.3680 -15.3326 -15.3294 -6.0016 -5.9985 -5.3674 -5.3617 -3.6596 -3.6573 -3.4140 -3.4042 -0.8255 -0.8181 -0.1261 -0.1232 -0.0662 -0.0586 0.6685 0.6755 1.0227 1.0237 1.1787 1.1835 2.4636 2.4701 2.5812 2.5831 12.4686 12.4759 12.6980 12.7079 13.2063 13.2124 13.4618 13.4644 k = 0.3859 0.5891 0.1672 ( 2341 PWs) bands (ev): -17.7972 -17.7971 -16.5715 -16.5681 -15.3722 -15.3683 -15.3291 -15.3257 -6.0387 -6.0355 -5.3420 -5.3362 -3.6780 -3.6756 -3.4055 -3.3952 -0.8510 -0.8436 -0.1480 -0.1454 -0.0475 -0.0399 0.6767 0.6839 1.0767 1.0773 1.2111 1.2168 2.4423 2.4491 2.5754 2.5774 12.4308 12.4382 12.6961 12.7059 13.2357 13.2417 13.4957 13.4982 k = 0.3792 0.5963 0.1771 ( 2349 PWs) bands (ev): -17.8022 -17.8021 -16.5660 -16.5625 -15.3724 -15.3685 -15.3255 -15.3219 -6.0777 -6.0744 -5.3155 -5.3096 -3.6972 -3.6946 -3.3970 -3.3865 -0.8748 -0.8675 -0.1687 -0.1663 -0.0272 -0.0198 0.6848 0.6922 1.1271 1.1287 1.2453 1.2522 2.4199 2.4270 2.5695 2.5715 12.3926 12.4002 12.6950 12.7048 13.2661 13.2719 13.5286 13.5311 k = 0.3724 0.6035 0.1869 ( 2351 PWs) bands (ev): -17.8081 -17.8080 -16.5594 -16.5558 -15.3725 -15.3685 -15.3217 -15.3179 -6.1185 -6.1151 -5.2880 -5.2819 -3.7170 -3.7143 -3.3888 -3.3780 -0.8967 -0.8895 -0.1881 -0.1859 -0.0056 0.0016 0.6927 0.7003 1.1730 1.1759 1.2826 1.2908 2.3965 2.4039 2.5635 2.5655 12.3542 12.3619 12.6949 12.7045 13.2972 13.3029 13.5604 13.5627 k = 0.3657 0.6107 0.1967 ( 2359 PWs) bands (ev): -17.8150 -17.8149 -16.5516 -16.5479 -15.3725 -15.3683 -15.3177 -15.3137 -6.1610 -6.1575 -5.2597 -5.2536 -3.7375 -3.7346 -3.3808 -3.3698 -0.9167 -0.9095 -0.2060 -0.2039 0.0172 0.0242 0.7005 0.7083 1.2134 1.2175 1.3238 1.3331 2.3723 2.3799 2.5575 2.5595 12.3159 12.3237 12.6955 12.7050 13.3288 13.3344 13.5907 13.5929 k = 0.3590 0.6179 0.2066 ( 2351 PWs) bands (ev): -17.8229 -17.8228 -16.5426 -16.5388 -15.3722 -15.3680 -15.3135 -15.3093 -6.2048 -6.2013 -5.2309 -5.2246 -3.7585 -3.7555 -3.3732 -3.3620 -0.9347 -0.9275 -0.2223 -0.2203 0.0411 0.0479 0.7082 0.7163 1.2483 1.2531 1.3693 1.3791 2.3473 2.3552 2.5515 2.5535 12.2777 12.2858 12.6968 12.7062 13.3604 13.3659 13.6194 13.6214 k = 0.3590 0.6179 0.2066 ( 2351 PWs) bands (ev): -17.8229 -17.8228 -16.5426 -16.5388 -15.3722 -15.3680 -15.3135 -15.3093 -6.2048 -6.2013 -5.2309 -5.2246 -3.7585 -3.7555 -3.3732 -3.3620 -0.9347 -0.9275 -0.2223 -0.2203 0.0411 0.0479 0.7082 0.7163 1.2483 1.2531 1.3693 1.3791 2.3473 2.3552 2.5515 2.5535 12.2777 12.2858 12.6968 12.7062 13.3604 13.3659 13.6194 13.6214 k = 0.3466 0.6139 0.2121 ( 2357 PWs) bands (ev): -17.8285 -17.8284 -16.5361 -16.5323 -15.3718 -15.3676 -15.3110 -15.3067 -6.2329 -6.2293 -5.2120 -5.2057 -3.7709 -3.7679 -3.3699 -3.3585 -0.9432 -0.9360 -0.2302 -0.2283 0.0553 0.0619 0.7106 0.7188 1.2665 1.2715 1.3972 1.4071 2.3332 2.3412 2.5480 2.5501 12.2567 12.2649 12.6976 12.7070 13.3767 13.3822 13.6339 13.6359 k = 0.3343 0.6099 0.2176 ( 2355 PWs) bands (ev): -17.8357 -17.8356 -16.5277 -16.5239 -15.3711 -15.3668 -15.3083 -15.3039 -6.2662 -6.2627 -5.1885 -5.1821 -3.7842 -3.7811 -3.3680 -3.3566 -0.9497 -0.9426 -0.2366 -0.2346 0.0707 0.0771 0.7094 0.7179 1.2850 1.2902 1.4274 1.4374 2.3194 2.3275 2.5444 2.5466 12.2365 12.2448 12.6984 12.7077 13.3904 13.3957 13.6468 13.6487 k = 0.3219 0.6058 0.2231 ( 2357 PWs) bands (ev): -17.8443 -17.8443 -16.5175 -16.5137 -15.3701 -15.3658 -15.3055 -15.3010 -6.3039 -6.3004 -5.1613 -5.1549 -3.7982 -3.7950 -3.3677 -3.3563 -0.9545 -0.9474 -0.2418 -0.2394 0.0871 0.0934 0.7050 0.7138 1.3036 1.3092 1.4594 1.4694 2.3060 2.3142 2.5406 2.5430 12.2172 12.2255 12.6991 12.7085 13.4012 13.4065 13.6580 13.6598 k = 0.3095 0.6018 0.2286 ( 2355 PWs) bands (ev): -17.8541 -17.8541 -16.5059 -16.5021 -15.3687 -15.3644 -15.3024 -15.2978 -6.3449 -6.3414 -5.1313 -5.1249 -3.8127 -3.8095 -3.3689 -3.3574 -0.9574 -0.9504 -0.2456 -0.2430 0.1046 0.1107 0.6976 0.7069 1.3222 1.3282 1.4925 1.5025 2.2934 2.3017 2.5367 2.5393 12.1988 12.2072 12.7000 12.7093 13.4092 13.4144 13.6678 13.6696 k = 0.2971 0.5978 0.2341 ( 2353 PWs) bands (ev): -17.8650 -17.8650 -16.4931 -16.4893 -15.3670 -15.3626 -15.2992 -15.2945 -6.3885 -6.3850 -5.0993 -5.0929 -3.8277 -3.8243 -3.3715 -3.3599 -0.9588 -0.9518 -0.2483 -0.2453 0.1231 0.1290 0.6879 0.6976 1.3403 1.3468 1.5263 1.5363 2.2817 2.2900 2.5328 2.5357 12.1815 12.1898 12.7009 12.7102 13.4145 13.4195 13.6764 13.6781 k = 0.2847 0.5938 0.2396 ( 2357 PWs) bands (ev): -17.8767 -17.8767 -16.4794 -16.4756 -15.3650 -15.3606 -15.2958 -15.2910 -6.4337 -6.4303 -5.0659 -5.0595 -3.8428 -3.8394 -3.3754 -3.3639 -0.9585 -0.9516 -0.2500 -0.2466 0.1426 0.1483 0.6761 0.6864 1.3575 1.3644 1.5603 1.5703 2.2713 2.2796 2.5290 2.5322 12.1651 12.1734 12.7020 12.7112 13.4171 13.4220 13.6837 13.6854 k = 0.2724 0.5897 0.2451 ( 2355 PWs) bands (ev): -17.8891 -17.8890 -16.4650 -16.4612 -15.3627 -15.3583 -15.2922 -15.2873 -6.4801 -6.4768 -5.0317 -5.0252 -3.8579 -3.8544 -3.3806 -3.3691 -0.9568 -0.9499 -0.2508 -0.2469 0.1628 0.1683 0.6628 0.6737 1.3733 1.3807 1.5942 1.6041 2.2624 2.2708 2.5253 2.5288 12.1499 12.1582 12.7033 12.7124 13.4172 13.4219 13.6899 13.6916 k = 0.2600 0.5857 0.2506 ( 2355 PWs) bands (ev): -17.9018 -17.9018 -16.4501 -16.4463 -15.3601 -15.3557 -15.2885 -15.2834 -6.5271 -6.5238 -4.9971 -4.9906 -3.8729 -3.8693 -3.3871 -3.3756 -0.9537 -0.9469 -0.2508 -0.2465 0.1838 0.1891 0.6485 0.6600 1.3871 1.3949 1.6275 1.6373 2.2554 2.2636 2.5218 2.5257 12.1358 12.1440 12.7048 12.7138 13.4149 13.4196 13.6950 13.6967 k = 0.2476 0.5817 0.2561 ( 2355 PWs) bands (ev): -17.9149 -17.9149 -16.4349 -16.4312 -15.3573 -15.3529 -15.2845 -15.2794 -6.5742 -6.5710 -4.9624 -4.9560 -3.8874 -3.8838 -3.3948 -3.3834 -0.9493 -0.9426 -0.2501 -0.2454 0.2052 0.2103 0.6337 0.6458 1.3985 1.4067 1.6600 1.6697 2.2504 2.2586 2.5186 2.5229 12.1229 12.1309 12.7066 12.7154 13.4105 13.4151 13.6991 13.7008 k = 0.2352 0.5777 0.2616 ( 2353 PWs) bands (ev): -17.9281 -17.9281 -16.4197 -16.4161 -15.3542 -15.3499 -15.2804 -15.2752 -6.6210 -6.6179 -4.9282 -4.9218 -3.9014 -3.8977 -3.4037 -3.3923 -0.9438 -0.9372 -0.2489 -0.2438 0.2267 0.2316 0.6188 0.6317 1.4070 1.4157 1.6914 1.7010 2.2476 2.2557 2.5160 2.5207 12.1111 12.1189 12.7085 12.7172 13.4043 13.4088 13.7022 13.7039 k = 0.2228 0.5736 0.2671 ( 2353 PWs) bands (ev): -17.9413 -17.9413 -16.4046 -16.4010 -15.3510 -15.3467 -15.2760 -15.2708 -6.6671 -6.6641 -4.8946 -4.8883 -3.9146 -3.9108 -3.4135 -3.4022 -0.9372 -0.9307 -0.2472 -0.2418 0.2479 0.2527 0.6047 0.6184 1.4122 1.4213 1.7215 1.7309 2.2470 2.2550 2.5140 2.5191 12.1005 12.1080 12.7106 12.7192 13.3965 13.4009 13.7044 13.7061 k = 0.2105 0.5696 0.2727 ( 2358 PWs) bands (ev): -17.9544 -17.9543 -16.3897 -16.3863 -15.3477 -15.3435 -15.2715 -15.2663 -6.7123 -6.7094 -4.8619 -4.8557 -3.9268 -3.9230 -3.4244 -3.4132 -0.9296 -0.9233 -0.2452 -0.2395 0.2681 0.2729 0.5921 0.6066 1.4140 1.4234 1.7502 1.7592 2.2486 2.2565 2.5127 2.5183 12.0909 12.0983 12.7130 12.7213 13.3873 13.3917 13.7057 13.7074 k = 0.1981 0.5656 0.2782 ( 2359 PWs) bands (ev): -17.9672 -17.9671 -16.3753 -16.3720 -15.3442 -15.3402 -15.2669 -15.2616 -6.7563 -6.7535 -4.8304 -4.8244 -3.9378 -3.9339 -3.4362 -3.4251 -0.9212 -0.9151 -0.2430 -0.2370 0.2865 0.2914 0.5821 0.5975 1.4121 1.4218 1.7772 1.7859 2.2521 2.2599 2.5125 2.5185 12.0825 12.0896 12.7154 12.7236 13.3769 13.3813 13.7062 13.7080 k = 0.1857 0.5616 0.2837 ( 2362 PWs) bands (ev): -17.9797 -17.9796 -16.3614 -16.3582 -15.3408 -15.3368 -15.2620 -15.2569 -6.7987 -6.7961 -4.8004 -4.7945 -3.9474 -3.9434 -3.4489 -3.4379 -0.9121 -0.9062 -0.2406 -0.2343 0.3019 0.3069 0.5760 0.5920 1.4065 1.4163 1.8026 1.8109 2.2572 2.2649 2.5135 2.5198 12.0752 12.0820 12.7180 12.7259 13.3657 13.3700 13.7060 13.7078 k = 0.1733 0.5575 0.2892 ( 2356 PWs) bands (ev): -17.9917 -17.9916 -16.3481 -16.3451 -15.3374 -15.3336 -15.2571 -15.2520 -6.8394 -6.8369 -4.7720 -4.7663 -3.9555 -3.9513 -3.4622 -3.4515 -0.9025 -0.8968 -0.2380 -0.2316 0.3133 0.3184 0.5751 0.5916 1.3972 1.4072 1.8264 1.8342 2.2633 2.2709 2.5159 2.5224 12.0690 12.0754 12.7207 12.7282 13.3537 13.3581 13.7053 13.7072 k = 0.1609 0.5535 0.2947 ( 2360 PWs) bands (ev): -18.0032 -18.0031 -16.3356 -16.3327 -15.3340 -15.3304 -15.2520 -15.2471 -6.8782 -6.8759 -4.7454 -4.7400 -3.9618 -3.9575 -3.4763 -3.4658 -0.8924 -0.8869 -0.2354 -0.2289 0.3200 0.3248 0.5804 0.5970 1.3844 1.3946 1.8485 1.8558 2.2699 2.2773 2.5197 2.5264 12.0637 12.0698 12.7233 12.7305 13.3414 13.3457 13.7041 13.7060 k = 0.1486 0.5495 0.3002 ( 2358 PWs) bands (ev): -18.0141 -18.0140 -16.3238 -16.3210 -15.3308 -15.3274 -15.2469 -15.2423 -6.9149 -6.9127 -4.7208 -4.7157 -3.9663 -3.9619 -3.4909 -3.4806 -0.8820 -0.8768 -0.2328 -0.2262 0.3216 0.3261 0.5923 0.6086 1.3685 1.3787 1.8691 1.8758 2.2765 2.2838 2.5252 2.5319 12.0594 12.0651 12.7258 12.7327 13.3288 13.3331 13.7026 13.7045 k = 0.1362 0.5454 0.3057 ( 2355 PWs) bands (ev): -18.0243 -18.0243 -16.3128 -16.3103 -15.3277 -15.3245 -15.2419 -15.2374 -6.9492 -6.9472 -4.6984 -4.6936 -3.9689 -3.9644 -3.5059 -3.4959 -0.8716 -0.8666 -0.2302 -0.2236 0.3188 0.3227 0.6102 0.6258 1.3495 1.3598 1.8880 1.8942 2.2827 2.2897 2.5321 2.5387 12.0560 12.0613 12.7282 12.7347 13.3162 13.3204 13.7009 13.7028 k = 0.1238 0.5414 0.3112 ( 2355 PWs) bands (ev): -18.0338 -18.0338 -16.3027 -16.3003 -15.3248 -15.3219 -15.2369 -15.2327 -6.9811 -6.9793 -4.6782 -4.6738 -3.9695 -3.9650 -3.5211 -3.5115 -0.8612 -0.8565 -0.2277 -0.2212 0.3126 0.3160 0.6330 0.6478 1.3280 1.3383 1.9054 1.9111 2.2882 2.2948 2.5404 2.5467 12.0533 12.0583 12.7304 12.7365 13.3038 13.3079 13.6991 13.7010 k = 0.1114 0.5374 0.3167 ( 2355 PWs) bands (ev): -18.0426 -18.0425 -16.2935 -16.2914 -15.3221 -15.3194 -15.2320 -15.2282 -7.0104 -7.0087 -4.6603 -4.6563 -3.9683 -3.9638 -3.5364 -3.5272 -0.8510 -0.8467 -0.2253 -0.2190 0.3040 0.3071 0.6594 0.6734 1.3042 1.3145 1.9213 1.9263 2.2928 2.2989 2.5497 2.5556 12.0514 12.0560 12.7324 12.7380 13.2918 13.2958 13.6973 13.6992 k = 0.0990 0.5334 0.3222 ( 2355 PWs) bands (ev): -18.0505 -18.0504 -16.2852 -16.2833 -15.3196 -15.3172 -15.2274 -15.2240 -7.0370 -7.0354 -4.6446 -4.6410 -3.9655 -3.9609 -3.5516 -3.5429 -0.8412 -0.8373 -0.2231 -0.2171 0.2942 0.2970 0.6885 0.7017 1.2785 1.2887 1.9355 1.9400 2.2965 2.3021 2.5596 2.5650 12.0501 12.0543 12.7341 12.7393 13.2805 13.2843 13.6956 13.6974 k = 0.0867 0.5293 0.3277 ( 2356 PWs) bands (ev): -18.0576 -18.0575 -16.2779 -16.2762 -15.3174 -15.3153 -15.2231 -15.2200 -7.0607 -7.0593 -4.6312 -4.6281 -3.9611 -3.9566 -3.5664 -3.5582 -0.8320 -0.8284 -0.2209 -0.2153 0.2840 0.2867 0.7192 0.7318 1.2513 1.2614 1.9482 1.9522 2.2993 2.3043 2.5697 2.5744 12.0494 12.0531 12.7356 12.7402 13.2701 13.2736 13.6941 13.6957 k = 0.0743 0.5253 0.3332 ( 2356 PWs) bands (ev): -18.0638 -18.0637 -16.2715 -16.2701 -15.3155 -15.3136 -15.2192 -15.2165 -7.0814 -7.0802 -4.6199 -4.6172 -3.9556 -3.9513 -3.5805 -3.5730 -0.8235 -0.8204 -0.2189 -0.2139 0.2741 0.2766 0.7510 0.7629 1.2231 1.2330 1.9593 1.9627 2.3015 2.3058 2.5794 2.5836 12.0491 12.0523 12.7367 12.7408 13.2607 13.2639 13.6927 13.6942 k = 0.0619 0.5213 0.3387 ( 2358 PWs) bands (ev): -18.0691 -18.0690 -16.2661 -16.2649 -15.3138 -15.3122 -15.2157 -15.2134 -7.0991 -7.0981 -4.6107 -4.6084 -3.9495 -3.9455 -3.5935 -3.5868 -0.8160 -0.8133 -0.2171 -0.2127 0.2651 0.2673 0.7830 0.7941 1.1944 1.2040 1.9689 1.9717 2.3030 2.3067 2.5885 2.5919 12.0491 12.0518 12.7377 12.7412 13.2525 13.2553 13.6916 13.6929 k = 0.0495 0.5173 0.3443 ( 2358 PWs) bands (ev): -18.0734 -18.0734 -16.2617 -16.2607 -15.3123 -15.3111 -15.2127 -15.2108 -7.1136 -7.1129 -4.6033 -4.6015 -3.9431 -3.9396 -3.6050 -3.5993 -0.8095 -0.8073 -0.2155 -0.2118 0.2572 0.2591 0.8144 0.8247 1.1661 1.1752 1.9767 1.9790 2.3042 2.3071 2.5965 2.5992 12.0493 12.0515 12.7385 12.7413 13.2457 13.2480 13.6907 13.6918 k = 0.0371 0.5132 0.3498 ( 2354 PWs) bands (ev): -18.0768 -18.0768 -16.2582 -16.2574 -15.3112 -15.3102 -15.2102 -15.2088 -7.1250 -7.1244 -4.5977 -4.5964 -3.9371 -3.9342 -3.6144 -3.6099 -0.8042 -0.8026 -0.2142 -0.2113 0.2509 0.2523 0.8442 0.8532 1.1393 1.1476 1.9830 1.9847 2.3050 2.3072 2.6031 2.6051 12.0496 12.0513 12.7391 12.7413 13.2403 13.2421 13.6901 13.6909 k = 0.0248 0.5092 0.3553 ( 2358 PWs) bands (ev): -18.0793 -18.0792 -16.2557 -16.2552 -15.3103 -15.3097 -15.2084 -15.2074 -7.1331 -7.1327 -4.5938 -4.5929 -3.9321 -3.9301 -3.6214 -3.6183 -0.8003 -0.7992 -0.2130 -0.2110 0.2463 0.2473 0.8704 0.8775 1.1163 1.1229 1.9875 1.9886 2.3056 2.3071 2.6081 2.6094 12.0500 12.0511 12.7396 12.7411 13.2365 13.2377 13.6897 13.6902 k = 0.0124 0.5052 0.3608 ( 2356 PWs) bands (ev): -18.0807 -18.0807 -16.2541 -16.2539 -15.3097 -15.3094 -15.2072 -15.2067 -7.1380 -7.1378 -4.5913 -4.5909 -3.9286 -3.9276 -3.6254 -3.6238 -0.7977 -0.7972 -0.2121 -0.2111 0.2436 0.2441 0.8900 0.8941 1.1004 1.1043 1.9903 1.9909 2.3061 2.3068 2.6112 2.6119 12.0504 12.0509 12.7401 12.7408 13.2343 13.2350 13.6895 13.6898 k = 0.0000 0.5012 0.3663 ( 2356 PWs) bands (ev): -18.0812 -18.0812 -16.2535 -16.2535 -15.3094 -15.3094 -15.2066 -15.2066 -7.1395 -7.1395 -4.5904 -4.5904 -3.9271 -3.9271 -3.6263 -3.6263 -0.7967 -0.7967 -0.2114 -0.2114 0.2428 0.2428 0.8988 0.8988 1.0959 1.0959 1.9915 1.9915 2.3065 2.3065 2.6125 2.6125 12.0507 12.0507 12.7405 12.7405 13.2338 13.2338 13.6895 13.6895 k = 0.0000 0.5012 0.3663 ( 2356 PWs) bands (ev): -18.0812 -18.0812 -16.2535 -16.2535 -15.3094 -15.3094 -15.2066 -15.2066 -7.1395 -7.1395 -4.5904 -4.5904 -3.9271 -3.9271 -3.6263 -3.6263 -0.7967 -0.7967 -0.2114 -0.2114 0.2428 0.2428 0.8988 0.8988 1.0959 1.0959 1.9915 1.9915 2.3065 2.3065 2.6125 2.6125 12.0507 12.0507 12.7405 12.7405 13.2338 13.2338 13.6895 13.6895 k = 0.0069 0.4937 0.3765 ( 2358 PWs) bands (ev): -18.0807 -18.0807 -16.2542 -16.2539 -15.3099 -15.3095 -15.2067 -15.2065 -7.1385 -7.1383 -4.5935 -4.5924 -3.9260 -3.9248 -3.6259 -3.6257 -0.7974 -0.7972 -0.2125 -0.2119 0.2423 0.2431 0.8999 0.9007 1.0963 1.0966 1.9901 1.9911 2.3065 2.3077 2.6120 2.6124 12.0517 12.0517 12.7405 12.7411 13.2306 13.2321 13.6902 13.6922 k = 0.0139 0.4863 0.3866 ( 2364 PWs) bands (ev): -18.0793 -18.0792 -16.2559 -16.2554 -15.3109 -15.3100 -15.2069 -15.2065 -7.1353 -7.1348 -4.6017 -4.5996 -3.9217 -3.9193 -3.6247 -3.6242 -0.7992 -0.7987 -0.2152 -0.2140 0.2415 0.2430 0.9039 0.9054 1.0978 1.0985 1.9870 1.9889 2.3076 2.3100 2.6107 2.6115 12.0547 12.0548 12.7411 12.7423 13.2227 13.2256 13.6939 13.6978 k = 0.0208 0.4789 0.3968 ( 2358 PWs) bands (ev): -18.0768 -18.0768 -16.2587 -16.2579 -15.3123 -15.3111 -15.2071 -15.2065 -7.1298 -7.1291 -4.6146 -4.6115 -3.9143 -3.9109 -3.6226 -3.6218 -0.8020 -0.8014 -0.2193 -0.2176 0.2406 0.2428 0.9107 0.9130 1.1005 1.1016 1.9822 1.9849 2.3100 2.3135 2.6087 2.6098 12.0598 12.0600 12.7423 12.7441 13.2107 13.2147 13.7003 13.7058 k = 0.0278 0.4714 0.4070 ( 2360 PWs) bands (ev): -18.0734 -18.0734 -16.2626 -16.2615 -15.3143 -15.3126 -15.2073 -15.2066 -7.1221 -7.1212 -4.6320 -4.6281 -3.9041 -3.8998 -3.6196 -3.6186 -0.8059 -0.8050 -0.2249 -0.2226 0.2395 0.2423 0.9202 0.9230 1.1043 1.1057 1.9759 1.9794 2.3134 2.3179 2.6060 2.6075 12.0668 12.0671 12.7440 12.7464 13.1951 13.2001 13.7086 13.7156 k = 0.0347 0.4640 0.4172 ( 2362 PWs) bands (ev): -18.0691 -18.0690 -16.2675 -16.2662 -15.3166 -15.3145 -15.2076 -15.2068 -7.1122 -7.1112 -4.6533 -4.6487 -3.8917 -3.8865 -3.6158 -3.6146 -0.8106 -0.8096 -0.2320 -0.2291 0.2384 0.2419 0.9319 0.9353 1.1093 1.1110 1.9682 1.9724 2.3177 2.3232 2.6026 2.6046 12.0758 12.0762 12.7461 12.7492 13.1769 13.1826 13.7180 13.7263 k = 0.0417 0.4566 0.4273 ( 2362 PWs) bands (ev): -18.0638 -18.0638 -16.2735 -16.2719 -15.3193 -15.3169 -15.2080 -15.2071 -7.1001 -7.0989 -4.6782 -4.6730 -3.8773 -3.8714 -3.6112 -3.6097 -0.8161 -0.8148 -0.2403 -0.2370 0.2374 0.2414 0.9456 0.9494 1.1154 1.1175 1.9594 1.9641 2.3229 2.3291 2.5986 2.6010 12.0868 12.0872 12.7486 12.7524 13.1568 13.1630 13.7278 13.7371 k = 0.0486 0.4491 0.4375 ( 2364 PWs) bands (ev): -18.0576 -18.0575 -16.2805 -16.2787 -15.3223 -15.3196 -15.2085 -15.2075 -7.0860 -7.0846 -4.7063 -4.7005 -3.8615 -3.8550 -3.6059 -3.6041 -0.8222 -0.8208 -0.2500 -0.2461 0.2366 0.2411 0.9608 0.9648 1.1227 1.1251 1.9495 1.9546 2.3287 2.3356 2.5940 2.5968 12.0996 12.1001 12.7514 12.7559 13.1355 13.1419 13.7371 13.7472 k = 0.0556 0.4417 0.4477 ( 2364 PWs) bands (ev): -18.0505 -18.0504 -16.2886 -16.2866 -15.3256 -15.3225 -15.2090 -15.2080 -7.0697 -7.0681 -4.7370 -4.7309 -3.8446 -3.8375 -3.5999 -3.5979 -0.8287 -0.8271 -0.2608 -0.2564 0.2362 0.2410 0.9770 0.9812 1.1312 1.1340 1.9388 1.9443 2.3349 2.3424 2.5888 2.5921 12.1141 12.1147 12.7542 12.7595 13.1136 13.1202 13.7452 13.7559 k = 0.0625 0.4342 0.4579 ( 2362 PWs) bands (ev): -18.0426 -18.0425 -16.2976 -16.2954 -15.3290 -15.3256 -15.2097 -15.2086 -7.0514 -7.0496 -4.7702 -4.7637 -3.8268 -3.8193 -3.5934 -3.5911 -0.8356 -0.8338 -0.2726 -0.2678 0.2361 0.2413 0.9937 0.9977 1.1409 1.1442 1.9277 1.9334 2.3414 2.3494 2.5832 2.5870 12.1304 12.1311 12.7569 12.7631 13.0918 13.0983 13.7516 13.7628 k = 0.0694 0.4268 0.4680 ( 2362 PWs) bands (ev): -18.0337 -18.0337 -16.3077 -16.3053 -15.3326 -15.3289 -15.2105 -15.2093 -7.0312 -7.0292 -4.8055 -4.7987 -3.8086 -3.8007 -3.5863 -3.5837 -0.8425 -0.8405 -0.2854 -0.2802 0.2366 0.2420 1.0102 1.0139 1.1520 1.1558 1.9163 1.9222 2.3480 2.3564 2.5772 2.5815 12.1483 12.1491 12.7594 12.7664 13.0705 13.0768 13.7557 13.7673 k = 0.0764 0.4194 0.4782 ( 2362 PWs) bands (ev): -18.0241 -18.0240 -16.3188 -16.3162 -15.3363 -15.3323 -15.2114 -15.2102 -7.0090 -7.0068 -4.8426 -4.8356 -3.7901 -3.7819 -3.5787 -3.5759 -0.8494 -0.8472 -0.2990 -0.2934 0.2376 0.2433 1.0260 1.0291 1.1645 1.1689 1.9050 1.9111 2.3545 2.3631 2.5708 2.5758 12.1678 12.1686 12.7613 12.7694 13.0502 13.0563 13.7571 13.7690 k = 0.0833 0.4119 0.4884 ( 2358 PWs) bands (ev): -18.0137 -18.0136 -16.3308 -16.3280 -15.3400 -15.3358 -15.2125 -15.2113 -6.9849 -6.9826 -4.8813 -4.8741 -3.7715 -3.7631 -3.5708 -3.5677 -0.8560 -0.8537 -0.3133 -0.3074 0.2393 0.2452 1.0403 1.0427 1.1784 1.1835 1.8942 1.9004 2.3607 2.3695 2.5643 2.5698 12.1886 12.1896 12.7625 12.7716 13.0314 13.0372 13.7555 13.7677 k = 0.0903 0.4045 0.4986 ( 2356 PWs) bands (ev): -18.0026 -18.0025 -16.3437 -16.3408 -15.3436 -15.3392 -15.2136 -15.2124 -6.9591 -6.9566 -4.9214 -4.9141 -3.7531 -3.7444 -3.5626 -3.5593 -0.8622 -0.8597 -0.3283 -0.3221 0.2418 0.2478 1.0525 1.0542 1.1935 1.1995 1.8843 1.8905 2.3663 2.3753 2.5577 2.5639 12.2107 12.2118 12.7627 12.7730 13.0145 13.0199 13.7509 13.7632 k = 0.0972 0.3971 0.5087 ( 2356 PWs) bands (ev): -17.9909 -17.9907 -16.3575 -16.3544 -15.3472 -15.3426 -15.2149 -15.2138 -6.9315 -6.9288 -4.9628 -4.9554 -3.7348 -3.7260 -3.5543 -3.5506 -0.8678 -0.8651 -0.3439 -0.3373 0.2450 0.2512 1.0623 1.0634 1.2096 1.2165 1.8757 1.8820 2.3712 2.3804 2.5511 2.5580 12.2340 12.2352 12.7617 12.7731 12.9997 13.0049 13.7431 13.7555 k = 0.1042 0.3896 0.5189 ( 2358 PWs) bands (ev): -17.9784 -17.9783 -16.3721 -16.3689 -15.3506 -15.3458 -15.2163 -15.2152 -6.9022 -6.8994 -5.0054 -4.9979 -3.7169 -3.7080 -3.5459 -3.5419 -0.8727 -0.8699 -0.3598 -0.3530 0.2492 0.2554 1.0691 1.0701 1.2264 1.2342 1.8688 1.8752 2.3752 2.3844 2.5447 2.5522 12.2583 12.2596 12.7595 12.7720 12.9872 12.9923 13.7321 13.7446 k = 0.1111 0.3822 0.5291 ( 2360 PWs) bands (ev): -17.9655 -17.9654 -16.3874 -16.3841 -15.3539 -15.3489 -15.2178 -15.2168 -6.8714 -6.8684 -5.0489 -5.0414 -3.6993 -3.6903 -3.5375 -3.5332 -0.8767 -0.8737 -0.3762 -0.3691 0.2542 0.2605 1.0726 1.0741 1.2435 1.2521 1.8640 1.8706 2.3781 2.3873 2.5386 2.5467 12.2835 12.2850 12.7561 12.7695 12.9772 12.9822 13.7181 13.7306 k = 0.1181 0.3748 0.5393 ( 2358 PWs) bands (ev): -17.9520 -17.9519 -16.4034 -16.3999 -15.3570 -15.3519 -15.2194 -15.2184 -6.8390 -6.8359 -5.0933 -5.0858 -3.6823 -3.6732 -3.5291 -3.5246 -0.8797 -0.8765 -0.3928 -0.3855 0.2602 0.2665 1.0731 1.0751 1.2605 1.2697 1.8619 1.8686 2.3799 2.3890 2.5329 2.5416 12.3094 12.3110 12.7516 12.7658 12.9695 12.9746 13.7013 13.7138 k = 0.1250 0.3673 0.5494 ( 2358 PWs) bands (ev): -17.9381 -17.9380 -16.4199 -16.4163 -15.3599 -15.3546 -15.2211 -15.2202 -6.8052 -6.8019 -5.1385 -5.1310 -3.6658 -3.6566 -3.5210 -3.5162 -0.8817 -0.8783 -0.4096 -0.4022 0.2671 0.2735 1.0703 1.0727 1.2772 1.2868 1.8625 1.8696 2.3803 2.3893 2.5276 2.5369 12.3359 12.3376 12.7463 12.7612 12.9639 12.9690 13.6820 13.6945 k = 0.1319 0.3599 0.5596 ( 2360 PWs) bands (ev): -17.9239 -17.9238 -16.4368 -16.4332 -15.3625 -15.3571 -15.2229 -15.2220 -6.7700 -6.7666 -5.1844 -5.1769 -3.6499 -3.6407 -3.5131 -3.5081 -0.8825 -0.8789 -0.4266 -0.4190 0.2752 0.2815 1.0643 1.0669 1.2932 1.3030 1.8663 1.8736 2.3796 2.3883 2.5227 2.5324 12.3627 12.3646 12.7407 12.7560 12.9600 12.9652 13.6605 13.6730 k = 0.1389 0.3524 0.5698 ( 2360 PWs) bands (ev): -17.9094 -17.9093 -16.4541 -16.4504 -15.3649 -15.3594 -15.2248 -15.2240 -6.7335 -6.7300 -5.2309 -5.2234 -3.6346 -3.6254 -3.5056 -3.5003 -0.8821 -0.8782 -0.4437 -0.4359 0.2843 0.2907 1.0548 1.0576 1.3084 1.3184 1.8731 1.8808 2.3776 2.3861 2.5182 2.5282 12.3898 12.3918 12.7351 12.7506 12.9573 12.9627 13.6372 13.6497 k = 0.1458 0.3450 0.5800 ( 2360 PWs) bands (ev): -17.8948 -17.8947 -16.4717 -16.4679 -15.3670 -15.3614 -15.2267 -15.2259 -6.6958 -6.6922 -5.2780 -5.2705 -3.6199 -3.6107 -3.4985 -3.4929 -0.8804 -0.8762 -0.4608 -0.4530 0.2946 0.3009 1.0420 1.0449 1.3229 1.3328 1.8829 1.8909 2.3746 2.3828 2.5139 2.5242 12.4168 12.4191 12.7299 12.7454 12.9556 12.9610 13.6124 13.6248 k = 0.1528 0.3376 0.5901 ( 2360 PWs) bands (ev): -17.8802 -17.8801 -16.4892 -16.4854 -15.3689 -15.3632 -15.2286 -15.2279 -6.6569 -6.6532 -5.3255 -5.3181 -3.6059 -3.5967 -3.4919 -3.4860 -0.8774 -0.8730 -0.4780 -0.4701 0.3060 0.3124 1.0259 1.0288 1.3366 1.3462 1.8953 1.9037 2.3708 2.3787 2.5097 2.5200 12.4437 12.4461 12.7255 12.7409 12.9544 12.9599 13.5866 13.5988 k = 0.1597 0.3301 0.6003 ( 2364 PWs) bands (ev): -17.8656 -17.8655 -16.5068 -16.5029 -15.3705 -15.3648 -15.2305 -15.2299 -6.6170 -6.6132 -5.3734 -5.3660 -3.5926 -3.5834 -3.4858 -3.4797 -0.8731 -0.8684 -0.4951 -0.4872 0.3187 0.3250 1.0067 1.0096 1.3495 1.3588 1.9100 1.9187 2.3665 2.3741 2.5054 2.5156 12.4701 12.4728 12.7220 12.7371 12.9533 12.9590 13.5599 13.5721 k = 0.1667 0.3227 0.6105 ( 2364 PWs) bands (ev): -17.8512 -17.8511 -16.5240 -16.5201 -15.3719 -15.3661 -15.2325 -15.2319 -6.5761 -6.5722 -5.4217 -5.4143 -3.5800 -3.5708 -3.4803 -3.4740 -0.8676 -0.8626 -0.5122 -0.5043 0.3326 0.3390 0.9848 0.9876 1.3616 1.3706 1.9266 1.9355 2.3620 2.3692 2.5007 2.5108 12.4960 12.4989 12.7197 12.7344 12.9522 12.9580 13.5330 13.5450 k = 0.1736 0.3153 0.6206 ( 2370 PWs) bands (ev): -17.8371 -17.8370 -16.5409 -16.5370 -15.3730 -15.3672 -15.2344 -15.2339 -6.5342 -6.5303 -5.4702 -5.4628 -3.5681 -3.5590 -3.4754 -3.4689 -0.8609 -0.8555 -0.5292 -0.5213 0.3477 0.3542 0.9604 0.9631 1.3731 1.3816 1.9444 1.9536 2.3574 2.3643 2.4954 2.5053 12.5209 12.5242 12.7186 12.7329 12.9508 12.9567 13.5062 13.5179 k = 0.1806 0.3078 0.6308 ( 2370 PWs) bands (ev): -17.8235 -17.8235 -16.5572 -16.5532 -15.3740 -15.3681 -15.2362 -15.2358 -6.4916 -6.4875 -5.5189 -5.5116 -3.5569 -3.5479 -3.4712 -3.4645 -0.8531 -0.8473 -0.5461 -0.5382 0.3642 0.3708 0.9339 0.9366 1.3838 1.3918 1.9630 1.9723 2.3532 2.3599 2.4896 2.4993 12.5448 12.5485 12.7190 12.7324 12.9490 12.9552 13.4798 13.4911 k = 0.1875 0.3004 0.6410 ( 2374 PWs) bands (ev): -17.8105 -17.8105 -16.5727 -16.5688 -15.3747 -15.3688 -15.2380 -15.2376 -6.4482 -6.4441 -5.5677 -5.5604 -3.5464 -3.5375 -3.4676 -3.4608 -0.8442 -0.8379 -0.5629 -0.5551 0.3820 0.3886 0.9057 0.9083 1.3938 1.4013 1.9818 1.9911 2.3496 2.3561 2.4831 2.4924 12.5673 12.5717 12.7207 12.7331 12.9467 12.9531 13.4542 13.4652 k = 0.1944 0.2930 0.6512 ( 2374 PWs) bands (ev): -17.7984 -17.7983 -16.5873 -16.5833 -15.3753 -15.3694 -15.2396 -15.2393 -6.4042 -6.4000 -5.6166 -5.6093 -3.5367 -3.5280 -3.4647 -3.4579 -0.8343 -0.8276 -0.5795 -0.5718 0.4010 0.4078 0.8763 0.8786 1.4031 1.4100 2.0003 2.0095 2.3469 2.3533 2.4758 2.4847 12.5881 12.5935 12.7237 12.7346 12.9440 12.9507 13.4299 13.4403 k = 0.2014 0.2855 0.6613 ( 2374 PWs) bands (ev): -17.7871 -17.7871 -16.6008 -16.5967 -15.3757 -15.3698 -15.2412 -15.2409 -6.3596 -6.3555 -5.6653 -5.6580 -3.5277 -3.5192 -3.4625 -3.4556 -0.8237 -0.8164 -0.5960 -0.5883 0.4213 0.4283 0.8459 0.8481 1.4114 1.4178 2.0178 2.0269 2.3453 2.3517 2.4678 2.4763 12.6070 12.6138 12.7277 12.7368 12.9409 12.9479 13.4072 13.4169 k = 0.2083 0.2781 0.6715 ( 2376 PWs) bands (ev): -17.7770 -17.7769 -16.6129 -16.6088 -15.3761 -15.3701 -15.2426 -15.2423 -6.3147 -6.3106 -5.7139 -5.7065 -3.5196 -3.5113 -3.4609 -3.4540 -0.8124 -0.8044 -0.6122 -0.6046 0.4427 0.4500 0.8149 0.8171 1.4189 1.4248 2.0341 2.0428 2.3451 2.3516 2.4591 2.4672 12.6239 12.6326 12.7325 12.7394 12.9375 12.9449 13.3866 13.3954 k = 0.2153 0.2706 0.6817 ( 2376 PWs) bands (ev): -17.7681 -17.7680 -16.6235 -16.6194 -15.3763 -15.3703 -15.2438 -15.2436 -6.2696 -6.2656 -5.7620 -5.7545 -3.5122 -3.5043 -3.4598 -3.4531 -0.8006 -0.7919 -0.6280 -0.6204 0.4650 0.4729 0.7839 0.7860 1.4254 1.4308 2.0485 2.0568 2.3463 2.3531 2.4499 2.4575 12.6384 12.6495 12.7375 12.7420 12.9341 12.9417 13.3684 13.3762 k = 0.2222 0.2632 0.6919 ( 2378 PWs) bands (ev): -17.7606 -17.7605 -16.6324 -16.6284 -15.3764 -15.3704 -15.2448 -15.2446 -6.2248 -6.2209 -5.8093 -5.8017 -3.5058 -3.4984 -3.4591 -3.4527 -0.7887 -0.7791 -0.6433 -0.6357 0.4880 0.4965 0.7532 0.7555 1.4308 1.4359 2.0608 2.0685 2.3489 2.3561 2.4405 2.4476 12.6506 12.6644 12.7423 12.7443 12.9308 12.9387 13.3531 13.3597 k = 0.2292 0.2558 0.7020 ( 2384 PWs) bands (ev): -17.7546 -17.7545 -16.6395 -16.6355 -15.3765 -15.3705 -15.2456 -15.2455 -6.1808 -6.1772 -5.8552 -5.8473 -3.5004 -3.4936 -3.4588 -3.4529 -0.7772 -0.7663 -0.6579 -0.6499 0.5109 0.5206 0.7234 0.7265 1.4352 1.4398 2.0707 2.0777 2.3527 2.3606 2.4312 2.4379 12.6602 12.6770 12.7452 12.7471 12.9280 12.9361 13.3409 13.3461 k = 0.2361 0.2483 0.7122 ( 2388 PWs) bands (ev): -17.7502 -17.7502 -16.6447 -16.6407 -15.3766 -15.3706 -15.2462 -15.2461 -6.1394 -6.1363 -5.8980 -5.8895 -3.4961 -3.4901 -3.4587 -3.4533 -0.7668 -0.7542 -0.6710 -0.6622 0.5325 0.5439 0.6959 0.7004 1.4383 1.4427 2.0778 2.0843 2.3569 2.3658 2.4227 2.4291 12.6673 12.6867 12.7461 12.7503 12.9259 12.9340 13.3322 13.3359 k = 0.2431 0.2409 0.7224 ( 2398 PWs) bands (ev): -17.7476 -17.7475 -16.6479 -16.6438 -15.3766 -15.3706 -15.2465 -15.2465 -6.1051 -6.1029 -5.9332 -5.9238 -3.4933 -3.4881 -3.4586 -3.4538 -0.7592 -0.7446 -0.6812 -0.6710 0.5497 0.5635 0.6737 0.6805 1.4402 1.4444 2.0822 2.0882 2.3605 2.3705 2.4161 2.4227 12.6716 12.6930 12.7463 12.7523 12.9245 12.9326 13.3272 13.3293 k = 0.2500 0.2335 0.7326 ( 2400 PWs) bands (ev): -17.7467 -17.7466 -16.6489 -16.6449 -15.3766 -15.3706 -15.2467 -15.2467 -6.0899 -6.0884 -5.9486 -5.9385 -3.4923 -3.4875 -3.4585 -3.4541 -0.7562 -0.7405 -0.6854 -0.6744 0.5569 0.5722 0.6641 0.6725 1.4408 1.4450 2.0836 2.0895 2.3620 2.3725 2.4135 2.4202 12.6731 12.6953 12.7463 12.7530 12.9241 12.9321 13.3257 13.3269 k = 0.2500 0.2335 0.7326 ( 2400 PWs) bands (ev): -17.7467 -17.7466 -16.6489 -16.6449 -15.3766 -15.3706 -15.2467 -15.2467 -6.0899 -6.0884 -5.9486 -5.9385 -3.4923 -3.4875 -3.4585 -3.4541 -0.7562 -0.7405 -0.6854 -0.6744 0.5569 0.5722 0.6641 0.6725 1.4408 1.4450 2.0836 2.0895 2.3620 2.3725 2.4135 2.4202 12.6731 12.6953 12.7463 12.7530 12.9241 12.9321 13.3257 13.3269 k = 0.2576 0.2405 0.7229 ( 2393 PWs) bands (ev): -17.7471 -17.7470 -16.6485 -16.6444 -15.3766 -15.3706 -15.2466 -15.2466 -6.0971 -6.0952 -5.9416 -5.9319 -3.4923 -3.4873 -3.4582 -3.4537 -0.7576 -0.7426 -0.6833 -0.6727 0.5526 0.5672 0.6679 0.6754 1.4410 1.4452 2.0829 2.0887 2.3617 2.3719 2.4153 2.4218 12.6727 12.6946 12.7461 12.7524 12.9243 12.9324 13.3274 13.3291 k = 0.2652 0.2476 0.7132 ( 2388 PWs) bands (ev): -17.7482 -17.7481 -16.6472 -16.6432 -15.3766 -15.3706 -15.2465 -15.2464 -6.1147 -6.1122 -5.9243 -5.9153 -3.4921 -3.4868 -3.4575 -3.4527 -0.7622 -0.7487 -0.6767 -0.6674 0.5405 0.5532 0.6778 0.6836 1.4417 1.4459 2.0807 2.0867 2.3601 2.3693 2.4207 2.4270 12.6717 12.6924 12.7457 12.7509 12.9248 12.9329 13.3326 13.3351 k = 0.2727 0.2547 0.7035 ( 2388 PWs) bands (ev): -17.7498 -17.7498 -16.6453 -16.6412 -15.3765 -15.3706 -15.2462 -15.2461 -6.1371 -6.1341 -5.9023 -5.8938 -3.4915 -3.4858 -3.4563 -3.4513 -0.7697 -0.7581 -0.6664 -0.6585 0.5222 0.5331 0.6908 0.6950 1.4429 1.4472 2.0775 2.0836 2.3570 2.3651 2.4295 2.4357 12.6700 12.6888 12.7460 12.7493 12.9256 12.9336 13.3411 13.3444 k = 0.2803 0.2618 0.6938 ( 2384 PWs) bands (ev): -17.7519 -17.7519 -16.6428 -16.6388 -15.3765 -15.3706 -15.2460 -15.2458 -6.1611 -6.1578 -5.8786 -5.8705 -3.4905 -3.4844 -3.4549 -3.4497 -0.7796 -0.7695 -0.6536 -0.6466 0.4996 0.5091 0.7046 0.7077 1.4447 1.4490 2.0737 2.0798 2.3526 2.3596 2.4408 2.4469 12.6673 12.6837 12.7472 12.7482 12.9265 12.9345 13.3524 13.3564 k = 0.2879 0.2688 0.6842 ( 2380 PWs) bands (ev): -17.7544 -17.7543 -16.6399 -16.6360 -15.3764 -15.3706 -15.2457 -15.2454 -6.1852 -6.1817 -5.8547 -5.8469 -3.4889 -3.4825 -3.4531 -3.4477 -0.7909 -0.7821 -0.6390 -0.6326 0.4739 0.4824 0.7179 0.7205 1.4470 1.4515 2.0695 2.0756 2.3471 2.3534 2.4536 2.4599 12.6636 12.6774 12.7479 12.7499 12.9276 12.9356 13.3661 13.3707 k = 0.2955 0.2759 0.6745 ( 2376 PWs) bands (ev): -17.7570 -17.7570 -16.6368 -16.6329 -15.3763 -15.3706 -15.2454 -15.2450 -6.2084 -6.2048 -5.8313 -5.8238 -3.4870 -3.4801 -3.4510 -3.4455 -0.8032 -0.7953 -0.6230 -0.6170 0.4460 0.4537 0.7298 0.7324 1.4501 1.4545 2.0653 2.0715 2.3411 2.3468 2.4674 2.4738 12.6589 12.6702 12.7491 12.7535 12.9292 12.9371 13.3816 13.3868 k = 0.3030 0.2830 0.6648 ( 2375 PWs) bands (ev): -17.7599 -17.7598 -16.6335 -16.6296 -15.3763 -15.3706 -15.2451 -15.2446 -6.2302 -6.2266 -5.8089 -5.8016 -3.4846 -3.4774 -3.4488 -3.4431 -0.8160 -0.8089 -0.6061 -0.6003 0.4165 0.4235 0.7401 0.7427 1.4537 1.4582 2.0613 2.0675 2.3346 2.3398 2.4815 2.4880 12.6532 12.6625 12.7515 12.7580 12.9312 12.9391 13.3986 13.4042 k = 0.3106 0.2901 0.6551 ( 2369 PWs) bands (ev): -17.7627 -17.7627 -16.6301 -16.6263 -15.3762 -15.3706 -15.2449 -15.2443 -6.2502 -6.2466 -5.7877 -5.7806 -3.4818 -3.4743 -3.4463 -3.4405 -0.8290 -0.8225 -0.5885 -0.5829 0.3858 0.3924 0.7482 0.7512 1.4579 1.4624 2.0579 2.0640 2.3278 2.3328 2.4954 2.5020 12.6469 12.6544 12.7551 12.7634 12.9339 12.9418 13.4167 13.4226 k = 0.3182 0.2971 0.6454 ( 2368 PWs) bands (ev): -17.7655 -17.7654 -16.6267 -16.6230 -15.3762 -15.3707 -15.2449 -15.2440 -6.2682 -6.2647 -5.7679 -5.7610 -3.4788 -3.4709 -3.4436 -3.4377 -0.8418 -0.8357 -0.5705 -0.5651 0.3545 0.3607 0.7541 0.7573 1.4627 1.4671 2.0550 2.0610 2.3210 2.3258 2.5088 2.5155 12.6402 12.6464 12.7596 12.7692 12.9373 12.9451 13.4356 13.4418 k = 0.3258 0.3042 0.6358 ( 2370 PWs) bands (ev): -17.7682 -17.7681 -16.6235 -16.6198 -15.3761 -15.3707 -15.2449 -15.2440 -6.2840 -6.2805 -5.7496 -5.7429 -3.4756 -3.4674 -3.4407 -3.4347 -0.8542 -0.8486 -0.5524 -0.5473 0.3231 0.3288 0.7575 0.7610 1.4680 1.4723 2.0527 2.0587 2.3142 2.3189 2.5214 2.5281 12.6334 12.6386 12.7647 12.7752 12.9414 12.9493 13.4550 13.4614 k = 0.3333 0.3113 0.6261 ( 2370 PWs) bands (ev): -17.7706 -17.7706 -16.6204 -16.6168 -15.3761 -15.3708 -15.2452 -15.2440 -6.2973 -6.2939 -5.7330 -5.7263 -3.4724 -3.4638 -3.4375 -3.4314 -0.8661 -0.8607 -0.5346 -0.5297 0.2919 0.2972 0.7584 0.7622 1.4738 1.4779 2.0512 2.0570 2.3074 2.3121 2.5328 2.5396 12.6267 12.6312 12.7701 12.7812 12.9462 12.9541 13.4749 13.4815 k = 0.3409 0.3184 0.6164 ( 2364 PWs) bands (ev): -17.7729 -17.7728 -16.6177 -16.6141 -15.3761 -15.3709 -15.2456 -15.2443 -6.3081 -6.3047 -5.7179 -5.7114 -3.4691 -3.4604 -3.4341 -3.4279 -0.8772 -0.8720 -0.5175 -0.5129 0.2615 0.2665 0.7567 0.7609 1.4800 1.4839 2.0505 2.0561 2.3008 2.3056 2.5429 2.5497 12.6204 12.6243 12.7757 12.7870 12.9516 12.9595 13.4952 13.5019 k = 0.3485 0.3254 0.6067 ( 2363 PWs) bands (ev): -17.7748 -17.7747 -16.6152 -16.6117 -15.3760 -15.3710 -15.2463 -15.2447 -6.3161 -6.3129 -5.7047 -5.6983 -3.4661 -3.4572 -3.4304 -3.4243 -0.8873 -0.8824 -0.5015 -0.4972 0.2324 0.2371 0.7525 0.7570 1.4864 1.4901 2.0503 2.0558 2.2945 2.2994 2.5514 2.5584 12.6146 12.6179 12.7811 12.7924 12.9574 12.9652 13.5157 13.5226 k = 0.3561 0.3325 0.5970 ( 2361 PWs) bands (ev): -17.7764 -17.7763 -16.6131 -16.6096 -15.3760 -15.3711 -15.2472 -15.2454 -6.3214 -6.3182 -5.6932 -5.6869 -3.4632 -3.4543 -3.4264 -3.4204 -0.8964 -0.8916 -0.4871 -0.4832 0.2053 0.2096 0.7459 0.7506 1.4929 1.4964 2.0508 2.0561 2.2884 2.2935 2.5583 2.5653 12.6093 12.6123 12.7862 12.7973 12.9633 12.9711 13.5366 13.5435 k = 0.3636 0.3396 0.5874 ( 2360 PWs) bands (ev): -17.7776 -17.7775 -16.6113 -16.6079 -15.3759 -15.3711 -15.2484 -15.2464 -6.3237 -6.3207 -5.6835 -5.6774 -3.4606 -3.4518 -3.4223 -3.4165 -0.9043 -0.8995 -0.4748 -0.4715 0.1807 0.1847 0.7369 0.7419 1.4994 1.5026 2.0518 2.0569 2.2826 2.2880 2.5635 2.5706 12.6046 12.6073 12.7909 12.8016 12.9691 12.9770 13.5577 13.5646 k = 0.3712 0.3467 0.5777 ( 2361 PWs) bands (ev): -17.7784 -17.7783 -16.6100 -16.6067 -15.3758 -15.3712 -15.2499 -15.2476 -6.3231 -6.3202 -5.6757 -5.6697 -3.4583 -3.4498 -3.4180 -3.4125 -0.9109 -0.9061 -0.4653 -0.4625 0.1594 0.1631 0.7258 0.7310 1.5057 1.5088 2.0532 2.0581 2.2772 2.2829 2.5668 2.5740 12.6005 12.6030 12.7952 12.8052 12.9746 12.9825 13.5789 13.5859 k = 0.3788 0.3537 0.5680 ( 2359 PWs) bands (ev): -17.7788 -17.7788 -16.6091 -16.6058 -15.3757 -15.3713 -15.2516 -15.2491 -6.3195 -6.3167 -5.6698 -5.6639 -3.4564 -3.4482 -3.4137 -3.4085 -0.9160 -0.9113 -0.4591 -0.4570 0.1420 0.1456 0.7127 0.7182 1.5117 1.5147 2.0547 2.0596 2.2722 2.2782 2.5683 2.5757 12.5971 12.5994 12.7988 12.8081 12.9797 12.9875 13.6003 13.6072 k = 0.3864 0.3608 0.5583 ( 2355 PWs) bands (ev): -17.7788 -17.7788 -16.6086 -16.6053 -15.3756 -15.3713 -15.2536 -15.2509 -6.3129 -6.3101 -5.6659 -5.6600 -3.4549 -3.4470 -3.4094 -3.4046 -0.9197 -0.9149 -0.4569 -0.4552 0.1290 0.1326 0.6978 0.7035 1.5172 1.5201 2.0562 2.0610 2.2678 2.2741 2.5681 2.5757 12.5941 12.5964 12.8018 12.8102 12.9842 12.9920 13.6215 13.6285 k = 0.3939 0.3679 0.5486 ( 2358 PWs) bands (ev): -17.7785 -17.7784 -16.6085 -16.6053 -15.3755 -15.3714 -15.2559 -15.2529 -6.3033 -6.3005 -5.6638 -5.6580 -3.4539 -3.4463 -3.4054 -3.4009 -0.9218 -0.9169 -0.4591 -0.4574 0.1209 0.1247 0.6813 0.6871 1.5221 1.5250 2.0575 2.0624 2.2638 2.2705 2.5661 2.5739 12.5917 12.5941 12.8038 12.8113 12.9883 12.9959 13.6424 13.6493 k = 0.4015 0.3750 0.5390 ( 2360 PWs) bands (ev): -17.7777 -17.7777 -16.6089 -16.6056 -15.3754 -15.3714 -15.2584 -15.2552 -6.2907 -6.2880 -5.6636 -5.6579 -3.4532 -3.4460 -3.4016 -3.3974 -0.9223 -0.9172 -0.4657 -0.4636 0.1177 0.1219 0.6634 0.6694 1.5263 1.5293 2.0582 2.0633 2.2605 2.2675 2.5627 2.5707 12.5896 12.5922 12.8049 12.8114 12.9921 12.9996 13.6626 13.6694 k = 0.4091 0.3820 0.5293 ( 2358 PWs) bands (ev): -17.7766 -17.7766 -16.6096 -16.6063 -15.3752 -15.3715 -15.2612 -15.2577 -6.2751 -6.2724 -5.6654 -5.6597 -3.4530 -3.4461 -3.3982 -3.3942 -0.9212 -0.9159 -0.4764 -0.4737 0.1195 0.1242 0.6443 0.6504 1.5297 1.5328 2.0581 2.0634 2.2578 2.2652 2.5579 2.5661 12.5879 12.5907 12.8048 12.8104 12.9959 13.0033 13.6817 13.6884 k = 0.4167 0.3891 0.5196 ( 2358 PWs) bands (ev): -17.7752 -17.7751 -16.6106 -16.6073 -15.3750 -15.3715 -15.2641 -15.2605 -6.2566 -6.2539 -5.6691 -5.6634 -3.4533 -3.4467 -3.3953 -3.3915 -0.9185 -0.9129 -0.4908 -0.4874 0.1258 0.1310 0.6242 0.6303 1.5322 1.5355 2.0567 2.0625 2.2558 2.2636 2.5519 2.5604 12.5864 12.5896 12.8033 12.8081 13.0000 13.0072 13.6992 13.7058 k = 0.4242 0.3962 0.5099 ( 2350 PWs) bands (ev): -17.7735 -17.7735 -16.6119 -16.6086 -15.3748 -15.3715 -15.2673 -15.2634 -6.2353 -6.2325 -5.6746 -5.6689 -3.4540 -3.4477 -3.3928 -3.3892 -0.9141 -0.9083 -0.5081 -0.5039 0.1363 0.1419 0.6032 0.6095 1.5338 1.5372 2.0537 2.0600 2.2548 2.2630 2.5452 2.5538 12.5851 12.5886 12.8003 12.8046 13.0046 13.0118 13.7147 13.7212 k = 0.4318 0.4033 0.5002 ( 2350 PWs) bands (ev): -17.7716 -17.7716 -16.6135 -16.6102 -15.3746 -15.3715 -15.2706 -15.2665 -6.2112 -6.2085 -5.6820 -5.6763 -3.4551 -3.4491 -3.3910 -3.3875 -0.9083 -0.9020 -0.5275 -0.5227 0.1501 0.1561 0.5816 0.5879 1.5343 1.5380 2.0486 2.0554 2.2549 2.2634 2.5378 2.5467 12.5839 12.5877 12.7957 12.8001 13.0101 13.0173 13.7276 13.7341 k = 0.4394 0.4103 0.4906 ( 2348 PWs) bands (ev): -17.7696 -17.7695 -16.6152 -16.6118 -15.3743 -15.3715 -15.2739 -15.2697 -6.1846 -6.1819 -5.6911 -5.6853 -3.4568 -3.4509 -3.3898 -3.3863 -0.9011 -0.8943 -0.5484 -0.5428 0.1667 0.1731 0.5596 0.5659 1.5338 1.5376 2.0410 2.0484 2.2561 2.2648 2.5303 2.5394 12.5827 12.5868 12.7897 12.7945 13.0166 13.0238 13.7377 13.7441 k = 0.4470 0.4174 0.4809 ( 2344 PWs) bands (ev): -17.7675 -17.7674 -16.6170 -16.6136 -15.3741 -15.3715 -15.2774 -15.2729 -6.1557 -6.1529 -5.7019 -5.6959 -3.4588 -3.4532 -3.3893 -3.3858 -0.8926 -0.8853 -0.5698 -0.5635 0.1855 0.1922 0.5373 0.5436 1.5322 1.5362 2.0307 2.0385 2.2585 2.2675 2.5228 2.5322 12.5814 12.5859 12.7825 12.7880 13.0241 13.0314 13.7447 13.7510 k = 0.4545 0.4245 0.4712 ( 2340 PWs) bands (ev): -17.7654 -17.7653 -16.6188 -16.6153 -15.3738 -15.3715 -15.2808 -15.2762 -6.1246 -6.1218 -5.7141 -5.7080 -3.4614 -3.4559 -3.3895 -3.3860 -0.8832 -0.8751 -0.5912 -0.5841 0.2059 0.2129 0.5150 0.5212 1.5295 1.5336 2.0173 2.0254 2.2623 2.2714 2.5157 2.5252 12.5799 12.5847 12.7747 12.7809 13.0326 13.0401 13.7482 13.7545 k = 0.4621 0.4316 0.4615 ( 2344 PWs) bands (ev): -17.7634 -17.7633 -16.6205 -16.6169 -15.3735 -15.3716 -15.2842 -15.2794 -6.0918 -6.0891 -5.7275 -5.7212 -3.4643 -3.4590 -3.3904 -3.3868 -0.8732 -0.8642 -0.6117 -0.6036 0.2273 0.2346 0.4929 0.4990 1.5255 1.5297 2.0007 2.0090 2.2674 2.2765 2.5092 2.5189 12.5783 12.5833 12.7665 12.7734 13.0420 13.0495 13.7483 13.7546 k = 0.4697 0.4386 0.4518 ( 2348 PWs) bands (ev): -17.7617 -17.7616 -16.6219 -16.6183 -15.3732 -15.3716 -15.2875 -15.2826 -6.0579 -6.0553 -5.7416 -5.7350 -3.4678 -3.4625 -3.3922 -3.3885 -0.8631 -0.8530 -0.6303 -0.6212 0.2491 0.2567 0.4714 0.4774 1.5203 1.5246 1.9810 1.9893 2.2737 2.2827 2.5036 2.5134 12.5765 12.5817 12.7583 12.7658 13.0521 13.0597 13.7450 13.7513 k = 0.4773 0.4457 0.4422 ( 2346 PWs) bands (ev): -17.7603 -17.7602 -16.6230 -16.6193 -15.3730 -15.3717 -15.2907 -15.2857 -6.0239 -6.0215 -5.7555 -5.7486 -3.4716 -3.4665 -3.3947 -3.3909 -0.8537 -0.8423 -0.6462 -0.6358 0.2704 0.2784 0.4511 0.4570 1.5138 1.5182 1.9584 1.9667 2.2810 2.2899 2.4988 2.5087 12.5746 12.5798 12.7503 12.7584 13.0626 13.0702 13.7385 13.7447 k = 0.4848 0.4528 0.4325 ( 2346 PWs) bands (ev): -17.7593 -17.7592 -16.6235 -16.6198 -15.3727 -15.3718 -15.2938 -15.2887 -5.9916 -5.9895 -5.7675 -5.7600 -3.4759 -3.4708 -3.3980 -3.3941 -0.8458 -0.8331 -0.6579 -0.6463 0.2899 0.2984 0.4333 0.4390 1.5058 1.5102 1.9331 1.9413 2.2893 2.2980 2.4951 2.5050 12.5725 12.5777 12.7427 12.7513 13.0732 13.0808 13.7288 13.7350 k = 0.4924 0.4599 0.4228 ( 2348 PWs) bands (ev): -17.7589 -17.7587 -16.6235 -16.6197 -15.3724 -15.3718 -15.2966 -15.2915 -5.9647 -5.9629 -5.7742 -5.7662 -3.4807 -3.4756 -3.4022 -3.3982 -0.8404 -0.8267 -0.6640 -0.6514 0.3052 0.3142 0.4201 0.4256 1.4961 1.5006 1.9056 1.9136 2.2983 2.3068 2.4923 2.5023 12.5702 12.5755 12.7358 12.7448 13.0838 13.0913 13.7162 13.7224 k = 0.5000 0.4669 0.4131 ( 2346 PWs) bands (ev): -17.7591 -17.7590 -16.6226 -16.6188 -15.3722 -15.3718 -15.2993 -15.2940 -5.9484 -5.9467 -5.7703 -5.7619 -3.4859 -3.4808 -3.4071 -3.4030 -0.8381 -0.8241 -0.6635 -0.6506 0.3122 0.3216 0.4156 0.4211 1.4846 1.4892 1.8765 1.8843 2.3079 2.3162 2.4904 2.5005 12.5679 12.5731 12.7296 12.7389 13.0939 13.1013 13.7010 13.7072 k = 0.5000 0.4669 0.4131 ( 2346 PWs) bands (ev): -17.7591 -17.7590 -16.6226 -16.6188 -15.3722 -15.3718 -15.2993 -15.2940 -5.9484 -5.9467 -5.7703 -5.7619 -3.4859 -3.4808 -3.4071 -3.4030 -0.8381 -0.8241 -0.6635 -0.6506 0.3122 0.3216 0.4156 0.4211 1.4846 1.4892 1.8765 1.8843 2.3079 2.3162 2.4904 2.5005 12.5679 12.5731 12.7296 12.7389 13.0939 13.1013 13.7010 13.7072 k = 0.5000 0.4669 0.3989 ( 2346 PWs) bands (ev): -17.7601 -17.7600 -16.6206 -16.6168 -15.3721 -15.3717 -15.3029 -15.2977 -5.9349 -5.9331 -5.7543 -5.7457 -3.4936 -3.4886 -3.4150 -3.4107 -0.8364 -0.8224 -0.6571 -0.6441 0.3147 0.3240 0.4170 0.4224 1.4649 1.4697 1.8318 1.8394 2.3228 2.3309 2.4890 2.4990 12.5651 12.5701 12.7213 12.7310 13.1080 13.1153 13.6763 13.6826 k = 0.5000 0.4669 0.3846 ( 2344 PWs) bands (ev): -17.7611 -17.7610 -16.6187 -16.6148 -15.3719 -15.3715 -15.3066 -15.3013 -5.9217 -5.9199 -5.7384 -5.7296 -3.5007 -3.4958 -3.4227 -3.4183 -0.8336 -0.8195 -0.6495 -0.6366 0.3168 0.3262 0.4180 0.4232 1.4429 1.4479 1.7857 1.7931 2.3383 2.3461 2.4887 2.4986 12.5632 12.5680 12.7134 12.7235 13.1212 13.1284 13.6509 13.6572 k = 0.5000 0.4669 0.3704 ( 2348 PWs) bands (ev): -17.7622 -17.7621 -16.6167 -16.6128 -15.3717 -15.3712 -15.3102 -15.3049 -5.9089 -5.9071 -5.7226 -5.7137 -3.5073 -3.5024 -3.4302 -3.4257 -0.8295 -0.8155 -0.6408 -0.6279 0.3187 0.3280 0.4184 0.4236 1.4186 1.4238 1.7384 1.7457 2.3542 2.3616 2.4895 2.4993 12.5624 12.5671 12.7062 12.7166 13.1333 13.1404 13.6248 13.6311 k = 0.5000 0.4669 0.3561 ( 2342 PWs) bands (ev): -17.7632 -17.7631 -16.6148 -16.6109 -15.3714 -15.3709 -15.3137 -15.3084 -5.8965 -5.8947 -5.7070 -5.6981 -3.5131 -3.5083 -3.4374 -3.4328 -0.8242 -0.8103 -0.6308 -0.6179 0.3202 0.3294 0.4184 0.4234 1.3920 1.3973 1.6902 1.6973 2.3703 2.3775 2.4916 2.5012 12.5628 12.5674 12.6998 12.7105 13.1441 13.1511 13.5981 13.6044 k = 0.5000 0.4669 0.3419 ( 2346 PWs) bands (ev): -17.7643 -17.7642 -16.6129 -16.6090 -15.3710 -15.3705 -15.3172 -15.3119 -5.8847 -5.8828 -5.6918 -5.6828 -3.5183 -3.5135 -3.4443 -3.4397 -0.8177 -0.8038 -0.6195 -0.6067 0.3213 0.3305 0.4179 0.4227 1.3632 1.3686 1.6412 1.6481 2.3864 2.3934 2.4947 2.5042 12.5643 12.5688 12.6942 12.7052 13.1532 13.1603 13.5710 13.5773 k = 0.5000 0.4669 0.3276 ( 2346 PWs) bands (ev): -17.7654 -17.7653 -16.6110 -16.6071 -15.3706 -15.3701 -15.3206 -15.3153 -5.8733 -5.8715 -5.6769 -5.6679 -3.5227 -3.5180 -3.4509 -3.4462 -0.8099 -0.7960 -0.6069 -0.5941 0.3221 0.3313 0.4170 0.4216 1.3321 1.3376 1.5916 1.5984 2.4027 2.4093 2.4989 2.5081 12.5670 12.5715 12.6895 12.7007 13.1606 13.1678 13.5436 13.5498 k = 0.5000 0.4669 0.3134 ( 2348 PWs) bands (ev): -17.7665 -17.7664 -16.6092 -16.6053 -15.3702 -15.3697 -15.3238 -15.3187 -5.8626 -5.8607 -5.6625 -5.6535 -3.5263 -3.5218 -3.4571 -3.4524 -0.8009 -0.7871 -0.5929 -0.5802 0.3225 0.3317 0.4156 0.4199 1.2990 1.3046 1.5417 1.5485 2.4188 2.4252 2.5039 2.5129 12.5710 12.5754 12.6858 12.6972 13.1660 13.1733 13.5160 13.5221 k = 0.5000 0.4669 0.2992 ( 2336 PWs) bands (ev): -17.7676 -17.7675 -16.6074 -16.6036 -15.3698 -15.3692 -15.3270 -15.3219 -5.8525 -5.8506 -5.6485 -5.6396 -3.5292 -3.5249 -3.4629 -3.4582 -0.7906 -0.7768 -0.5775 -0.5648 0.3224 0.3317 0.4137 0.4178 1.2639 1.2695 1.4918 1.4984 2.4348 2.4409 2.5098 2.5185 12.5762 12.5806 12.6832 12.6948 13.1694 13.1769 13.4884 13.4942 k = 0.5000 0.4669 0.2849 ( 2340 PWs) bands (ev): -17.7687 -17.7686 -16.6057 -16.6019 -15.3693 -15.3687 -15.3301 -15.3251 -5.8430 -5.8412 -5.6351 -5.6262 -3.5314 -3.5272 -3.4683 -3.4637 -0.7791 -0.7654 -0.5607 -0.5481 0.3220 0.3312 0.4113 0.4152 1.2268 1.2325 1.4420 1.4485 2.4506 2.4564 2.5164 2.5248 12.5826 12.5871 12.6817 12.6934 13.1707 13.1784 13.4607 13.4663 k = 0.5000 0.4669 0.2707 ( 2340 PWs) bands (ev): -17.7698 -17.7697 -16.6040 -16.6003 -15.3687 -15.3682 -15.3330 -15.3282 -5.8343 -5.8324 -5.6222 -5.6135 -3.5329 -3.5289 -3.4732 -3.4687 -0.7664 -0.7528 -0.5424 -0.5299 0.3211 0.3304 0.4085 0.4122 1.1879 1.1937 1.3928 1.3991 2.4660 2.4716 2.5236 2.5316 12.5903 12.5948 12.6813 12.6931 13.1697 13.1778 13.4331 13.4385 k = 0.5000 0.4669 0.2564 ( 2336 PWs) bands (ev): -17.7708 -17.7708 -16.6024 -16.5987 -15.3682 -15.3676 -15.3358 -15.3311 -5.8262 -5.8244 -5.6099 -5.6014 -3.5337 -3.5298 -3.4777 -3.4733 -0.7525 -0.7390 -0.5226 -0.5102 0.3198 0.3292 0.4052 0.4086 1.1474 1.1530 1.3443 1.3504 2.4812 2.4864 2.5312 2.5389 12.5992 12.6038 12.6821 12.6940 13.1666 13.1750 13.4058 13.4109 k = 0.5000 0.4669 0.2422 ( 2338 PWs) bands (ev): -17.7719 -17.7718 -16.6008 -16.5973 -15.3677 -15.3670 -15.3384 -15.3340 -5.8188 -5.8170 -5.5983 -5.5899 -3.5338 -3.5302 -3.4817 -3.4775 -0.7375 -0.7242 -0.5014 -0.4891 0.3180 0.3275 0.4014 0.4047 1.1052 1.1108 1.2969 1.3027 2.4958 2.5008 2.5392 2.5465 12.6093 12.6139 12.6841 12.6961 13.1613 13.1701 13.3788 13.3836 k = 0.5000 0.4669 0.2279 ( 2340 PWs) bands (ev): -17.7729 -17.7728 -16.5993 -16.5959 -15.3671 -15.3664 -15.3409 -15.3367 -5.8120 -5.8104 -5.5873 -5.5792 -3.5333 -3.5300 -3.4853 -3.4812 -0.7215 -0.7083 -0.4787 -0.4665 0.3156 0.3252 0.3971 0.4003 1.0616 1.0670 1.2508 1.2564 2.5100 2.5147 2.5474 2.5543 12.6204 12.6252 12.6873 12.6993 13.1539 13.1631 13.3521 13.3566 k = 0.5000 0.4669 0.2137 ( 2340 PWs) bands (ev): -17.7739 -17.7738 -16.5979 -16.5946 -15.3665 -15.3658 -15.3432 -15.3392 -5.8060 -5.8044 -5.5769 -5.5692 -3.5323 -3.5293 -3.4884 -3.4846 -0.7045 -0.6916 -0.4545 -0.4424 0.3127 0.3225 0.3923 0.3955 1.0168 1.0219 1.2064 1.2116 2.5237 2.5281 2.5557 2.5621 12.6326 12.6376 12.6917 12.7036 13.1445 13.1542 13.3259 13.3301 k = 0.5000 0.4669 0.1994 ( 2340 PWs) bands (ev): -17.7749 -17.7748 -16.5965 -16.5934 -15.3660 -15.3652 -15.3454 -15.3416 -5.8005 -5.7990 -5.5673 -5.5598 -3.5309 -3.5282 -3.4910 -3.4876 -0.6867 -0.6741 -0.4288 -0.4169 0.3092 0.3192 0.3870 0.3903 0.9710 0.9758 1.1639 1.1688 2.5367 2.5408 2.5640 2.5700 12.6458 12.6510 12.6973 12.7091 13.1333 13.1435 13.3002 13.3041 k = 0.5000 0.4669 0.1852 ( 2342 PWs) bands (ev): -17.7758 -17.7758 -16.5953 -16.5923 -15.3655 -15.3647 -15.3473 -15.3439 -5.7957 -5.7943 -5.5583 -5.5512 -3.5291 -3.5267 -3.4933 -3.4901 -0.6683 -0.6559 -0.4018 -0.3899 0.3051 0.3153 0.3810 0.3847 0.9245 0.9290 1.1235 1.1280 2.5491 2.5529 2.5723 2.5777 12.6598 12.6653 12.7042 12.7157 13.1203 13.1310 13.2751 13.2786 k = 0.5000 0.4669 0.1709 ( 2338 PWs) bands (ev): -17.7767 -17.7766 -16.5941 -16.5913 -15.3650 -15.3641 -15.3491 -15.3460 -5.7915 -5.7901 -5.5501 -5.5434 -3.5269 -3.5250 -3.4951 -3.4923 -0.6493 -0.6372 -0.3733 -0.3616 0.3003 0.3107 0.3744 0.3787 0.8777 0.8819 1.0853 1.0894 2.5608 2.5642 2.5803 2.5853 12.6746 12.6805 12.7123 12.7234 13.1058 13.1170 13.2505 13.2537 k = 0.5000 0.4669 0.1567 ( 2340 PWs) bands (ev): -17.7775 -17.7775 -16.5929 -16.5904 -15.3645 -15.3636 -15.3507 -15.3480 -5.7878 -5.7865 -5.5425 -5.5362 -3.5246 -3.5231 -3.4966 -3.4942 -0.6299 -0.6183 -0.3436 -0.3321 0.2948 0.3053 0.3671 0.3721 0.8310 0.8349 1.0496 1.0534 2.5718 2.5748 2.5880 2.5925 12.6900 12.6964 12.7215 12.7322 13.0900 13.1017 13.2264 13.2295 k = 0.5000 0.4669 0.1425 ( 2348 PWs) bands (ev): -17.7783 -17.7783 -16.5919 -16.5895 -15.3641 -15.3631 -15.3522 -15.3498 -5.7846 -5.7834 -5.5356 -5.5298 -3.5222 -3.5211 -3.4977 -3.4958 -0.6104 -0.5993 -0.3127 -0.3013 0.2887 0.2993 0.3590 0.3648 0.7850 0.7886 1.0165 1.0200 2.5819 2.5846 2.5954 2.5994 12.7057 12.7130 12.7321 12.7420 13.0731 13.0853 13.2030 13.2059 k = 0.5000 0.4669 0.1282 ( 2352 PWs) bands (ev): -17.7790 -17.7790 -16.5910 -16.5888 -15.3638 -15.3627 -15.3534 -15.3514 -5.7818 -5.7807 -5.5294 -5.5241 -3.5197 -3.5191 -3.4985 -3.4970 -0.5911 -0.5805 -0.2808 -0.2696 0.2820 0.2925 0.3500 0.3566 0.7404 0.7436 0.9862 0.9894 2.5912 2.5935 2.6023 2.6058 12.7215 12.7300 12.7440 12.7527 13.0555 13.0679 13.1801 13.1829 k = 0.5000 0.4669 0.1140 ( 2352 PWs) bands (ev): -17.7797 -17.7796 -16.5901 -16.5881 -15.3635 -15.3623 -15.3544 -15.3528 -5.7795 -5.7785 -5.5238 -5.5190 -3.5174 -3.5171 -3.4990 -3.4978 -0.5722 -0.5623 -0.2480 -0.2370 0.2749 0.2851 0.3398 0.3473 0.6977 0.7008 0.9587 0.9617 2.5996 2.6016 2.6088 2.6117 12.7372 12.7473 12.7573 12.7643 13.0372 13.0500 13.1579 13.1607 k = 0.5000 0.4669 0.0997 ( 2356 PWs) bands (ev): -17.7803 -17.7802 -16.5893 -16.5876 -15.3633 -15.3620 -15.3552 -15.3540 -5.7775 -5.7766 -5.5189 -5.5147 -3.5155 -3.5150 -3.4993 -3.4984 -0.5540 -0.5449 -0.2146 -0.2039 0.2676 0.2772 0.3281 0.3364 0.6578 0.6608 0.9343 0.9370 2.6071 2.6088 2.6147 2.6171 12.7526 12.7646 12.7719 12.7768 13.0187 13.0316 13.1364 13.1392 k = 0.5000 0.4669 0.0855 ( 2366 PWs) bands (ev): -17.7808 -17.7807 -16.5886 -16.5871 -15.3632 -15.3619 -15.3558 -15.3550 -5.7759 -5.7751 -5.5146 -5.5110 -3.5140 -3.5131 -3.4995 -3.4985 -0.5369 -0.5287 -0.1810 -0.1707 0.2603 0.2691 0.3147 0.3236 0.6217 0.6246 0.9130 0.9154 2.6136 2.6150 2.6200 2.6219 12.7677 12.7816 12.7873 12.7901 13.0001 13.0130 13.1159 13.1185 k = 0.5000 0.4669 0.0712 ( 2366 PWs) bands (ev): -17.7812 -17.7812 -16.5880 -16.5867 -15.3631 -15.3618 -15.3563 -15.3558 -5.7746 -5.7739 -5.5110 -5.5079 -3.5127 -3.5116 -3.4995 -3.4984 -0.5213 -0.5142 -0.1478 -0.1381 0.2533 0.2611 0.2994 0.3086 0.5904 0.5932 0.8950 0.8970 2.6190 2.6203 2.6245 2.6261 12.7826 12.7977 12.8031 12.8042 12.9817 12.9945 13.0965 13.0991 k = 0.5000 0.4669 0.0570 ( 2368 PWs) bands (ev): -17.7816 -17.7816 -16.5875 -16.5865 -15.3631 -15.3619 -15.3566 -15.3563 -5.7735 -5.7730 -5.5080 -5.5055 -3.5117 -3.5104 -3.4992 -3.4981 -0.5076 -0.5017 -0.1159 -0.1069 0.2470 0.2535 0.2825 0.2917 0.5646 0.5672 0.8802 0.8819 2.6234 2.6246 2.6284 2.6296 12.7972 12.8125 12.8185 12.8187 12.9640 12.9763 13.0788 13.0811 k = 0.5000 0.4669 0.0427 ( 2362 PWs) bands (ev): -17.7819 -17.7818 -16.5870 -16.5863 -15.3630 -15.3621 -15.3568 -15.3567 -5.7727 -5.7723 -5.5056 -5.5037 -3.5109 -3.5097 -3.4988 -3.4978 -0.4963 -0.4917 -0.0864 -0.0786 0.2417 0.2467 0.2653 0.2737 0.5448 0.5470 0.8688 0.8701 2.6269 2.6279 2.6314 2.6324 12.8116 12.8257 12.8326 12.8328 12.9475 12.9589 13.0633 13.0653 k = 0.5000 0.4669 0.0285 ( 2358 PWs) bands (ev): -17.7821 -17.7821 -16.5867 -16.5862 -15.3630 -15.3623 -15.3569 -15.3569 -5.7721 -5.7719 -5.5038 -5.5025 -3.5102 -3.5094 -3.4984 -3.4976 -0.4876 -0.4844 -0.0614 -0.0555 0.2377 0.2410 0.2501 0.2568 0.5311 0.5327 0.8607 0.8616 2.6294 2.6302 2.6338 2.6345 12.8249 12.8363 12.8448 12.8452 12.9333 12.9430 13.0510 13.0526 k = 0.5000 0.4669 0.0142 ( 2354 PWs) bands (ev): -17.7822 -17.7822 -16.5864 -16.5862 -15.3629 -15.3625 -15.3570 -15.3570 -5.7718 -5.7716 -5.5026 -5.5019 -3.5097 -3.5093 -3.4979 -3.4975 -0.4819 -0.4803 -0.0436 -0.0403 0.2344 0.2361 0.2408 0.2444 0.5233 0.5241 0.8559 0.8564 2.6310 2.6314 2.6353 2.6356 12.8358 12.8423 12.8537 12.8543 12.9239 12.9299 13.0431 13.0440 k = 0.5000 0.4669-0.0000 ( 2354 PWs) bands (ev): -17.7822 -17.7822 -16.5862 -16.5862 -15.3627 -15.3627 -15.3570 -15.3570 -5.7716 -5.7716 -5.5020 -5.5020 -3.5094 -3.5094 -3.4977 -3.4977 -0.4795 -0.4795 -0.0360 -0.0360 0.2329 0.2329 0.2395 0.2395 0.5209 0.5209 0.8545 0.8545 2.6316 2.6316 2.6359 2.6359 12.8422 12.8422 12.8575 12.8575 12.9225 12.9225 13.0407 13.0407 k = 0.0000 0.0000 0.7326 ( 2348 PWs) bands (ev): -17.7477 -17.7477 -16.6492 -16.6492 -15.3695 -15.3695 -15.2436 -15.2436 -6.1577 -6.1577 -6.0001 -6.0001 -3.3246 -3.3246 -3.2921 -3.2921 -0.7361 -0.7361 -0.6654 -0.6654 0.2525 0.2525 0.3359 0.3359 1.5729 1.5729 2.0503 2.0503 2.5535 2.5535 2.5593 2.5593 12.6400 12.6400 12.8312 12.8312 12.9773 12.9773 13.9447 13.9447 k = 0.0104 0.0097 0.7326 ( 2352 PWs) bands (ev): -17.7477 -17.7477 -16.6493 -16.6490 -15.3697 -15.3693 -15.2436 -15.2436 -6.1574 -6.1573 -6.0002 -5.9996 -3.3254 -3.3250 -3.2932 -3.2927 -0.7364 -0.7353 -0.6665 -0.6652 0.2533 0.2546 0.3368 0.3375 1.5725 1.5727 2.0503 2.0504 2.5527 2.5530 2.5585 2.5590 12.6401 12.6404 12.8296 12.8315 12.9766 12.9774 13.9388 13.9396 k = 0.0208 0.0195 0.7326 ( 2350 PWs) bands (ev): -17.7477 -17.7477 -16.6494 -16.6489 -15.3700 -15.3692 -15.2436 -15.2436 -6.1566 -6.1565 -5.9998 -5.9986 -3.3272 -3.3265 -3.2960 -3.2950 -0.7360 -0.7340 -0.6685 -0.6659 0.2568 0.2594 0.3400 0.3414 1.5713 1.5717 2.0504 2.0507 2.5507 2.5512 2.5564 2.5574 12.6408 12.6414 12.8269 12.8307 12.9752 12.9769 13.9228 13.9243 k = 0.0312 0.0292 0.7326 ( 2354 PWs) bands (ev): -17.7477 -17.7476 -16.6495 -16.6487 -15.3703 -15.3691 -15.2437 -15.2437 -6.1553 -6.1550 -5.9990 -5.9971 -3.3303 -3.3292 -3.3005 -3.2990 -0.7351 -0.7321 -0.6713 -0.6675 0.2631 0.2669 0.3455 0.3476 1.5694 1.5700 2.0508 2.0512 2.5473 2.5482 2.5532 2.5546 12.6421 12.6431 12.8230 12.8286 12.9733 12.9758 13.8985 13.9006 k = 0.0417 0.0389 0.7326 ( 2350 PWs) bands (ev): -17.7476 -17.7476 -16.6496 -16.6485 -15.3706 -15.3690 -15.2438 -15.2438 -6.1534 -6.1531 -5.9977 -5.9952 -3.3344 -3.3329 -3.3065 -3.3046 -0.7337 -0.7297 -0.6749 -0.6699 0.2718 0.2769 0.3534 0.3561 1.5667 1.5675 2.0513 2.0518 2.5428 2.5440 2.5489 2.5507 12.6441 12.6453 12.8180 12.8254 12.9709 12.9742 13.8683 13.8708 k = 0.0521 0.0486 0.7326 ( 2350 PWs) bands (ev): -17.7476 -17.7476 -16.6496 -16.6483 -15.3709 -15.3690 -15.2439 -15.2439 -6.1511 -6.1506 -5.9960 -5.9929 -3.3394 -3.3376 -3.3140 -3.3117 -0.7318 -0.7268 -0.6791 -0.6731 0.2830 0.2892 0.3634 0.3668 1.5634 1.5644 2.0519 2.0526 2.5370 2.5386 2.5435 2.5458 12.6466 12.6481 12.8120 12.8210 12.9681 12.9722 13.8341 13.8369 k = 0.0625 0.0584 0.7326 ( 2358 PWs) bands (ev): -17.7475 -17.7475 -16.6496 -16.6481 -15.3713 -15.3690 -15.2440 -15.2440 -6.1483 -6.1477 -5.9940 -5.9903 -3.3455 -3.3433 -3.3228 -3.3200 -0.7296 -0.7236 -0.6838 -0.6768 0.2963 0.3035 0.3755 0.3795 1.5593 1.5605 2.0527 2.0536 2.5300 2.5320 2.5373 2.5398 12.6496 12.6515 12.8049 12.8156 12.9649 12.9698 13.7974 13.8004 k = 0.0729 0.0681 0.7326 ( 2362 PWs) bands (ev): -17.7475 -17.7475 -16.6496 -16.6478 -15.3717 -15.3690 -15.2442 -15.2442 -6.1450 -6.1444 -5.9915 -5.9873 -3.3524 -3.3498 -3.3328 -3.3296 -0.7271 -0.7201 -0.6889 -0.6811 0.3115 0.3197 0.3895 0.3941 1.5545 1.5559 2.0537 2.0548 2.5219 2.5243 2.5301 2.5331 12.6533 12.6555 12.7970 12.8091 12.9616 12.9671 13.7593 13.7624 k = 0.0833 0.0778 0.7326 ( 2358 PWs) bands (ev): -17.7474 -17.7474 -16.6496 -16.6476 -15.3720 -15.3691 -15.2444 -15.2444 -6.1414 -6.1407 -5.9888 -5.9840 -3.3600 -3.3570 -3.3437 -3.3400 -0.7244 -0.7164 -0.6941 -0.6857 0.3283 0.3374 0.4054 0.4105 1.5490 1.5507 2.0549 2.0561 2.5128 2.5157 2.5223 2.5256 12.6576 12.6601 12.7883 12.8018 12.9582 12.9642 13.7208 13.7239 k = 0.0938 0.0876 0.7326 ( 2354 PWs) bands (ev): -17.7474 -17.7474 -16.6496 -16.6473 -15.3725 -15.3691 -15.2445 -15.2445 -6.1375 -6.1368 -5.9858 -5.9804 -3.3683 -3.3650 -3.3552 -3.3512 -0.7219 -0.7127 -0.6991 -0.6905 0.3464 0.3563 0.4229 0.4284 1.5429 1.5448 2.0563 2.0577 2.5028 2.5061 2.5139 2.5175 12.6624 12.6653 12.7791 12.7938 12.9548 12.9612 13.6823 13.6855 k = 0.1042 0.0973 0.7326 ( 2354 PWs) bands (ev): -17.7473 -17.7473 -16.6496 -16.6471 -15.3729 -15.3692 -15.2447 -15.2447 -6.1334 -6.1325 -5.9826 -5.9767 -3.3772 -3.3739 -3.3669 -3.3628 -0.7200 -0.7091 -0.7035 -0.6952 0.3654 0.3760 0.4417 0.4477 1.5361 1.5382 2.0578 2.0595 2.4919 2.4958 2.5051 2.5090 12.6677 12.6710 12.7693 12.7851 12.9513 12.9582 13.6444 13.6475 k = 0.1146 0.1070 0.7326 ( 2354 PWs) bands (ev): -17.7473 -17.7472 -16.6495 -16.6468 -15.3733 -15.3693 -15.2449 -15.2449 -6.1291 -6.1281 -5.9793 -5.9728 -3.3867 -3.3841 -3.3778 -3.3744 -0.7199 -0.7064 -0.7060 -0.6991 0.3850 0.3964 0.4617 0.4681 1.5287 1.5310 2.0595 2.0614 2.4804 2.4848 2.4958 2.5001 12.6736 12.6772 12.7593 12.7761 12.9480 12.9552 13.6073 13.6104 k = 0.1250 0.1167 0.7326 ( 2356 PWs) bands (ev): -17.7472 -17.7472 -16.6495 -16.6466 -15.3737 -15.3694 -15.2451 -15.2451 -6.1247 -6.1237 -5.9758 -5.9689 -3.3969 -3.3959 -3.3876 -3.3858 -0.7224 -0.7077 -0.7057 -0.6989 0.4049 0.4169 0.4825 0.4893 1.5208 1.5233 2.0614 2.0636 2.4684 2.4734 2.4865 2.4910 12.6799 12.6839 12.7492 12.7668 12.9448 12.9522 13.5715 13.5744 k = 0.1354 0.1265 0.7326 ( 2356 PWs) bands (ev): -17.7471 -17.7471 -16.6494 -16.6463 -15.3741 -15.3696 -15.2453 -15.2453 -6.1202 -6.1191 -5.9723 -5.9650 -3.4083 -3.4076 -3.3966 -3.3965 -0.7265 -0.7118 -0.7038 -0.6959 0.4248 0.4374 0.5039 0.5109 1.5125 1.5152 2.0635 2.0660 2.4560 2.4616 2.4771 2.4819 12.6865 12.6910 12.7392 12.7574 12.9417 12.9494 13.5371 13.5399 k = 0.1458 0.1362 0.7326 ( 2348 PWs) bands (ev): -17.7471 -17.7470 -16.6493 -16.6461 -15.3745 -15.3697 -15.2455 -15.2455 -6.1158 -6.1147 -5.9689 -5.9611 -3.4207 -3.4188 -3.4064 -3.4052 -0.7309 -0.7163 -0.7012 -0.6926 0.4443 0.4574 0.5255 0.5328 1.5038 1.5067 2.0657 2.0685 2.4435 2.4497 2.4678 2.4729 12.6934 12.6984 12.7296 12.7482 12.9389 12.9466 13.5044 13.5071 k = 0.1562 0.1459 0.7326 ( 2360 PWs) bands (ev): -17.7470 -17.7470 -16.6493 -16.6459 -15.3749 -15.3699 -15.2457 -15.2457 -6.1116 -6.1103 -5.9656 -5.9573 -3.4327 -3.4299 -3.4155 -3.4134 -0.7353 -0.7205 -0.6986 -0.6894 0.4631 0.4766 0.5469 0.5544 1.4949 1.4980 2.0680 2.0712 2.4311 2.4378 2.4588 2.4642 12.7001 12.7060 12.7206 12.7393 12.9362 12.9441 13.4737 13.4762 k = 0.1667 0.1556 0.7326 ( 2370 PWs) bands (ev): -17.7469 -17.7469 -16.6492 -16.6457 -15.3752 -15.3700 -15.2459 -15.2459 -6.1075 -6.1062 -5.9624 -5.9538 -3.4441 -3.4407 -3.4239 -3.4212 -0.7395 -0.7245 -0.6961 -0.6864 0.4809 0.4948 0.5677 0.5754 1.4859 1.4893 2.0704 2.0739 2.4189 2.4263 2.4502 2.4559 12.7048 12.7136 12.7142 12.7309 12.9338 12.9417 13.4451 13.4474 k = 0.1771 0.1654 0.7326 ( 2376 PWs) bands (ev): -17.7469 -17.7468 -16.6492 -16.6455 -15.3755 -15.3701 -15.2460 -15.2460 -6.1037 -6.1024 -5.9594 -5.9505 -3.4546 -3.4508 -3.4316 -3.4284 -0.7433 -0.7281 -0.6937 -0.6837 0.4974 0.5117 0.5876 0.5954 1.4772 1.4807 2.0728 2.0767 2.4073 2.4152 2.4423 2.4481 12.7010 12.7171 12.7208 12.7235 12.9316 12.9395 13.4190 13.4211 k = 0.1875 0.1751 0.7326 ( 2382 PWs) bands (ev): -17.7468 -17.7468 -16.6491 -16.6453 -15.3758 -15.3703 -15.2462 -15.2462 -6.1003 -6.0989 -5.9567 -5.9475 -3.4641 -3.4600 -3.4384 -3.4348 -0.7466 -0.7313 -0.6916 -0.6813 0.5123 0.5269 0.6060 0.6140 1.4688 1.4725 2.0752 2.0795 2.3965 2.4050 2.4351 2.4411 12.6943 12.7160 12.7234 12.7285 12.9296 12.9376 13.3955 13.3974 k = 0.1979 0.1848 0.7326 ( 2382 PWs) bands (ev): -17.7468 -17.7467 -16.6491 -16.6452 -15.3760 -15.3704 -15.2463 -15.2463 -6.0972 -6.0958 -5.9543 -5.9449 -3.4724 -3.4681 -3.4443 -3.4405 -0.7495 -0.7341 -0.6898 -0.6792 0.5254 0.5402 0.6226 0.6307 1.4611 1.4649 2.0775 2.0822 2.3867 2.3958 2.4288 2.4350 12.6881 12.7099 12.7296 12.7352 12.9280 12.9360 13.3750 13.3767 k = 0.2083 0.1946 0.7326 ( 2382 PWs) bands (ev): -17.7468 -17.7467 -16.6490 -16.6451 -15.3763 -15.3705 -15.2464 -15.2464 -6.0947 -6.0932 -5.9523 -5.9426 -3.4794 -3.4749 -3.4493 -3.4453 -0.7519 -0.7364 -0.6882 -0.6775 0.5365 0.5515 0.6369 0.6451 1.4542 1.4582 2.0795 2.0846 2.3782 2.3878 2.4234 2.4298 12.6828 12.7048 12.7352 12.7412 12.9266 12.9346 13.3577 13.3593 k = 0.2188 0.2043 0.7326 ( 2390 PWs) bands (ev): -17.7467 -17.7467 -16.6490 -16.6450 -15.3764 -15.3705 -15.2465 -15.2465 -6.0926 -6.0911 -5.9507 -5.9409 -3.4850 -3.4803 -3.4533 -3.4491 -0.7538 -0.7382 -0.6870 -0.6761 0.5453 0.5604 0.6485 0.6568 1.4486 1.4526 2.0812 2.0866 2.3713 2.3813 2.4191 2.4257 12.6786 12.7006 12.7398 12.7461 12.9255 12.9335 13.3439 13.3453 k = 0.2292 0.2140 0.7326 ( 2386 PWs) bands (ev): -17.7467 -17.7467 -16.6489 -16.6449 -15.3765 -15.3706 -15.2466 -15.2466 -6.0911 -6.0896 -5.9495 -5.9396 -3.4890 -3.4843 -3.4562 -3.4518 -0.7551 -0.7395 -0.6861 -0.6752 0.5517 0.5670 0.6571 0.6654 1.4443 1.4485 2.0826 2.0882 2.3662 2.3765 2.4160 2.4227 12.6756 12.6977 12.7434 12.7499 12.9247 12.9328 13.3339 13.3351 k = 0.2396 0.2237 0.7326 ( 2394 PWs) bands (ev): -17.7467 -17.7466 -16.6489 -16.6449 -15.3766 -15.3706 -15.2466 -15.2466 -6.0902 -6.0887 -5.9488 -5.9388 -3.4915 -3.4867 -3.4579 -3.4535 -0.7560 -0.7403 -0.6856 -0.6746 0.5556 0.5709 0.6624 0.6707 1.4417 1.4459 2.0834 2.0891 2.3630 2.3735 2.4141 2.4208 12.6737 12.6959 12.7456 12.7522 12.9242 12.9323 13.3278 13.3290 k = 0.2500 0.2335 0.7326 ( 2400 PWs) bands (ev): -17.7467 -17.7466 -16.6489 -16.6449 -15.3766 -15.3706 -15.2467 -15.2467 -6.0899 -6.0884 -5.9486 -5.9385 -3.4923 -3.4875 -3.4585 -3.4541 -0.7562 -0.7405 -0.6854 -0.6744 0.5569 0.5722 0.6641 0.6725 1.4408 1.4450 2.0836 2.0895 2.3620 2.3725 2.4135 2.4202 12.6731 12.6953 12.7463 12.7530 12.9241 12.9321 13.3257 13.3269 Writing output data file BPO4.save init_run : 3.19s CPU 11.98s WALL ( 1 calls) electrons : 434.56s CPU 440.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.99s WALL ( 1 calls) Called by electrons: c_bands : 434.43s CPU 440.25s WALL ( 1 calls) v_of_rho : 0.14s CPU 1.04s WALL ( 1 calls) v_h : 0.08s CPU 0.15s WALL ( 1 calls) v_xc : 0.06s CPU 0.63s WALL ( 1 calls) newd : 0.23s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 378 calls) cegterg : 411.86s CPU 415.40s WALL ( 774 calls) Called by sum_band: Called by *egterg: h_psi : 181.85s CPU 188.86s WALL ( 14383 calls) s_psi : 13.68s CPU 14.68s WALL ( 14383 calls) g_psi : 0.33s CPU 0.45s WALL ( 13231 calls) cdiaghg : 163.04s CPU 161.20s WALL ( 13609 calls) cegterg:over : 34.09s CPU 29.56s WALL ( 13231 calls) cegterg:upda : 3.60s CPU 6.95s WALL ( 13231 calls) cegterg:last : 4.11s CPU 5.03s WALL ( 2357 calls) Called by h_psi: h_psi:vloc : 147.45s CPU 154.38s WALL ( 14383 calls) h_psi:vnl : 34.28s CPU 34.05s WALL ( 14383 calls) add_vuspsi : 7.29s CPU 11.60s WALL ( 14383 calls) General routines calbec : 26.95s CPU 22.35s WALL ( 14383 calls) fft : 0.47s CPU 1.29s WALL ( 19 calls) ffts : 0.04s CPU 0.52s WALL ( 4 calls) fftw : 138.68s CPU 144.25s WALL ( 1185336 calls) interpolate : 0.06s CPU 0.53s WALL ( 4 calls) davcio : 0.03s CPU 0.74s WALL ( 756 calls) Parallel routines fft_scatter : 95.19s CPU 98.43s WALL ( 1185359 calls) PWSCF : 8m 0.84s CPU 9m15.77s WALL This run was terminated on: 7:43:21 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=